smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](Oc1ccccc1)C(=O)N(CC)CC ZINC000004723561 343975476 /nfs/dbraw/zinc/97/54/76/343975476.db2.gz GBQNEVCYILKLFB-CYBMUJFWSA-N 0 0 235.327 2.712 50 0 BFAARN CCc1nc(C)c(CN(C)Cc2ccc(C)o2)[nH]1 ZINC000065408837 136210671 /nfs/dbraw/zinc/21/06/71/136210671.db2.gz LWBWARKRXXDTHV-UHFFFAOYSA-N 0 0 247.342 2.814 50 0 BFAARN CCC(CC)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000002764618 168335801 /nfs/dbraw/zinc/33/58/01/168335801.db2.gz UYYYTCYXIRSCDM-QWRGUYRKSA-N 0 0 211.349 2.927 50 0 BFAARN C[C@@H](NC(=O)Nc1ccccc1)c1ccncc1 ZINC000018172010 538920527 /nfs/dbraw/zinc/92/05/27/538920527.db2.gz PKWGRFWMJAFUEN-LLVKDONJSA-N 0 0 241.294 2.964 50 0 BFAARN CCC(CC)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000041194572 168334765 /nfs/dbraw/zinc/33/47/65/168334765.db2.gz YOPFGUNYXPWGOF-OLZOCXBDSA-N 0 0 239.359 2.593 50 0 BFAARN CC[C@H](NC(=O)c1ccc[nH]1)c1cccs1 ZINC000071759158 398159523 /nfs/dbraw/zinc/15/95/23/398159523.db2.gz WAQZPOFPSHCWJE-VIFPVBQESA-N 0 0 234.324 2.957 50 0 BFAARN Cc1occc1C(=O)NCc1ccc(F)c(C)c1 ZINC000010552054 178017307 /nfs/dbraw/zinc/01/73/07/178017307.db2.gz AQXLDEYJXACILV-UHFFFAOYSA-N 0 0 247.269 2.966 50 0 BFAARN Cc1cc(Cl)ncc1Br ZINC000002585534 178073569 /nfs/dbraw/zinc/07/35/69/178073569.db2.gz ISESOOISZHSENQ-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN Cc1cc(F)c(C=O)c(Br)c1 ZINC000090413203 178074063 /nfs/dbraw/zinc/07/40/63/178074063.db2.gz DQSGYGLIKSWXKJ-UHFFFAOYSA-N 0 0 217.037 2.709 50 0 BFAARN Cc1cc(Cl)c(Br)cc1N ZINC000035635950 178059428 /nfs/dbraw/zinc/05/94/28/178059428.db2.gz INBHOPYATVVLEM-UHFFFAOYSA-N 0 0 220.497 2.993 50 0 BFAARN Cc1cc(Cl)c(C(C)C)cc1OCC(N)=O ZINC000006127714 178060704 /nfs/dbraw/zinc/06/07/04/178060704.db2.gz XBGXIEPUCFRNLZ-UHFFFAOYSA-N 0 0 241.718 2.636 50 0 BFAARN Cc1cc(F)c(C=O)cc1Br ZINC000002526753 178074434 /nfs/dbraw/zinc/07/44/34/178074434.db2.gz OIPJSBVLNNCQPF-UHFFFAOYSA-N 0 0 217.037 2.709 50 0 BFAARN Cc1cc(Cl)nc(-c2ccncc2)n1 ZINC000008700462 178070965 /nfs/dbraw/zinc/07/09/65/178070965.db2.gz ZSRSIZQAKUIMTE-UHFFFAOYSA-N 0 0 205.648 2.500 50 0 BFAARN Cc1cc(Cl)n(C[C@H](O)c2ccccc2)n1 ZINC000034538935 178071098 /nfs/dbraw/zinc/07/10/98/178071098.db2.gz HIURBVRAAWHKNG-NSHDSACASA-N 0 0 236.702 2.579 50 0 BFAARN Cc1cc(Cn2cccn2)c2ccccc2n1 ZINC000090713959 178074702 /nfs/dbraw/zinc/07/47/02/178074702.db2.gz IEZLCIFXWCHWPH-UHFFFAOYSA-N 0 0 223.279 2.788 50 0 BFAARN Cc1cc(F)cc(I)c1 ZINC000055161520 178078201 /nfs/dbraw/zinc/07/82/01/178078201.db2.gz OIYMMFUTIUURQT-UHFFFAOYSA-N 0 0 236.027 2.739 50 0 BFAARN Cc1cc(F)ccc1-c1nc([C@@H]2CCOC2)no1 ZINC000096141440 178080415 /nfs/dbraw/zinc/08/04/15/178080415.db2.gz OUABYBHJOHADTF-SECBINFHSA-N 0 0 248.257 2.688 50 0 BFAARN Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000007751089 178089374 /nfs/dbraw/zinc/08/93/74/178089374.db2.gz SWODGBCPTQQURE-GMSGAONNSA-N 0 0 207.248 2.729 50 0 BFAARN Cc1cc(N(C)C)ccc1Br ZINC000005587575 178095534 /nfs/dbraw/zinc/09/55/34/178095534.db2.gz DPFVFQHTPIFECX-UHFFFAOYSA-N 0 0 214.106 2.824 50 0 BFAARN Cc1cc(N)c(N)c(Br)c1Cl ZINC000070461518 178103277 /nfs/dbraw/zinc/10/32/77/178103277.db2.gz CEODAIFKGQCMKC-UHFFFAOYSA-N 0 0 235.512 2.575 50 0 BFAARN Cc1cc(N)nc(Nc2ccccc2Cl)n1 ZINC000075156676 178109132 /nfs/dbraw/zinc/10/91/32/178109132.db2.gz XZYXEXPJZXRXGH-UHFFFAOYSA-N 0 0 234.690 2.764 50 0 BFAARN O=C1Nc2ccccc2O[C@@H]1c1ccccc1 ZINC000019046328 538923950 /nfs/dbraw/zinc/92/39/50/538923950.db2.gz OGXCANIFSVBLQV-CYBMUJFWSA-N 0 0 225.247 2.759 50 0 BFAARN Cc1cc(NC(=O)/C=C\c2cccs2)no1 ZINC000033311117 178123479 /nfs/dbraw/zinc/12/34/79/178123479.db2.gz SDVGJCDEGVELKR-PLNGDYQASA-N 0 0 234.280 2.696 50 0 BFAARN COc1c(Br)ccc(F)c1F ZINC000074934319 398209748 /nfs/dbraw/zinc/20/97/48/398209748.db2.gz DNXSLLIDTGLIHX-UHFFFAOYSA-N 0 0 223.016 2.736 50 0 BFAARN Cc1cc(NC(=O)Cc2ccccc2Cl)n[nH]1 ZINC000048602403 178134877 /nfs/dbraw/zinc/13/48/77/178134877.db2.gz MPMQEVHUYYHCHD-UHFFFAOYSA-N 0 0 249.701 2.553 50 0 BFAARN Cc1cc(NC(=O)N(C)Cc2ccccc2)no1 ZINC000012593020 178135193 /nfs/dbraw/zinc/13/51/93/178135193.db2.gz IGWCTGKRVNVEGX-UHFFFAOYSA-N 0 0 245.282 2.647 50 0 BFAARN Cc1cnc(OCc2ccccc2)c(O)c1 ZINC000261494536 398208220 /nfs/dbraw/zinc/20/82/20/398208220.db2.gz ZWYUVDAOVLSAES-UHFFFAOYSA-N 0 0 215.252 2.675 50 0 BFAARN CC=CC=CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000098000709 187328556 /nfs/dbraw/zinc/32/85/56/187328556.db2.gz DZJGJWIIBZDSOJ-ICWBMWKASA-N 0 0 229.279 2.960 50 0 BFAARN CCC(CC)C(=O)Nc1ncc(C)s1 ZINC000028225887 168343069 /nfs/dbraw/zinc/34/30/69/168343069.db2.gz YSOYWGVKKHGRMY-UHFFFAOYSA-N 0 0 212.318 2.826 50 0 BFAARN CC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000000612119 259300776 /nfs/dbraw/zinc/30/07/76/259300776.db2.gz CJAVXFGYSLQPDJ-UHFFFAOYSA-N 0 0 242.322 2.683 50 0 BFAARN CC/C=C/CC(=O)NCc1cncn1CC(C)C ZINC000252481060 187330568 /nfs/dbraw/zinc/33/05/68/187330568.db2.gz CHJJKVQDJDKQPP-AATRIKPKSA-N 0 0 249.358 2.512 50 0 BFAARN Cc1cc(NCc2cccc(F)c2)no1 ZINC000083344613 178172678 /nfs/dbraw/zinc/17/26/78/178172678.db2.gz HIKVCYYSRAPMQZ-UHFFFAOYSA-N 0 0 206.220 2.734 50 0 BFAARN Cc1cc(NCc2cccs2)nc(C)n1 ZINC000037498688 178174692 /nfs/dbraw/zinc/17/46/92/178174692.db2.gz AYLFWTOBXVVFIB-UHFFFAOYSA-N 0 0 219.313 2.767 50 0 BFAARN CC(=O)NC(=S)Nc1cccc2ccccc21 ZINC000000611168 259300688 /nfs/dbraw/zinc/30/06/88/259300688.db2.gz MWJMZBXJOYYWKI-UHFFFAOYSA-N 0 0 244.319 2.673 50 0 BFAARN Cc1cc(Nc2c(C)cccc2C)nc(N)n1 ZINC000072437909 178191744 /nfs/dbraw/zinc/19/17/44/178191744.db2.gz JYXILHXBJBTSGZ-UHFFFAOYSA-N 0 0 228.299 2.728 50 0 BFAARN Cc1n[nH]cc1Nc1cc(C)nc(C(C)C)n1 ZINC000089599298 178191935 /nfs/dbraw/zinc/19/19/35/178191935.db2.gz VWZKBNALJPVKFB-UHFFFAOYSA-N 0 0 231.303 2.684 50 0 BFAARN Cc1cc(OC(C)C)ncc1Br ZINC000090411442 178207713 /nfs/dbraw/zinc/20/77/13/178207713.db2.gz IUJPMHCTVQPXNJ-UHFFFAOYSA-N 0 0 230.105 2.940 50 0 BFAARN Cc1cc(OCc2ccco2)ccc1N ZINC000014630776 178213464 /nfs/dbraw/zinc/21/34/64/178213464.db2.gz ZDIKOLZXUHOYQZ-UHFFFAOYSA-N 0 0 203.241 2.749 50 0 BFAARN Cc1cc(Oc2cccnc2)ccc1N ZINC000014630895 178215288 /nfs/dbraw/zinc/21/52/88/178215288.db2.gz KRHGWXUKHRDJJT-UHFFFAOYSA-N 0 0 200.241 2.765 50 0 BFAARN Cc1nc(CSc2cc(C)ncn2)cs1 ZINC000049026060 178218015 /nfs/dbraw/zinc/21/80/15/178218015.db2.gz VOOJMNBYIBPYSV-UHFFFAOYSA-N 0 0 237.353 2.842 50 0 BFAARN COc1ccc(OCCCF)cc1C(C)=O ZINC000170593388 361765595 /nfs/dbraw/zinc/76/55/95/361765595.db2.gz YLQIUUGJMNYRFR-UHFFFAOYSA-N 0 0 226.247 2.636 50 0 BFAARN O=C(Nc1ccc(C2CC2)c(F)c1)[C@@H]1CCCO1 ZINC000170611444 361808071 /nfs/dbraw/zinc/80/80/71/361808071.db2.gz JIXWOHWEROWKHJ-ZDUSSCGKSA-N 0 0 249.285 2.821 50 0 BFAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H]1C=CC(=O)O1 ZINC000016036018 259306660 /nfs/dbraw/zinc/30/66/60/259306660.db2.gz URWJVUPZIGIVFZ-NRWUCQMLSA-N 0 0 238.327 2.903 50 0 BFAARN Cc1cc2c(cc1Br)C(=O)CC2 ZINC000149009953 178284568 /nfs/dbraw/zinc/28/45/68/178284568.db2.gz BDDRYMCLHQDWCG-UHFFFAOYSA-N 0 0 225.085 2.886 50 0 BFAARN O=C(c1cc(F)ccc1F)C(F)(F)F ZINC000100509098 398249391 /nfs/dbraw/zinc/24/93/91/398249391.db2.gz OLRYUAJEQRSZFH-UHFFFAOYSA-N 0 0 210.101 2.710 50 0 BFAARN CC(C)(C)OC(=O)Nc1cc(F)c(F)cc1N ZINC000076859312 398248808 /nfs/dbraw/zinc/24/88/08/398248808.db2.gz NYKTXVPUGXBLOK-UHFFFAOYSA-N 0 0 244.241 2.894 50 0 BFAARN Cc1cc2nccc(-c3cccs3)n2n1 ZINC000000153796 178303241 /nfs/dbraw/zinc/30/32/41/178303241.db2.gz NMBCDIVQGUULSR-UHFFFAOYSA-N 0 0 215.281 2.766 50 0 BFAARN Cc1ccc(-c2nc(CO)cs2)cc1 ZINC000021952696 178336229 /nfs/dbraw/zinc/33/62/29/178336229.db2.gz MUQRQDVYECSELB-UHFFFAOYSA-N 0 0 205.282 2.611 50 0 BFAARN Cc1ccc(C2N=NC(=S)N2C2CC2)cc1 ZINC000011692612 178341118 /nfs/dbraw/zinc/34/11/18/178341118.db2.gz FJLYADLOMRODGC-UHFFFAOYSA-N 0 0 231.324 2.877 50 0 BFAARN Cc1ccc(-c2nnc([C@H]3CCOC3)o2)cc1C ZINC000064556914 178342237 /nfs/dbraw/zinc/34/22/37/178342237.db2.gz APYRNFVNZYUASF-LBPRGKRZSA-N 0 0 244.294 2.857 50 0 BFAARN Cc1ccc(-n2cnnc2COC(C)C)cc1 ZINC000067757633 178347104 /nfs/dbraw/zinc/34/71/04/178347104.db2.gz HTFHHKYMCLQYKD-UHFFFAOYSA-N 0 0 231.299 2.501 50 0 BFAARN Cc1ccc(-n2nc(C(F)(F)F)cc2N)cc1 ZINC000041284621 178348092 /nfs/dbraw/zinc/34/80/92/178348092.db2.gz FXOHYQYYOOIJPE-UHFFFAOYSA-N 0 0 241.216 2.782 50 0 BFAARN Cc1ccc(-c2n[nH]c(=O)c3ccccc32)s1 ZINC000004025179 178331243 /nfs/dbraw/zinc/33/12/43/178331243.db2.gz UZWUFHDMUPKKQP-UHFFFAOYSA-N 0 0 242.303 2.960 50 0 BFAARN Cc1ccc(/C=C/C(=O)Nc2ccncc2)o1 ZINC000000474142 178354342 /nfs/dbraw/zinc/35/43/42/178354342.db2.gz KWRYENKPDGHCHL-SNAWJCMRSA-N 0 0 228.251 2.635 50 0 BFAARN Cc1cc(NC(=O)/C=C/c2ccc(C)cc2)no1 ZINC000000476540 178354895 /nfs/dbraw/zinc/35/48/95/178354895.db2.gz KTIRLSQWNNDYJT-BQYQJAHWSA-N 0 0 242.278 2.943 50 0 aggregator BFAARN Cc1ccc(/C=C/C(=O)n2cccn2)cc1 ZINC000004614262 178354973 /nfs/dbraw/zinc/35/49/73/178354973.db2.gz XGVMPRUZCIDYMA-BQYQJAHWSA-N 0 0 212.252 2.545 50 0 BFAARN C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccccc1F ZINC000032983397 538951305 /nfs/dbraw/zinc/95/13/05/538951305.db2.gz XNYJBCQPDXPRNK-QXEWZRGKSA-N 0 0 221.275 2.659 50 0 BFAARN C[C@@H](NC(=O)c1cccn1C)c1cccc(F)c1 ZINC000032983528 538951320 /nfs/dbraw/zinc/95/13/20/538951320.db2.gz NVGRZERCIFNGDM-SNVBAGLBSA-N 0 0 246.285 2.655 50 0 BFAARN Cc1ccc(C(=O)N(C)c2ccccc2)cn1 ZINC000032903931 178380610 /nfs/dbraw/zinc/38/06/10/178380610.db2.gz BFMCXEWNKFLILB-UHFFFAOYSA-N 0 0 226.279 2.667 50 0 BFAARN C[C@H](CC(=O)N1CCCCCCC1)n1ccnc1 ZINC000032720226 538950462 /nfs/dbraw/zinc/95/04/62/538950462.db2.gz WBJVMTLTVOETSZ-CYBMUJFWSA-N 0 0 249.358 2.627 50 0 BFAARN Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000033019159 178397831 /nfs/dbraw/zinc/39/78/31/178397831.db2.gz YXGZIGDPZVGKST-CHWSQXEVSA-N 0 0 247.338 2.553 50 0 BFAARN Cc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2C)c(C)c1 ZINC000045523788 178397977 /nfs/dbraw/zinc/39/79/77/178397977.db2.gz AZHVGEDVGQOFLE-CHWSQXEVSA-N 0 0 247.338 2.553 50 0 BFAARN Cc1ccc(C(=O)NCCc2ccc(F)cc2)o1 ZINC000009457451 178409740 /nfs/dbraw/zinc/40/97/40/178409740.db2.gz SULYDIQXKZVZRA-UHFFFAOYSA-N 0 0 247.269 2.700 50 0 BFAARN Cc1ccc(C(=O)NCc2ccc(C)s2)o1 ZINC000048354940 178415783 /nfs/dbraw/zinc/41/57/83/178415783.db2.gz RLVCMJADKDAEFW-UHFFFAOYSA-N 0 0 235.308 2.888 50 0 BFAARN CCC(CC)NC(=O)COc1ccc(C)cc1 ZINC000002774539 168376974 /nfs/dbraw/zinc/37/69/74/168376974.db2.gz PQUSOMLZCUZIKB-UHFFFAOYSA-N 0 0 235.327 2.679 50 0 BFAARN Nc1ccc(Br)c2cccnc12 ZINC000000078236 342672952 /nfs/dbraw/zinc/67/29/52/342672952.db2.gz GEABITRRZOHARP-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Nc1cccnc1Oc1ccccc1F ZINC000000093362 342674172 /nfs/dbraw/zinc/67/41/72/342674172.db2.gz IGBWSEKNQXELDI-UHFFFAOYSA-N 0 0 204.204 2.595 50 0 BFAARN COC(=O)c1ccsc1-n1c(C)ccc1C ZINC000000116028 342674993 /nfs/dbraw/zinc/67/49/93/342674993.db2.gz IHRKHWITDNTYIN-UHFFFAOYSA-N 0 0 235.308 2.942 50 0 BFAARN Cc1ccc(NC(=O)c2ccncc2)cc1C ZINC000000119449 342675383 /nfs/dbraw/zinc/67/53/83/342675383.db2.gz XZMUKYDKWANYBX-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN CCOc1ccc(NC(=O)c2ccncc2)cc1 ZINC000000119468 342675384 /nfs/dbraw/zinc/67/53/84/342675384.db2.gz DPZJCEADJIGIMS-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN Cc1ccc(SC(=O)c2ccno2)cc1 ZINC000000122114 342675385 /nfs/dbraw/zinc/67/53/85/342675385.db2.gz SPXHKMNZIRULBG-UHFFFAOYSA-N 0 0 219.265 2.916 50 0 BFAARN Cc1cc(-c2noc(-c3cccs3)n2)no1 ZINC000000123360 342675782 /nfs/dbraw/zinc/67/57/82/342675782.db2.gz ZUUUNTJTQZAHKC-UHFFFAOYSA-N 0 0 233.252 2.762 50 0 BFAARN CC(=O)Nc1ccc2sc(C)nc2c1 ZINC000000126077 342676014 /nfs/dbraw/zinc/67/60/14/342676014.db2.gz WWLOFBMXZGFSDJ-UHFFFAOYSA-N 0 0 206.270 2.563 50 0 BFAARN O=c1cc(-c2cccnc2)c2ccc(O)cc2o1 ZINC000000153917 342677432 /nfs/dbraw/zinc/67/74/32/342677432.db2.gz NXHVMYDCZZUVML-UHFFFAOYSA-N 0 0 239.230 2.561 50 0 BFAARN Cc1cc(C)nc(Sc2ccc(O)cc2)n1 ZINC000000154228 342677621 /nfs/dbraw/zinc/67/76/21/342677621.db2.gz FBCAKJCKGFHPEQ-UHFFFAOYSA-N 0 0 232.308 2.950 50 0 BFAARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2)cc1 ZINC000000165046 342678649 /nfs/dbraw/zinc/67/86/49/342678649.db2.gz ZRJPAELTYZGKSY-CQSZACIVSA-N 0 0 238.290 2.849 50 0 BFAARN Cc1cc(-c2csc(N)n2)cc(C)c1O ZINC000000168478 342678873 /nfs/dbraw/zinc/67/88/73/342678873.db2.gz WJPPIXIXQOGLGE-UHFFFAOYSA-N 0 0 220.297 2.715 50 0 BFAARN Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000000176919 342679232 /nfs/dbraw/zinc/67/92/32/342679232.db2.gz GFVJJNIIMSPNRZ-UHFFFAOYSA-N 0 0 227.223 2.579 50 0 BFAARN CCCc1cc(=O)oc2c(C)c(O)ccc12 ZINC000000186448 342679562 /nfs/dbraw/zinc/67/95/62/342679562.db2.gz USMHZBPZJSVWSJ-UHFFFAOYSA-N 0 0 218.252 2.760 50 0 biogenic BFAARN O=C1C=CC(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000000186459 342679570 /nfs/dbraw/zinc/67/95/70/342679570.db2.gz RXWKCYQPTDVVSI-UHFFFAOYSA-N 0 0 249.269 2.783 50 0 in-vivo BFAARN CCOc1ccc(C(=O)NCc2ccco2)cc1 ZINC000000183723 342679572 /nfs/dbraw/zinc/67/95/72/342679572.db2.gz VIFUNBNBLYQRGA-UHFFFAOYSA-N 0 0 245.278 2.608 50 0 BFAARN S=c1[nH]c2cnccc2n1Cc1ccccc1 ZINC000000197745 342679772 /nfs/dbraw/zinc/67/97/72/342679772.db2.gz KEHZLSFDKMWFHH-UHFFFAOYSA-N 0 0 241.319 2.768 50 0 BFAARN CCOc1cc(C)nc(-c2ccccc2)n1 ZINC000000209765 342680225 /nfs/dbraw/zinc/68/02/25/342680225.db2.gz GCSNQGTWRPRVBJ-UHFFFAOYSA-N 0 0 214.268 2.851 50 0 BFAARN Nc1ccc(Cl)c(NC(=O)c2ccco2)c1 ZINC000000236858 342680919 /nfs/dbraw/zinc/68/09/19/342680919.db2.gz KKOYVDRWJKRGRF-UHFFFAOYSA-N 0 0 236.658 2.768 50 0 BFAARN c1coc(-c2nnc(-c3ccco3)o2)c1 ZINC000000261855 342681702 /nfs/dbraw/zinc/68/17/02/342681702.db2.gz ZLERZJGQBHZNSR-UHFFFAOYSA-N 0 0 202.169 2.590 50 0 BFAARN CCOc1ccccc1C(=O)Nc1ccccn1 ZINC000000259026 342681723 /nfs/dbraw/zinc/68/17/23/342681723.db2.gz UTONUSPULUXBBQ-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN Cc1cc(=S)n(-c2ccccc2)n1C ZINC000000270761 342681933 /nfs/dbraw/zinc/68/19/33/342681933.db2.gz BKHQZVDOSQVERW-UHFFFAOYSA-N 0 0 204.298 2.854 50 0 BFAARN O=C(c1ccc(F)cc1)n1cnc2ccccc21 ZINC000000283244 342682193 /nfs/dbraw/zinc/68/21/93/342682193.db2.gz QOOOIURGGPOPNF-UHFFFAOYSA-N 0 0 240.237 2.864 50 0 BFAARN CC1(C)CCc2c(ccc3ccc(=O)oc32)O1 ZINC000000302323 342682899 /nfs/dbraw/zinc/68/28/99/342682899.db2.gz GXOXLDJHMAATRL-UHFFFAOYSA-N 0 0 230.263 2.897 50 0 BFAARN Fc1ccc(NCn2nnc3ccccc32)cc1 ZINC000000314777 342683087 /nfs/dbraw/zinc/68/30/87/342683087.db2.gz RSTJSEXNEQUVLD-UHFFFAOYSA-N 0 0 242.257 2.640 50 0 BFAARN O=C(CCc1ccccc1)Nc1nccs1 ZINC000000383449 342685588 /nfs/dbraw/zinc/68/55/88/342685588.db2.gz ZKZXZGXDSQTZDR-UHFFFAOYSA-N 0 0 232.308 2.714 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc(O)cc1 ZINC000000392725 342686118 /nfs/dbraw/zinc/68/61/18/342686118.db2.gz YRQMBQUMJFVZLF-UHFFFAOYSA-N 0 0 209.245 2.739 50 0 BFAARN O=C(Oc1cccc(O)c1)c1ccccc1 ZINC000000396112 342686213 /nfs/dbraw/zinc/68/62/13/342686213.db2.gz GDESWOTWNNGOMW-UHFFFAOYSA-N 0 0 214.220 2.611 50 0 BFAARN COC(=O)N(O)c1ccc(Cl)c(Cl)c1 ZINC000000400503 342686457 /nfs/dbraw/zinc/68/64/57/342686457.db2.gz FERYDKIBNPYXBS-UHFFFAOYSA-N 0 0 236.054 2.955 50 0 BFAARN CO[C@@H]1CC/C=C/CC/C=C/CC[C@@H]1O ZINC000000409826 342687224 /nfs/dbraw/zinc/68/72/24/342687224.db2.gz NZJRBFVCZFRVNJ-HZZSLJNBSA-N 0 0 210.317 2.829 50 0 BFAARN O=C(c1cc(-c2cccs2)on1)N1CCCC1 ZINC000000425687 342687235 /nfs/dbraw/zinc/68/72/35/342687235.db2.gz REFDYNSJUFCUKP-UHFFFAOYSA-N 0 0 248.307 2.639 50 0 BFAARN CCOc1c(C=O)cc(Cl)cc1OC ZINC000000465889 342687992 /nfs/dbraw/zinc/68/79/92/342687992.db2.gz WJRUGXKKHHNGBD-UHFFFAOYSA-N 0 0 214.648 2.560 50 0 BFAARN CC(C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000000458440 342688017 /nfs/dbraw/zinc/68/80/17/342688017.db2.gz UIDAHABSCBZRLG-UHFFFAOYSA-N 0 0 221.344 2.583 50 0 BFAARN Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1Cl ZINC000000476048 342688219 /nfs/dbraw/zinc/68/82/19/342688219.db2.gz PBPAQBVWROIUEM-NSHDSACASA-N 0 0 239.702 2.766 50 0 BFAARN Cc1ccc(C)n1NC(=O)c1ccc(F)cc1 ZINC000000479748 342688508 /nfs/dbraw/zinc/68/85/08/342688508.db2.gz FFSJXHPRRZHODG-UHFFFAOYSA-N 0 0 232.258 2.628 50 0 BFAARN CCC(CC)NC(=O)N[C@@H](C)c1ccccn1 ZINC000032809180 168379489 /nfs/dbraw/zinc/37/94/89/168379489.db2.gz WXKVNWFDUBVEFC-JTQLQIEISA-N 0 0 235.331 2.630 50 0 BFAARN CC(C)c1ccc(NC(=O)N2CCOCC2)cc1 ZINC000000030382 342669917 /nfs/dbraw/zinc/66/99/17/342669917.db2.gz VNFQCEIAWZAABJ-UHFFFAOYSA-N 0 0 248.326 2.674 50 0 BFAARN O=C(c1ccco1)c1coc2ccc(O)cc12 ZINC000000036643 342670633 /nfs/dbraw/zinc/67/06/33/342670633.db2.gz BAJVTNDELBXKDE-UHFFFAOYSA-N 0 0 228.203 2.962 50 0 biogenic BFAARN CC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000000035870 342670664 /nfs/dbraw/zinc/67/06/64/342670664.db2.gz BIHZHGIQNFROFX-UHFFFAOYSA-N 0 0 229.235 2.735 50 0 BFAARN CC1=C(C(=O)Nc2ccccc2)SCCO1 ZINC000000043478 342671229 /nfs/dbraw/zinc/67/12/29/342671229.db2.gz GYSSRZJIHXQEHQ-UHFFFAOYSA-N 0 0 235.308 2.620 50 0 metabolite,world BFAARN Cc1cccc(NC(=O)c2cccs2)n1 ZINC000000050231 342671248 /nfs/dbraw/zinc/67/12/48/342671248.db2.gz GGIZNOYFCDEJFV-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN O=C(c1ccccc1)N1CCc2ccccc21 ZINC000000046197 342671405 /nfs/dbraw/zinc/67/14/05/342671405.db2.gz NJZYEXUZNJGGPH-UHFFFAOYSA-N 0 0 223.275 2.890 50 0 BFAARN OCc1ccccc1CNc1ccc(F)cc1 ZINC000000054712 342671504 /nfs/dbraw/zinc/67/15/04/342671504.db2.gz OXUUYYCYGDOZCD-UHFFFAOYSA-N 0 0 231.270 2.930 50 0 BFAARN O=C(c1cc(-c2ccccc2)on1)N1CCCC1 ZINC000000614622 342690946 /nfs/dbraw/zinc/69/09/46/342690946.db2.gz JDBDMIPWPHEKEQ-UHFFFAOYSA-N 0 0 242.278 2.578 50 0 BFAARN CCC(CC)NC(=O)N[C@H](C)c1ccccn1 ZINC000032809181 168381029 /nfs/dbraw/zinc/38/10/29/168381029.db2.gz WXKVNWFDUBVEFC-SNVBAGLBSA-N 0 0 235.331 2.630 50 0 BFAARN O=C(OCc1cncs1)C1CCCCC1 ZINC000001403729 342699975 /nfs/dbraw/zinc/69/99/75/342699975.db2.gz LXGXMSPFDJJEJC-UHFFFAOYSA-N 0 0 225.313 2.767 50 0 BFAARN Nc1nc(Cl)cc(Sc2cccs2)n1 ZINC000001398032 342700125 /nfs/dbraw/zinc/70/01/25/342700125.db2.gz NBBMAUACGWECEG-UHFFFAOYSA-N 0 0 243.744 2.925 50 0 BFAARN CCn1nccc1C(=O)Nc1cc(F)ccc1C ZINC000001428675 342700529 /nfs/dbraw/zinc/70/05/29/342700529.db2.gz YNGOQTICLNSZJL-UHFFFAOYSA-N 0 0 247.273 2.603 50 0 BFAARN Nc1ccn(Cc2cccc3ccccc32)n1 ZINC000001428539 342700627 /nfs/dbraw/zinc/70/06/27/342700627.db2.gz IBRKNXJSSJAWEE-UHFFFAOYSA-N 0 0 223.279 2.667 50 0 BFAARN O=C1CCc2ccc(Br)cc21 ZINC000001438946 342701206 /nfs/dbraw/zinc/70/12/06/342701206.db2.gz SEQHEDQNODAFIU-UHFFFAOYSA-N 0 0 211.058 2.578 50 0 in-vitro BFAARN COC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000001456882 342701506 /nfs/dbraw/zinc/70/15/06/342701506.db2.gz VRESKQKAUDDRQK-UHFFFAOYSA-N 0 0 233.311 2.708 50 0 BFAARN Cc1ccc(C(=O)c2ccc(O)cc2)cc1 ZINC000001587596 342704438 /nfs/dbraw/zinc/70/44/38/342704438.db2.gz HPJMSFQWRMTUHT-UHFFFAOYSA-N 0 0 212.248 2.932 50 0 BFAARN COc1cc(C)ccc1I ZINC000001606227 342705666 /nfs/dbraw/zinc/70/56/66/342705666.db2.gz LVDHTYMXUHPTOP-UHFFFAOYSA-N 0 0 248.063 2.608 50 0 BFAARN CCCCCS(=O)(=O)CCCCC ZINC000001690090 342709439 /nfs/dbraw/zinc/70/94/39/342709439.db2.gz NLUGCAKOZAODBF-UHFFFAOYSA-N 0 0 206.351 2.782 50 0 BFAARN CCCCCOC(=O)c1ccc(N)cc1 ZINC000001695472 342709700 /nfs/dbraw/zinc/70/97/00/342709700.db2.gz VKYWCHMXHQTCJQ-UHFFFAOYSA-N 0 0 207.273 2.616 50 0 BFAARN O=C(c1c[nH]c2ccccc12)c1cccnc1 ZINC000001727140 342711311 /nfs/dbraw/zinc/71/13/11/342711311.db2.gz YRXSFCQXFHXFGU-UHFFFAOYSA-N 0 0 222.247 2.794 50 0 BFAARN Cn1ccc2cc(Br)ccc21 ZINC000001727148 342711429 /nfs/dbraw/zinc/71/14/29/342711429.db2.gz SBOITLSQLQGSLO-UHFFFAOYSA-N 0 0 210.074 2.941 50 0 BFAARN Clc1nc(Cl)nc(Oc2ccccc2)n1 ZINC000002037661 342715153 /nfs/dbraw/zinc/71/51/53/342715153.db2.gz ACMVCGAZNQJQFJ-UHFFFAOYSA-N 0 0 242.065 2.971 50 0 BFAARN Nc1c(F)c(F)c(Br)c(F)c1F ZINC000002167091 342716504 /nfs/dbraw/zinc/71/65/04/342716504.db2.gz LZUYSMHNMFCPBF-UHFFFAOYSA-N 0 0 243.985 2.588 50 0 BFAARN Fc1ccc(CNC2N=NC(=S)S2)cc1 ZINC000004218705 342744644 /nfs/dbraw/zinc/74/46/44/342744644.db2.gz NLVPLBFNQFSENM-UHFFFAOYSA-N 0 0 241.316 2.578 50 0 BFAARN CCOc1cc(OCC)c2c(C)cc(=O)oc2c1 ZINC000004309823 342746430 /nfs/dbraw/zinc/74/64/30/342746430.db2.gz FQDLUZABRJIJMO-UHFFFAOYSA-N 0 0 248.278 2.899 50 0 biogenic BFAARN Nc1cccc(OCc2ccccc2F)c1 ZINC000004418085 342747653 /nfs/dbraw/zinc/74/76/53/342747653.db2.gz XCZQQCWDSILDHL-UHFFFAOYSA-N 0 0 217.243 2.987 50 0 BFAARN Cc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000004529681 342748471 /nfs/dbraw/zinc/74/84/71/342748471.db2.gz OLLDPPSRICPSTA-UHFFFAOYSA-N 0 0 200.163 2.890 50 0 BFAARN NN=c1[nH]c2c(s1)c(Cl)ccc2Cl ZINC000002455665 342721072 /nfs/dbraw/zinc/72/10/72/342721072.db2.gz RRAGSBRZTNXWEH-UHFFFAOYSA-N 0 0 234.111 2.889 50 0 aggregator BFAARN CCCn1c2ccccc2nc1SCCO ZINC000002474075 342721083 /nfs/dbraw/zinc/72/10/83/342721083.db2.gz NHDYUULTDHOCKB-UHFFFAOYSA-N 0 0 236.340 2.531 50 0 BFAARN Nc1nc2c(cccc2Br)s1 ZINC000002455732 342721103 /nfs/dbraw/zinc/72/11/03/342721103.db2.gz FVMCARDEQKVVIS-UHFFFAOYSA-N 0 0 229.102 2.641 50 0 BFAARN O=C(c1ccccc1Cl)N1CCCCC1 ZINC000002485672 342721333 /nfs/dbraw/zinc/72/13/33/342721333.db2.gz RGFPLHGRASGMSG-UHFFFAOYSA-N 0 0 223.703 2.966 50 0 BFAARN Nc1ccnc2c(Br)cccc12 ZINC000002524458 342722468 /nfs/dbraw/zinc/72/24/68/342722468.db2.gz IYDRVHGHAXAOGC-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN COc1c(F)cc(C(C)=O)cc1Cl ZINC000002527785 342722699 /nfs/dbraw/zinc/72/26/99/342722699.db2.gz NRCCXQQIBNFBRT-UHFFFAOYSA-N 0 0 202.612 2.690 50 0 BFAARN Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000002558391 342724019 /nfs/dbraw/zinc/72/40/19/342724019.db2.gz HDCJOTJJYUOQLE-UHFFFAOYSA-N 0 0 242.109 2.820 50 0 BFAARN Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 ZINC000002558387 342724115 /nfs/dbraw/zinc/72/41/15/342724115.db2.gz WBQSPUUQWRMCAY-UHFFFAOYSA-N 0 0 242.109 2.820 50 0 BFAARN COC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000002584613 342725894 /nfs/dbraw/zinc/72/58/94/342725894.db2.gz QJOOIMSFFIUFKX-VDTYLAMSSA-N 0 0 223.099 2.751 50 0 BFAARN FC(F)c1cc(C(F)F)n2nccc2n1 ZINC000002735424 342726787 /nfs/dbraw/zinc/72/67/87/342726787.db2.gz ULYLMIJDFWJOBH-UHFFFAOYSA-N 0 0 219.141 2.605 50 0 BFAARN CC(C)C(=O)Nc1ccccc1NC(=O)C(C)C ZINC000002748665 342727081 /nfs/dbraw/zinc/72/70/81/342727081.db2.gz QUWSSMRWGJXHNU-UHFFFAOYSA-N 0 0 248.326 2.876 50 0 BFAARN Cc1nc2sc3c(c2c(N(C)C)n1)CCCC3 ZINC000002818242 342727317 /nfs/dbraw/zinc/72/73/17/342727317.db2.gz LSXRVNZCCFTPRP-UHFFFAOYSA-N 0 0 247.367 2.945 50 0 BFAARN CCOc1cc(C=O)ccc1OCC(C)C ZINC000002799450 342727389 /nfs/dbraw/zinc/72/73/89/342727389.db2.gz BVHHJYYHHQIPCB-UHFFFAOYSA-N 0 0 222.284 2.933 50 0 BFAARN Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C[C@@H]2C ZINC000002848375 342727629 /nfs/dbraw/zinc/72/76/29/342727629.db2.gz WDCRHFDWGSWJCT-VIFPVBQESA-N 0 0 243.306 2.810 50 0 BFAARN CC(C)CNC(=O)CCSc1ccccc1 ZINC000002958939 342728825 /nfs/dbraw/zinc/72/88/25/342728825.db2.gz YRHRKHQVZALESQ-UHFFFAOYSA-N 0 0 237.368 2.941 50 0 BFAARN Cc1ccc(NC2N=NC(=S)S2)cc1 ZINC000003063361 342730010 /nfs/dbraw/zinc/73/00/10/342730010.db2.gz UDHJCFUNVNFOLP-UHFFFAOYSA-N 0 0 223.326 2.879 50 0 BFAARN COc1cc(C2SCCS2)ccc1O ZINC000003357026 342732876 /nfs/dbraw/zinc/73/28/76/342732876.db2.gz QMTIOHSDTHZCIL-UHFFFAOYSA-N 0 0 228.338 2.879 50 0 in-vitro BFAARN Nc1ccc2c(cnn2Cc2ccccc2)c1 ZINC000003614913 342735100 /nfs/dbraw/zinc/73/51/00/342735100.db2.gz BQUSMTPKYUILPD-UHFFFAOYSA-N 0 0 223.279 2.667 50 0 BFAARN Nc1ccc(-c2ccc(N)c(F)c2)cc1F ZINC000003644841 342735440 /nfs/dbraw/zinc/73/54/40/342735440.db2.gz LVNPGQZSPDFZNC-UHFFFAOYSA-N 0 0 220.222 2.796 50 0 BFAARN Cc1[nH]c2ccccc2c1[C@@H](O)c1ccncc1 ZINC000003953517 342739998 /nfs/dbraw/zinc/73/99/98/342739998.db2.gz YIFMJHZIASZRQG-HNNXBMFYSA-N 0 0 238.290 2.953 50 0 BFAARN Cc1cc(C[NH2+][C@@H]2CCC23CCCC3)on1 ZINC000189113339 346859631 /nfs/dbraw/zinc/85/96/31/346859631.db2.gz IWLDMABZMMNTPX-GFCCVEGCSA-N 0 0 220.316 2.795 50 0 BFAARN CCCCN(C(=O)[C@@H]1CCCO1)c1ccccc1 ZINC000004868208 342753587 /nfs/dbraw/zinc/75/35/87/342753587.db2.gz QSNLLCFMSBUQLM-AWEZNQCLSA-N 0 0 247.338 2.999 50 0 BFAARN CC(C)c1[nH]nc2c1C(=O)c1ccccc1-2 ZINC000005189452 342759821 /nfs/dbraw/zinc/75/98/21/342759821.db2.gz NPTFUJRPAPQBTP-UHFFFAOYSA-N 0 0 212.252 2.745 50 0 BFAARN CCC1(c2c[nH]cn2)Cc2ccccc2C1 ZINC000005424171 342763955 /nfs/dbraw/zinc/76/39/55/342763955.db2.gz HSWPZIDYAHLZDD-UHFFFAOYSA-N 0 0 212.296 2.856 50 0 investigational BFAARN Cc1cc(=O)n(-c2cc(Cl)ccc2Cl)[nH]1 ZINC000006474420 342778184 /nfs/dbraw/zinc/77/81/84/342778184.db2.gz MSNMEZSDLXYGAB-UHFFFAOYSA-N 0 0 243.093 2.781 50 0 BFAARN CC(C)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000005497334 342764820 /nfs/dbraw/zinc/76/48/20/342764820.db2.gz PZGUVWCSOIMHSW-UHFFFAOYSA-N 0 0 245.244 2.978 50 0 BFAARN Cc1ccc2ncnc(N3CCCC3)c2c1 ZINC000005754606 342769426 /nfs/dbraw/zinc/76/94/26/342769426.db2.gz IZRJNBWAAFLODW-UHFFFAOYSA-N 0 0 213.284 2.538 50 0 BFAARN CCCCC(=O)Nc1ccc(C)cc1N ZINC000005792205 342769947 /nfs/dbraw/zinc/76/99/47/342769947.db2.gz WPIHMSGYYXMALX-UHFFFAOYSA-N 0 0 206.289 2.706 50 0 BFAARN COC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000006070134 342773276 /nfs/dbraw/zinc/77/32/76/342773276.db2.gz YWGAULPFWIQKRB-QMMMGPOBSA-N 0 0 228.675 2.589 50 0 BFAARN O=C(c1c(F)cccc1Cl)N1CCCC1 ZINC000004750448 342751540 /nfs/dbraw/zinc/75/15/40/342751540.db2.gz CBETWPJDKRREOR-UHFFFAOYSA-N 0 0 227.666 2.715 50 0 BFAARN CC[C@H]1CCc2c(=O)[nH]c3ccccc3c2O1 ZINC000008665927 342801840 /nfs/dbraw/zinc/80/18/40/342801840.db2.gz AYHZSOKNJRWFHZ-VIFPVBQESA-N 0 0 229.279 2.632 50 0 BFAARN CCCCOc1ccc(C2N=NC(=S)N2)cc1 ZINC000008680978 342801888 /nfs/dbraw/zinc/80/18/88/342801888.db2.gz NFMIPYFWIZWEPH-UHFFFAOYSA-N 0 0 249.339 2.939 50 0 BFAARN CC(C)(C)OC(=O)c1ccc(Cl)nc1 ZINC000008698112 342802376 /nfs/dbraw/zinc/80/23/76/342802376.db2.gz OFRLMTIBUAXBGV-UHFFFAOYSA-N 0 0 213.664 2.690 50 0 BFAARN CC(C)c1nc(=S)[nH]n1-c1ccccc1 ZINC000006649954 342780420 /nfs/dbraw/zinc/78/04/20/342780420.db2.gz KISPEEHXDREFHE-UHFFFAOYSA-N 0 0 219.313 2.679 50 0 BFAARN Nc1cccc(OCc2cccc(F)c2)c1 ZINC000006678592 342780826 /nfs/dbraw/zinc/78/08/26/342780826.db2.gz NWPMKTZBYHTHFA-UHFFFAOYSA-N 0 0 217.243 2.987 50 0 BFAARN CCCCS(=O)(=O)Nc1cc(F)ccc1C ZINC000006698631 342781127 /nfs/dbraw/zinc/78/11/27/342781127.db2.gz FIHYGKMAFKTXCB-UHFFFAOYSA-N 0 0 245.319 2.676 50 0 BFAARN Cc1cnc(NC(=O)Cc2ccccc2C)s1 ZINC000006698754 342781156 /nfs/dbraw/zinc/78/11/56/342781156.db2.gz JPOHCQFSEBMYGM-UHFFFAOYSA-N 0 0 246.335 2.941 50 0 BFAARN CS[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000042814821 342782915 /nfs/dbraw/zinc/78/29/15/342782915.db2.gz FSNKRZAOVXADMR-MRVPVSSYSA-N 0 0 227.304 2.824 50 0 BFAARN Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)on1 ZINC000040473410 538971422 /nfs/dbraw/zinc/97/14/22/538971422.db2.gz RNGUBFLCWHVTMN-RYUDHWBXSA-N 0 0 248.326 2.635 50 0 BFAARN Cc1ccc(C(=O)Nc2cccnc2)cc1C ZINC000000235964 178437881 /nfs/dbraw/zinc/43/78/81/178437881.db2.gz IYMRCTVGDIKWJW-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN CC[C@@H](C)NC(=O)CSCc1ccccc1 ZINC000006933905 342786534 /nfs/dbraw/zinc/78/65/34/342786534.db2.gz CAYJEHBMEUYIQZ-LLVKDONJSA-N 0 0 237.368 2.835 50 0 BFAARN Cc1ccc(N)cc1NC(=O)C1CCCC1 ZINC000008703463 342802898 /nfs/dbraw/zinc/80/28/98/342802898.db2.gz BFFNAMWQYJGZFB-UHFFFAOYSA-N 0 0 218.300 2.706 50 0 BFAARN Cc1ccc(Cc2cnc(N)s2)cc1C ZINC000008412703 342798943 /nfs/dbraw/zinc/79/89/43/342798943.db2.gz KISOHOLEJPVTJI-UHFFFAOYSA-N 0 0 218.325 2.933 50 0 BFAARN Cc1cc(C(=O)NC[C@H](C)c2ccccc2)no1 ZINC000043700908 342799008 /nfs/dbraw/zinc/79/90/08/342799008.db2.gz CGLKDCAKPXKWQC-JTQLQIEISA-N 0 0 244.294 2.517 50 0 BFAARN CC(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000009115285 342808349 /nfs/dbraw/zinc/80/83/49/342808349.db2.gz NAQTUSJOIRQDLC-ZDUSSCGKSA-N 0 0 245.326 2.786 50 0 BFAARN C[C@@H](Nc1ncccn1)c1ccccc1F ZINC000042200441 538977303 /nfs/dbraw/zinc/97/73/03/538977303.db2.gz ZGWNMSCDGZNKSJ-SECBINFHSA-N 0 0 217.247 2.789 50 0 BFAARN O=C(CCn1ccnc1)Nc1ccccc1Cl ZINC000008746684 342804319 /nfs/dbraw/zinc/80/43/19/342804319.db2.gz HWCCQVCWMUFITQ-UHFFFAOYSA-N 0 0 249.701 2.565 50 0 BFAARN C[C@H](N)c1ncc(-c2ccc(F)cc2)o1 ZINC000011587064 342841535 /nfs/dbraw/zinc/84/15/35/342841535.db2.gz RKQGJMPPTDSKJB-ZETCQYMHSA-N 0 0 206.220 2.500 50 0 BFAARN Cc1cc(Br)c(C)cc1O ZINC000011949628 342844842 /nfs/dbraw/zinc/84/48/42/342844842.db2.gz LZKYUWXZSBYMSA-UHFFFAOYSA-N 0 0 201.063 2.772 50 0 BFAARN CON(C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000012336372 342849341 /nfs/dbraw/zinc/84/93/41/342849341.db2.gz HGNZLPFQRSFKBT-UHFFFAOYSA-N 0 0 234.082 2.627 50 0 BFAARN Clc1nccc(OCc2ccccc2)n1 ZINC000012359391 342849803 /nfs/dbraw/zinc/84/98/03/342849803.db2.gz SNCGVIVLUWJDQN-UHFFFAOYSA-N 0 0 220.659 2.709 50 0 BFAARN Cn1ccc(-c2cccc(Br)c2)n1 ZINC000012370659 342850384 /nfs/dbraw/zinc/85/03/84/342850384.db2.gz PNVHBUUFMMMKBR-UHFFFAOYSA-N 0 0 237.100 2.850 50 0 BFAARN O=C1CCCc2cccc(Br)c21 ZINC000012649037 342855898 /nfs/dbraw/zinc/85/58/98/342855898.db2.gz DIYWCGZFCFYCIE-UHFFFAOYSA-N 0 0 225.085 2.968 50 0 BFAARN c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000012404822 342851520 /nfs/dbraw/zinc/85/15/20/342851520.db2.gz ROXYDJTVGNJDIO-UHFFFAOYSA-N 0 0 205.238 2.539 50 0 BFAARN CC(C)c1n[nH]c(=S)n1Cc1ccco1 ZINC000012505075 342852777 /nfs/dbraw/zinc/85/27/77/342852777.db2.gz QBWGYOBIJCHIGP-UHFFFAOYSA-N 0 0 223.301 2.705 50 0 BFAARN Cc1[nH]c2ccccc2c1C(=O)N1CCCC1 ZINC000012914224 342861113 /nfs/dbraw/zinc/86/11/13/342861113.db2.gz WQLZFUJCOLVBQR-UHFFFAOYSA-N 0 0 228.295 2.712 50 0 BFAARN C[C@H]1C[C@H]1C(=O)Nc1ccccc1N1CCCC1 ZINC000032678859 342861156 /nfs/dbraw/zinc/86/11/56/342861156.db2.gz MHRBMOUCOGEZLR-NWDGAFQWSA-N 0 0 244.338 2.881 50 0 BFAARN O=C(c1csc2c1CCCC2)N1CCCC1 ZINC000032667740 342861564 /nfs/dbraw/zinc/86/15/64/342861564.db2.gz UCIDWVAKVKFAKP-UHFFFAOYSA-N 0 0 235.352 2.863 50 0 BFAARN O=C(c1ccccn1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000032819472 342879125 /nfs/dbraw/zinc/87/91/25/342879125.db2.gz XFQBZGGPDQQECT-OCCSQVGLSA-N 0 0 244.338 2.876 50 0 BFAARN Cc1ccc2c3c([nH]c2c1C)-c1nonc1CC3 ZINC000013126464 342863907 /nfs/dbraw/zinc/86/39/07/342863907.db2.gz YHDDUKWGCJZQGG-UHFFFAOYSA-N 0 0 239.278 2.933 50 0 BFAARN CONC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000014247286 342878607 /nfs/dbraw/zinc/87/86/07/342878607.db2.gz XZOCAOGBQRLSKV-UHFFFAOYSA-N 0 0 243.262 2.770 50 0 BFAARN Cc1cccc(NC(=S)NC2CCCC2)n1 ZINC000013518880 342867289 /nfs/dbraw/zinc/86/72/89/342867289.db2.gz DCMQGMUVRWPDQQ-UHFFFAOYSA-N 0 0 235.356 2.619 50 0 BFAARN CCOc1ccc(C(=O)NC(C)(C)C)cc1C ZINC000013582204 342867802 /nfs/dbraw/zinc/86/78/02/342867802.db2.gz CLKKIGLUDZQOHN-UHFFFAOYSA-N 0 0 235.327 2.922 50 0 BFAARN CCCc1ccc(C(=O)Nc2ccon2)cc1 ZINC000013745866 342871182 /nfs/dbraw/zinc/87/11/82/342871182.db2.gz ZXIFPSZQIOFCFL-UHFFFAOYSA-N 0 0 230.267 2.879 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2ccc(N)cc21 ZINC000014000351 342875619 /nfs/dbraw/zinc/87/56/19/342875619.db2.gz NWVDKZOUGBMLIH-UHFFFAOYSA-N 0 0 234.299 2.566 50 0 BFAARN CSc1ccccc1C(=O)Nc1cc(C)on1 ZINC000004517438 342878347 /nfs/dbraw/zinc/87/83/47/342878347.db2.gz VTWUUSWQOLEWRX-UHFFFAOYSA-N 0 0 248.307 2.957 50 0 BFAARN C[C@@H](O)c1cccc(OC(F)(F)F)c1 ZINC000015442962 342896317 /nfs/dbraw/zinc/89/63/17/342896317.db2.gz BWANKNAGTRWECQ-ZCFIWIBFSA-N 0 0 206.163 2.639 50 0 BFAARN Cc1ccncc1CNc1ccc(F)cn1 ZINC000167307826 136245289 /nfs/dbraw/zinc/24/52/89/136245289.db2.gz NMFSZINEYZSBGY-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN CC(C)[C@@H](SCc1ccco1)C(=O)N(C)C ZINC000096416312 398317820 /nfs/dbraw/zinc/31/78/20/398317820.db2.gz UVKDURLFPXKSPW-LLVKDONJSA-N 0 0 241.356 2.626 50 0 BFAARN CCCCC(=O)Nc1ccc(NC(=O)NC)cc1 ZINC000032903369 342899078 /nfs/dbraw/zinc/89/90/78/342899078.db2.gz DIDBUVWSWRGVBB-UHFFFAOYSA-N 0 0 249.314 2.567 50 0 BFAARN CC(C)CNC(=O)N[C@H]1CCc2ccccc21 ZINC000032843768 342882111 /nfs/dbraw/zinc/88/21/11/342882111.db2.gz BBNHWBNPGODARN-ZDUSSCGKSA-N 0 0 232.327 2.629 50 0 BFAARN Cc1occc1Sc1nccn(C2CC2)c1=O ZINC000133042324 398321572 /nfs/dbraw/zinc/32/15/72/398321572.db2.gz LTJKPPKXUTYCRB-UHFFFAOYSA-N 0 0 248.307 2.631 50 0 BFAARN Cc1ccc(N)c(OC[C@@H]2CCCCO2)c1 ZINC000014629712 342882888 /nfs/dbraw/zinc/88/28/88/342882888.db2.gz QRYOGNRUZOGJEX-NSHDSACASA-N 0 0 221.300 2.525 50 0 BFAARN CONC(=O)c1ccccc1Oc1ccccc1 ZINC000032848396 342883416 /nfs/dbraw/zinc/88/34/16/342883416.db2.gz LJWJCEYDTVKNNS-UHFFFAOYSA-N 0 0 243.262 2.770 50 0 BFAARN CSCCC(=O)Nc1cc(C)cc(C)c1 ZINC000012852238 398313979 /nfs/dbraw/zinc/31/39/79/398313979.db2.gz DDKDQKWFYAQQID-UHFFFAOYSA-N 0 0 223.341 2.995 50 0 BFAARN Nc1cc2ccccc2nc1Br ZINC000014982022 342889938 /nfs/dbraw/zinc/88/99/38/342889938.db2.gz UWTXZKYZHSEFIT-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN O=c1[nH]c2cc(Cl)cc(Cl)c2s1 ZINC000014985050 342890135 /nfs/dbraw/zinc/89/01/35/342890135.db2.gz RUNPTHCODOLAQS-UHFFFAOYSA-N 0 0 220.080 2.896 50 0 BFAARN Clc1ccc2c(Br)n[nH]c2c1 ZINC000014983400 342890191 /nfs/dbraw/zinc/89/01/91/342890191.db2.gz FFBNJOBVRVWUTM-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN COC(=O)C1(c2ccccc2Cl)CC1 ZINC000015014928 342890640 /nfs/dbraw/zinc/89/06/40/342890640.db2.gz SNTYXFDCYIKTGB-UHFFFAOYSA-N 0 0 210.660 2.545 50 0 BFAARN CCC1CCC(NC(=O)c2cccnc2)CC1 ZINC000016605638 342913587 /nfs/dbraw/zinc/91/35/87/342913587.db2.gz WGSQCLDFCYMCAE-UHFFFAOYSA-N 0 0 232.327 2.780 50 0 BFAARN Cc1cc(C(=O)NC(C)(C)CC(C)(C)C)no1 ZINC000016602529 342913328 /nfs/dbraw/zinc/91/33/28/342913328.db2.gz BXLXZTDWPKOMPF-UHFFFAOYSA-N 0 0 238.331 2.928 50 0 BFAARN CC[C@@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000048199730 342900370 /nfs/dbraw/zinc/90/03/70/342900370.db2.gz TXHYQOIEZWGOTE-OLZOCXBDSA-N 0 0 239.359 2.594 50 0 BFAARN Cc1cc(C(=O)N2CCCC2)c2ccccc2n1 ZINC000017356320 342924399 /nfs/dbraw/zinc/92/43/99/342924399.db2.gz XTDYUIOIHWSDIY-UHFFFAOYSA-N 0 0 240.306 2.779 50 0 BFAARN Cc1nnc(NC(=O)Nc2ccc(C)cc2)s1 ZINC000017057050 342919990 /nfs/dbraw/zinc/91/99/90/342919990.db2.gz JNNWKCKKOBSWBA-UHFFFAOYSA-N 0 0 248.311 2.799 50 0 BFAARN Cc1ccc(C)c(-c2nc([C@@H]3CCOC3)no2)c1 ZINC000096162417 178461848 /nfs/dbraw/zinc/46/18/48/178461848.db2.gz UYQKERXORMFIAN-LLVKDONJSA-N 0 0 244.294 2.857 50 0 BFAARN CSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000018004728 342929885 /nfs/dbraw/zinc/92/98/85/342929885.db2.gz YXVAYMRODBYXIQ-UHFFFAOYSA-N 0 0 225.704 2.847 50 0 in-vivo BFAARN Cc1cnc(NC(=O)C[C@H]2C=CCC2)s1 ZINC000010624698 342930300 /nfs/dbraw/zinc/93/03/00/342930300.db2.gz JLVRWWIILDGSET-VIFPVBQESA-N 0 0 222.313 2.746 50 0 BFAARN CC(C)C(=O)NCCSCc1ccsc1 ZINC000040480836 398329998 /nfs/dbraw/zinc/32/99/98/398329998.db2.gz VDPAFKUNTVKCRN-UHFFFAOYSA-N 0 0 243.397 2.754 50 0 BFAARN N#CNc1nccc(-c2ccccc2Cl)n1 ZINC000032105328 398328625 /nfs/dbraw/zinc/32/86/25/398328625.db2.gz IGWDKOSRDZSYCW-UHFFFAOYSA-N 0 0 230.658 2.690 50 0 BFAARN Cc1ccc(C)c(C(=O)OC2CCOCC2)c1 ZINC000097230286 178467425 /nfs/dbraw/zinc/46/74/25/178467425.db2.gz SRMUQABDABQGQR-UHFFFAOYSA-N 0 0 234.295 2.639 50 0 BFAARN COc1cc(C=O)ccc1OCC=C(C)C ZINC000019094398 342941758 /nfs/dbraw/zinc/94/17/58/342941758.db2.gz GELQTZLDJBOCEO-UHFFFAOYSA-N 0 0 220.268 2.853 50 0 BFAARN O=C1CCCCC1=C([O-])c1ccccc1 ZINC000019202593 342943380 /nfs/dbraw/zinc/94/33/80/342943380.db2.gz YTVQIZRDLKWECQ-NSHDSACASA-N 0 0 202.253 2.629 50 0 BFAARN O=C(CCc1nc(C2CC2)no1)c1ccccc1 ZINC000075609932 398343809 /nfs/dbraw/zinc/34/38/09/398343809.db2.gz BARNDZLQWLVVPJ-UHFFFAOYSA-N 0 0 242.278 2.763 50 0 BFAARN CCC1=N[C@@H](c2ccc(O)cc2)N(O)C1(C)C ZINC000019607398 342951855 /nfs/dbraw/zinc/95/18/55/342951855.db2.gz DPNDGTQEKNIWJD-GFCCVEGCSA-N 0 0 234.299 2.725 50 0 BFAARN Cn1c(Cl)nnc1-c1ccc(Cl)cc1 ZINC000019821696 342958833 /nfs/dbraw/zinc/95/88/33/342958833.db2.gz YOUFCRUCXRNFGG-UHFFFAOYSA-N 0 0 228.082 2.789 50 0 BFAARN Nc1ccc(F)c(NC(=O)c2ccccc2F)c1 ZINC000019736629 342955317 /nfs/dbraw/zinc/95/53/17/342955317.db2.gz KCXQRGIPOYYMAY-UHFFFAOYSA-N 0 0 248.232 2.799 50 0 BFAARN Cc1ccc(N)cc1NC(=O)c1ccccc1F ZINC000019736119 342955420 /nfs/dbraw/zinc/95/54/20/342955420.db2.gz BJAVZYPSKDOHAS-UHFFFAOYSA-N 0 0 244.269 2.969 50 0 BFAARN Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000019843539 342959611 /nfs/dbraw/zinc/95/96/11/342959611.db2.gz PCCAGMYSYCHRJO-UHFFFAOYSA-N 0 0 243.262 2.577 50 0 BFAARN O=C(c1ccccc1)N1CCCCCC1 ZINC000000500061 346907991 /nfs/dbraw/zinc/90/79/91/346907991.db2.gz KZLCCMBSJDXNDG-UHFFFAOYSA-N 0 0 203.285 2.703 50 0 BFAARN Nc1ccc(C(=O)Nc2ccccn2)c(Cl)c1 ZINC000020221026 342977557 /nfs/dbraw/zinc/97/75/57/342977557.db2.gz UCFVJVFQPUHUNF-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN Nc1ccc(Sc2cccs2)cn1 ZINC000020078056 342967959 /nfs/dbraw/zinc/96/79/59/342967959.db2.gz OUNHLGUTZLVSSK-UHFFFAOYSA-N 0 0 208.311 2.877 50 0 BFAARN O=C1CCCC[C@H]1C[C@@H]1CCCCC1=O ZINC000000501405 346911215 /nfs/dbraw/zinc/91/12/15/346911215.db2.gz CNVYERSDZLTUQK-QWRGUYRKSA-N 0 0 208.301 2.895 50 0 BFAARN Nc1cccnc1Nc1cccc(F)c1 ZINC000020317560 342981928 /nfs/dbraw/zinc/98/19/28/342981928.db2.gz IFCYNXBTLSLFJW-UHFFFAOYSA-N 0 0 203.220 2.547 50 0 BFAARN CCN(Cc1ccccc1)c1ncccc1N ZINC000020317307 342982024 /nfs/dbraw/zinc/98/20/24/342982024.db2.gz MXRIQTBJSRKZCQ-UHFFFAOYSA-N 0 0 227.311 2.690 50 0 BFAARN Nc1nc2c(cccc2OCC(F)(F)F)s1 ZINC000020432679 342985301 /nfs/dbraw/zinc/98/53/01/342985301.db2.gz MWKAAIQKVGOALA-UHFFFAOYSA-N 0 0 248.229 2.820 50 0 BFAARN O=C1N=C2CCCCC2C2(CCCCC2)N1 ZINC000000295928 349744849 /nfs/dbraw/zinc/74/48/49/349744849.db2.gz AHBUNUFLOSJFFU-UHFFFAOYSA-N 0 0 220.316 2.830 50 0 BFAARN Cc1ccc(F)cc1NC(=O)[C@H]1C[C@H]1C ZINC000005698982 346918083 /nfs/dbraw/zinc/91/80/83/346918083.db2.gz FRGJTDTVLSBURU-SCZZXKLOSA-N 0 0 207.248 2.729 50 0 BFAARN CCN(Cc1ccncc1)C(=O)c1ccccc1 ZINC000000215088 346918244 /nfs/dbraw/zinc/91/82/44/346918244.db2.gz UBDBCSHYTVYMFN-UHFFFAOYSA-N 0 0 240.306 2.744 50 0 BFAARN CC(C)(C)C(=O)NCC1(c2cccs2)CC1 ZINC000022680041 343052795 /nfs/dbraw/zinc/05/27/95/343052795.db2.gz SGOKBBRYKBGMRZ-UHFFFAOYSA-N 0 0 237.368 2.942 50 0 BFAARN COc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000023114765 343059094 /nfs/dbraw/zinc/05/90/94/343059094.db2.gz PXRYQGYLYYWQMW-STQMWFEESA-N 0 0 249.354 2.613 50 0 BFAARN Fc1ccc(-c2cnc3ccnn3c2)cc1 ZINC000144963886 343059714 /nfs/dbraw/zinc/05/97/14/343059714.db2.gz QATNPTKCVXWGFB-UHFFFAOYSA-N 0 0 213.215 2.535 50 0 BFAARN CC(=O)CSc1ccc(F)c(F)c1 ZINC000035013895 187229997 /nfs/dbraw/zinc/22/99/97/187229997.db2.gz BDJDDLMIGAPKDU-UHFFFAOYSA-N 0 0 202.225 2.646 50 0 BFAARN Clc1ccc(NCc2cccs2)nn1 ZINC000026420614 343104869 /nfs/dbraw/zinc/10/48/69/343104869.db2.gz NIIAOAYNCUNSDT-UHFFFAOYSA-N 0 0 225.704 2.804 50 0 BFAARN Nc1c(-c2ccc(F)cc2)nc2ccccn12 ZINC000026420145 343104928 /nfs/dbraw/zinc/10/49/28/343104928.db2.gz ISVXYJZNORLRPH-UHFFFAOYSA-N 0 0 227.242 2.723 50 0 BFAARN Cc1nc(Cl)nc(C)c1Br ZINC000026459778 343105632 /nfs/dbraw/zinc/10/56/32/343105632.db2.gz MDZCNJHECVPINP-UHFFFAOYSA-N 0 0 221.485 2.509 50 0 BFAARN Cc1cc(=O)cc(C)n1-c1cccc(F)c1 ZINC000027515349 343117682 /nfs/dbraw/zinc/11/76/82/343117682.db2.gz LBUXVIGIRDMPQN-UHFFFAOYSA-N 0 0 217.243 2.593 50 0 BFAARN CCOc1ncccc1NC(=O)c1ccoc1C ZINC000027514819 343117986 /nfs/dbraw/zinc/11/79/86/343117986.db2.gz GZSAGAKCYYLDCK-UHFFFAOYSA-N 0 0 246.266 2.634 50 0 BFAARN CCOc1ncccc1NC(=O)CC(C)(C)C ZINC000027583154 343121884 /nfs/dbraw/zinc/12/18/84/343121884.db2.gz VWKRDRVFDCBNQJ-UHFFFAOYSA-N 0 0 236.315 2.855 50 0 BFAARN CCC(n1nc(C)cc1C)n1nc(C)cc1C ZINC000004671511 168426336 /nfs/dbraw/zinc/42/63/36/168426336.db2.gz NLBDZGNAFAHINL-UHFFFAOYSA-N 0 0 232.331 2.770 50 0 BFAARN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cn[nH]c1 ZINC000072289029 343146851 /nfs/dbraw/zinc/14/68/51/343146851.db2.gz XZPJHYVGRPNBKF-FOGDFJRCSA-N 0 0 248.330 2.595 50 0 BFAARN Cc1ccc(NC(=O)c2cc(Cl)ccn2)nc1 ZINC000027993331 343126555 /nfs/dbraw/zinc/12/65/55/343126555.db2.gz IYGIQBXMPUQZTF-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN COCc1ccc(Br)cc1 ZINC000028278325 343127905 /nfs/dbraw/zinc/12/79/05/343127905.db2.gz JIMMXGXOJQXOQA-UHFFFAOYSA-N 0 0 201.063 2.596 50 0 BFAARN CCC(=O)Nc1ccc(OC)c2ncccc12 ZINC000028293574 343128370 /nfs/dbraw/zinc/12/83/70/343128370.db2.gz PGNQTKQSQFHCMP-UHFFFAOYSA-N 0 0 230.267 2.592 50 0 BFAARN Clc1ccc(C2=NCOCS2)cc1 ZINC000003633855 187242165 /nfs/dbraw/zinc/24/21/65/187242165.db2.gz AFHWEGXDWKSXKJ-UHFFFAOYSA-N 0 0 213.689 2.765 50 0 BFAARN CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000128879 187244130 /nfs/dbraw/zinc/24/41/30/187244130.db2.gz QQRLAETWHFRNQH-UHFFFAOYSA-N 0 0 219.162 2.544 50 0 BFAARN Cc1ccc(F)cc1C(=O)C(F)(F)F ZINC000002574724 187246119 /nfs/dbraw/zinc/24/61/19/187246119.db2.gz LFYBITAYSRVBLI-UHFFFAOYSA-N 0 0 206.138 2.879 50 0 BFAARN CC(=O)Nc1cccc2nc(C)sc21 ZINC000003218653 187246351 /nfs/dbraw/zinc/24/63/51/187246351.db2.gz YHWBPXRJKKUMJL-UHFFFAOYSA-N 0 0 206.270 2.563 50 0 BFAARN CSc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000003408899 187246454 /nfs/dbraw/zinc/24/64/54/187246454.db2.gz LURPLTWDYVKPCW-UHFFFAOYSA-N 0 0 241.743 2.954 50 0 BFAARN Nc1cc(-c2ccccc2Br)no1 ZINC000003715874 187246998 /nfs/dbraw/zinc/24/69/98/187246998.db2.gz IWZPUSFAARHNRW-UHFFFAOYSA-N 0 0 239.072 2.686 50 0 BFAARN CC1(C)N=C(c2ccccc2)C(=S)N1 ZINC000004883288 187248219 /nfs/dbraw/zinc/24/82/19/187248219.db2.gz QUDYXWDELXIWSL-UHFFFAOYSA-N 0 0 204.298 2.554 50 0 BFAARN CC(=O)Nc1nc2cc(C)c(C)cc2s1 ZINC000005152366 187248243 /nfs/dbraw/zinc/24/82/43/187248243.db2.gz HDHVPVLNAAXMFN-UHFFFAOYSA-N 0 0 220.297 2.872 50 0 BFAARN CC(C)Cc1nc2[nH]nc(N)c2c2c1CCCC2 ZINC000005817374 187248827 /nfs/dbraw/zinc/24/88/27/187248827.db2.gz VWRXMSYHMZLBMJ-UHFFFAOYSA-N 0 0 244.342 2.617 50 0 BFAARN CC=CC=CC(=O)Nc1cccc(C(C)=O)c1 ZINC000006432838 187248941 /nfs/dbraw/zinc/24/89/41/187248941.db2.gz QSACFMKBZHWIMK-PRKJJMSOSA-N 0 0 229.279 2.960 50 0 BFAARN CC(C)(C)[C@@H]1CC(Br)=NO1 ZINC000030678652 343193436 /nfs/dbraw/zinc/19/34/36/343193436.db2.gz OVTHQBDSNGJXQT-YFKPBYRVSA-N 0 0 206.083 2.530 50 0 BFAARN Cc1c2ccc(Br)cc2nn1C ZINC000031777124 343224271 /nfs/dbraw/zinc/22/42/71/343224271.db2.gz OAYUNSJKNKZYHT-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN COc1cc(F)ccc1-c1ccnc2ccnn21 ZINC000032093658 343229256 /nfs/dbraw/zinc/22/92/56/343229256.db2.gz MQCCXLYGSWRZDN-UHFFFAOYSA-N 0 0 243.241 2.544 50 0 BFAARN N#CNc1nccc(-c2cc3ccccc3o2)n1 ZINC000032101197 343229656 /nfs/dbraw/zinc/22/96/56/343229656.db2.gz IXISYKCAJZOASX-UHFFFAOYSA-N 0 0 236.234 2.783 50 0 BFAARN FC(F)c1cncc(Br)c1 ZINC000032299482 343231641 /nfs/dbraw/zinc/23/16/41/343231641.db2.gz YEIYXHOMHKPBGQ-UHFFFAOYSA-N 0 0 208.005 2.782 50 0 BFAARN Clc1nc2[nH]cnc2c(-c2ccccc2)n1 ZINC000008382268 187249101 /nfs/dbraw/zinc/24/91/01/187249101.db2.gz YJQPCOGQQFUKPV-UHFFFAOYSA-N 0 0 230.658 2.673 50 0 BFAARN CSc1ccccc1-c1cc(C)nc(N)n1 ZINC000032582070 343237952 /nfs/dbraw/zinc/23/79/52/343237952.db2.gz CRBBUDUSPZKKEG-UHFFFAOYSA-N 0 0 231.324 2.756 50 0 BFAARN Nc1nc(-c2ccc3cc[nH]c3c2)cs1 ZINC000032920088 343244529 /nfs/dbraw/zinc/24/45/29/343244529.db2.gz MEURNFWCRSLNPE-UHFFFAOYSA-N 0 0 215.281 2.874 50 0 BFAARN CC1(C)CCN1C(=O)Nc1cccs1 ZINC000072305908 343249599 /nfs/dbraw/zinc/24/95/99/343249599.db2.gz KVZLIXVJZVADFV-UHFFFAOYSA-N 0 0 210.302 2.764 50 0 BFAARN Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC000019517661 187252803 /nfs/dbraw/zinc/25/28/03/187252803.db2.gz DCBDDOHZLAXHNC-UHFFFAOYSA-N 0 0 241.269 2.875 50 0 BFAARN Cc1ccsc1S(=O)(=O)c1ccccc1 ZINC000000186497 343268987 /nfs/dbraw/zinc/26/89/87/343268987.db2.gz MLHNQBLBXRULMN-UHFFFAOYSA-N 0 0 238.333 2.889 50 0 BFAARN O=Cc1ccc2c3c1noc3-c1ccccc1C2=O ZINC000000280862 343269505 /nfs/dbraw/zinc/26/95/05/343269505.db2.gz GBYOLJMDDILZQQ-UHFFFAOYSA-N 0 0 249.225 2.852 50 0 BFAARN Clc1nc2ccccc2n2ccnc12 ZINC000034451182 343271279 /nfs/dbraw/zinc/27/12/79/343271279.db2.gz RYNAIJUDTQWFSL-UHFFFAOYSA-N 0 0 203.632 2.536 50 0 BFAARN CCCC(=O)N[C@@H](CC)Cc1ccccc1 ZINC000003095030 343273003 /nfs/dbraw/zinc/27/30/03/343273003.db2.gz LPCHKHUWDBSQJO-ZDUSSCGKSA-N 0 0 219.328 2.924 50 0 BFAARN COc1cc(C)c2c(c1C)C(=O)CCC2 ZINC000034535030 343274369 /nfs/dbraw/zinc/27/43/69/343274369.db2.gz MRGCGORNMGNETB-UHFFFAOYSA-N 0 0 204.269 2.831 50 0 BFAARN Clc1nccc(C(Cl)(Cl)Cl)n1 ZINC000034542761 343274741 /nfs/dbraw/zinc/27/47/41/343274741.db2.gz HHWQGPMDTJANOB-UHFFFAOYSA-N 0 0 231.897 2.957 50 0 BFAARN CC[C@H](O)c1ccccc1Br ZINC000034623210 343276302 /nfs/dbraw/zinc/27/63/02/343276302.db2.gz SMYHFDLFOKKDOO-VIFPVBQESA-N 0 0 215.090 2.893 50 0 BFAARN Nc1ncc(-c2ccc(Br)cc2)o1 ZINC000034883594 343279531 /nfs/dbraw/zinc/27/95/31/343279531.db2.gz IOHKMNVCWGUVBX-UHFFFAOYSA-N 0 0 239.072 2.686 50 0 BFAARN CC(C)(C)c1ccc(C(=O)N[C@H]2CCOC2)cc1 ZINC000020999879 187253918 /nfs/dbraw/zinc/25/39/18/187253918.db2.gz VMQPYWRGAOXHTA-ZDUSSCGKSA-N 0 0 247.338 2.503 50 0 BFAARN Fc1ncc(Br)cc1Cl ZINC000021981946 187254046 /nfs/dbraw/zinc/25/40/46/187254046.db2.gz WXKLHBHJIBAXQH-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN Cc1ccc2c(c1)nc(-c1ccncc1)n2C ZINC000048526522 343321497 /nfs/dbraw/zinc/32/14/97/343321497.db2.gz ZEWNNEBEXGPANT-UHFFFAOYSA-N 0 0 223.279 2.944 50 0 BFAARN O=C1CCOc2c(Cl)c(Cl)ccc21 ZINC000036928526 343327983 /nfs/dbraw/zinc/32/79/83/343327983.db2.gz JFQZFACTKZZVDU-UHFFFAOYSA-N 0 0 217.051 2.959 50 0 BFAARN CC(C)Cn1cnc(-c2ccccc2)cc1=O ZINC000038518038 187254942 /nfs/dbraw/zinc/25/49/42/187254942.db2.gz PLFAGQTVGJYVMK-UHFFFAOYSA-N 0 0 228.295 2.566 50 0 BFAARN CC1(c2cccc(Br)c2)OCCO1 ZINC000019926741 187253315 /nfs/dbraw/zinc/25/33/15/187253315.db2.gz BMECYBCLXRLALS-UHFFFAOYSA-N 0 0 243.100 2.669 50 0 BFAARN Cc1cc(NC(=O)CCc2ccc(C)cc2)no1 ZINC000021001709 187253756 /nfs/dbraw/zinc/25/37/56/187253756.db2.gz FMYFCIDMASVXEX-UHFFFAOYSA-N 0 0 244.294 2.863 50 0 BFAARN O=C(c1ccco1)N1CCC[C@@H]1c1ccncc1 ZINC000036397175 343317867 /nfs/dbraw/zinc/31/78/67/343317867.db2.gz SWRXQWQHTZDTQX-GFCCVEGCSA-N 0 0 242.278 2.652 50 0 BFAARN C[C@H](O)/C=C/c1ccc(Br)cc1 ZINC000038841436 343379277 /nfs/dbraw/zinc/37/92/77/343379277.db2.gz QVAMPRCBAQIQBI-SGJFDWMWSA-N 0 0 227.101 2.843 50 0 BFAARN O=[S@](c1ccccc1)C1(Cl)CC1 ZINC000038234937 343372871 /nfs/dbraw/zinc/37/28/71/343372871.db2.gz SOZLZFHVVDEWNB-LBPRGKRZSA-N 0 0 200.690 2.523 50 0 BFAARN Cc1cc(=O)c2c(Cl)ccc(F)c2[nH]1 ZINC000037507574 343347754 /nfs/dbraw/zinc/34/77/54/343347754.db2.gz IPRNVZHMUKLRKA-UHFFFAOYSA-N 0 0 211.623 2.629 50 0 BFAARN CCOc1ccc(Br)c(C=O)c1 ZINC000033506699 187256831 /nfs/dbraw/zinc/25/68/31/187256831.db2.gz HXFMXRXUSOYTGF-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN Cc1nc(N)sc1Cc1cccc(F)c1 ZINC000035250900 187258370 /nfs/dbraw/zinc/25/83/70/187258370.db2.gz YXCGPFIAEVMHEW-UHFFFAOYSA-N 0 0 222.288 2.764 50 0 BFAARN CCCc1nc2ccc(C(=O)OC)cc2o1 ZINC000039076060 343381518 /nfs/dbraw/zinc/38/15/18/343381518.db2.gz YTGWSNZWYJNLAW-UHFFFAOYSA-N 0 0 219.240 2.567 50 0 BFAARN CC(C)n1[n-]c(-c2ccc(F)cc2)cc1=O ZINC000039947528 343393785 /nfs/dbraw/zinc/39/37/85/343393785.db2.gz GUSKZFQFXKDSRR-UHFFFAOYSA-N 0 0 220.247 2.563 50 0 BFAARN Fc1ccc(-c2nnc(-c3cccnc3)[nH]2)cc1 ZINC000040175824 343397985 /nfs/dbraw/zinc/39/79/85/343397985.db2.gz CZZRLOQTCRWYIP-UHFFFAOYSA-N 0 0 240.241 2.673 50 0 BFAARN Clc1ncc2c(n1)-c1ccccc1OC2 ZINC000040449718 343404061 /nfs/dbraw/zinc/40/40/61/343404061.db2.gz SHAGHWRFUMBZPX-UHFFFAOYSA-N 0 0 218.643 2.689 50 0 BFAARN CC(C)(C)OC(=O)NCc1ccc(Cl)nc1 ZINC000040457269 343404606 /nfs/dbraw/zinc/40/46/06/343404606.db2.gz MGMROIDEKDNQND-UHFFFAOYSA-N 0 0 242.706 2.760 50 0 BFAARN Cc1ccc(CC(C)(C)C(N)=S)cc1 ZINC000057904991 178524329 /nfs/dbraw/zinc/52/43/29/178524329.db2.gz RGGYPUQCQROJHZ-UHFFFAOYSA-N 0 0 207.342 2.850 50 0 BFAARN Cc1ccc(CCCNC(=O)c2ccco2)cc1 ZINC000010110407 178530170 /nfs/dbraw/zinc/53/01/70/178530170.db2.gz GTZZGNOHVUCUGE-UHFFFAOYSA-N 0 0 243.306 2.951 50 0 BFAARN CCSc1ncccc1Br ZINC000042376532 343435572 /nfs/dbraw/zinc/43/55/72/343435572.db2.gz VMDCZCBFYHHCLY-UHFFFAOYSA-N 0 0 218.119 2.956 50 0 BFAARN Clc1cccc(NCc2ccncc2)n1 ZINC000042784045 343453480 /nfs/dbraw/zinc/45/34/80/343453480.db2.gz MJSMOVNBFDNBIQ-UHFFFAOYSA-N 0 0 219.675 2.742 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc(N)cc1F ZINC000043473687 343474458 /nfs/dbraw/zinc/47/44/58/343474458.db2.gz WBYYPBQKOOBWAE-UHFFFAOYSA-N 0 0 226.251 2.755 50 0 BFAARN C[C@H](Nc1cc(Cl)nc(N)n1)c1ccccc1 ZINC000043534311 343477132 /nfs/dbraw/zinc/47/71/32/343477132.db2.gz IDKMCTUUHBDJFU-QMMMGPOBSA-N 0 0 248.717 2.885 50 0 BFAARN Cc1cc(C(=O)N2c3ccccc3C[C@@H]2C)no1 ZINC000044866130 343517866 /nfs/dbraw/zinc/51/78/66/343517866.db2.gz BIVJWXGHSUFZKL-VIFPVBQESA-N 0 0 242.278 2.574 50 0 BFAARN Cc1ccnc(C(=O)c2ccc(F)cc2F)c1 ZINC000045028628 343521512 /nfs/dbraw/zinc/52/15/12/343521512.db2.gz IKVIEQWFBONHBP-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000044316746 343498011 /nfs/dbraw/zinc/49/80/11/343498011.db2.gz GHEDNSLOXLEUKX-ZETCQYMHSA-N 0 0 242.116 2.646 50 0 BFAARN Cc1ccc(CN(C)C(=O)NC(C)C)s1 ZINC000064554203 178542371 /nfs/dbraw/zinc/54/23/71/178542371.db2.gz GZXQSZUHMZNKTD-UHFFFAOYSA-N 0 0 226.345 2.606 50 0 BFAARN COC(=O)[C@H](NCc1ccc(C)cc1)C(C)(C)C ZINC000083381224 343591733 /nfs/dbraw/zinc/59/17/33/343591733.db2.gz NRKVDURPEDMLMK-ZDUSSCGKSA-N 0 0 249.354 2.672 50 0 BFAARN CCOc1cccc(CNC(=O)C(C)(C)C)c1 ZINC000048377416 343579798 /nfs/dbraw/zinc/57/97/98/343579798.db2.gz MHELDKZUBSCPQE-UHFFFAOYSA-N 0 0 235.327 2.748 50 0 BFAARN CCN(CC)C(=O)Nc1ccc(OC)c(F)c1 ZINC000048447604 343581899 /nfs/dbraw/zinc/58/18/99/343581899.db2.gz RJNFMDJEMMYUIS-UHFFFAOYSA-N 0 0 240.278 2.708 50 0 BFAARN Fc1ccc(-c2nnc(-c3cccnc3)o2)cc1 ZINC000020736595 343659131 /nfs/dbraw/zinc/65/91/31/343659131.db2.gz XNBCQOBRJPQETE-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN CCN(Cc1cccc(F)c1)C(=O)C1CCC1 ZINC000058306262 343699507 /nfs/dbraw/zinc/69/95/07/343699507.db2.gz KGNUTHAEHSWFMX-UHFFFAOYSA-N 0 0 235.302 2.974 50 0 BFAARN CC(C)CSCC(=O)N[C@H](C)c1ccco1 ZINC000048367355 187269569 /nfs/dbraw/zinc/26/95/69/187269569.db2.gz KARIMIRFBFSKHB-SNVBAGLBSA-N 0 0 241.356 2.846 50 0 BFAARN CC(C)C[C@@H]1Nc2ccccc2C(=O)N1C ZINC000049538541 187270212 /nfs/dbraw/zinc/27/02/12/187270212.db2.gz NGUZNKWTSCVVSN-GFCCVEGCSA-N 0 0 218.300 2.556 50 0 biogenic BFAARN Brc1n[nH]c(C2CCCCC2)n1 ZINC000049584957 187270633 /nfs/dbraw/zinc/27/06/33/187270633.db2.gz WBXIMLMFQQMREM-UHFFFAOYSA-N 0 0 230.109 2.615 50 0 BFAARN O=S1c2ccccc2Cc2ccccc21 ZINC000013606083 346962382 /nfs/dbraw/zinc/96/23/82/346962382.db2.gz PKICNJBYRWRABI-UHFFFAOYSA-N 0 0 214.289 2.758 50 0 BFAARN CC[C@@H]1CCCCN1Cc1nnc(C(C)C)o1 ZINC000060372796 343713366 /nfs/dbraw/zinc/71/33/66/343713366.db2.gz CMXUFZBESPVELM-LLVKDONJSA-N 0 0 237.347 2.958 50 0 BFAARN c1nn([C@@H]2CCCCO2)cc1-c1cccnc1 ZINC000060289622 343717081 /nfs/dbraw/zinc/71/70/81/343717081.db2.gz GMYLJUVALRLJLF-ZDUSSCGKSA-N 0 0 229.283 2.644 50 0 BFAARN CC[C@@H](Oc1cc(C)c(Cl)c(C)c1)C(N)=O ZINC000061679870 343727804 /nfs/dbraw/zinc/72/78/04/343727804.db2.gz GDQNPHGMFOUFKX-SNVBAGLBSA-N 0 0 241.718 2.600 50 0 BFAARN Cc1ccc(NC(=O)CCn2ccnc2)cc1C ZINC000021916666 343778418 /nfs/dbraw/zinc/77/84/18/343778418.db2.gz VEKLPXIHURHXBI-UHFFFAOYSA-N 0 0 243.310 2.529 50 0 BFAARN CC(=O)OC[C@@]12CC=C(C)[C@@H]([C@H]1C)[C@H](C)OC2 ZINC000000519325 346963890 /nfs/dbraw/zinc/96/38/90/346963890.db2.gz KSCMOJQRHWGLDT-XWUBHJNHSA-N 0 0 238.327 2.557 50 0 biogenic BFAARN CCN(CC)c1ccc2ccc(=O)cc-2o1 ZINC000334157694 343815395 /nfs/dbraw/zinc/81/53/95/343815395.db2.gz CQKYOCOILFAZID-UHFFFAOYSA-N 0 0 217.268 2.591 50 0 BFAARN Cc1ccc(CNC(=O)C2CCCCC2)cn1 ZINC000048600167 178591441 /nfs/dbraw/zinc/59/14/41/178591441.db2.gz SDTYDFPVVBDTCU-UHFFFAOYSA-N 0 0 232.327 2.587 50 0 BFAARN Fc1ccc(-c2cnc3n2CCC3)cc1 ZINC000000543444 346995154 /nfs/dbraw/zinc/99/51/54/346995154.db2.gz TWOQGVJEOKQKQZ-UHFFFAOYSA-N 0 0 202.232 2.635 50 0 BFAARN CCC[C@H]1CCC(O)=C(C(=O)C(C)C)C1 ZINC000112750725 537822168 /nfs/dbraw/zinc/82/21/68/537822168.db2.gz JZHIEWWMIAUPCM-QWRGUYRKSA-N 0 0 210.317 2.997 50 0 BFAARN Cc1noc(NCc2c(F)cccc2Cl)n1 ZINC000095990341 343884536 /nfs/dbraw/zinc/88/45/36/343884536.db2.gz SDEYSLCOVRCRJH-UHFFFAOYSA-N 0 0 241.653 2.783 50 0 BFAARN CCc1ccc(/C=C\C(=O)N2CCCC2)cc1 ZINC000004646401 343885060 /nfs/dbraw/zinc/88/50/60/343885060.db2.gz XJXGZGGEDOXYCR-KTKRTIGZSA-N 0 0 229.323 2.885 50 0 BFAARN Cc1ncc(NC(=O)Cc2ccccc2C)s1 ZINC000334520790 343890532 /nfs/dbraw/zinc/89/05/32/343890532.db2.gz RHFOIAYBOLOBAK-UHFFFAOYSA-N 0 0 246.335 2.941 50 0 BFAARN Cc1ccc2nc(-c3nc(C(C)C)no3)cn2c1 ZINC000095370406 187288247 /nfs/dbraw/zinc/28/82/47/187288247.db2.gz GDRWEVHWQLTCHH-UHFFFAOYSA-N 0 0 242.282 2.816 50 0 BFAARN O=C(COC(=O)c1cccs1)c1ccccc1 ZINC000000074034 344236843 /nfs/dbraw/zinc/23/68/43/344236843.db2.gz SGPCEFGITALHGC-UHFFFAOYSA-N 0 0 246.287 2.788 50 0 BFAARN CCc1nc(C)c([C@H](C)N(C)C(C)=O)s1 ZINC000095401204 344337728 /nfs/dbraw/zinc/33/77/28/344337728.db2.gz HTCGSTZMVQWPOP-QMMMGPOBSA-N 0 0 226.345 2.553 50 0 BFAARN COC(=O)CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000044089959 344389312 /nfs/dbraw/zinc/38/93/12/344389312.db2.gz MQTJULVUQDTCDP-JTQLQIEISA-N 0 0 247.294 2.599 50 0 BFAARN CCCC[C@H](CC)[C@H](O)[C@H](C)[C@H](C)O ZINC000100965662 344418168 /nfs/dbraw/zinc/41/81/68/344418168.db2.gz LJGRJTMTDBCJEG-NOOOWODRSA-N 0 0 202.338 2.581 50 0 BFAARN Cc1cc(C)n(C(=O)/C=C\c2ccccc2)n1 ZINC000033391172 344451469 /nfs/dbraw/zinc/45/14/69/344451469.db2.gz PLXULMXYKHEUIH-HJWRWDBZSA-N 0 0 226.279 2.854 50 0 BFAARN CCCCC(=O)N[C@@H](C)Cc1ccsc1 ZINC000084740878 344469978 /nfs/dbraw/zinc/46/99/78/344469978.db2.gz ULOQIQFUUOYGCB-JTQLQIEISA-N 0 0 225.357 2.986 50 0 BFAARN CCCC(=O)Nc1cc(C(C)(C)C)on1 ZINC000003161489 344533277 /nfs/dbraw/zinc/53/32/77/344533277.db2.gz SOGCJXMCVSEGHC-UHFFFAOYSA-N 0 0 210.277 2.711 50 0 BFAARN CC[C@@H](C)Nc1ncnc2ccccc21 ZINC000000132651 344561289 /nfs/dbraw/zinc/56/12/89/344561289.db2.gz DFOKBVJVIWIVLK-SECBINFHSA-N 0 0 201.273 2.840 50 0 BFAARN Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(N)=O ZINC000000188839 344610911 /nfs/dbraw/zinc/61/09/11/344610911.db2.gz BVIXGGBKDPPGHJ-LBPRGKRZSA-N 0 0 243.310 2.522 50 0 biogenic BFAARN Cc1ccc(F)cc1NC(=O)[C@H](C)n1cccn1 ZINC000013017140 178690759 /nfs/dbraw/zinc/69/07/59/178690759.db2.gz KHEYQANPQVSFIN-JTQLQIEISA-N 0 0 247.273 2.530 50 0 BFAARN CC[C@H]1Oc2ccc(C)cc2NC1=S ZINC000000260603 344667396 /nfs/dbraw/zinc/66/73/96/344667396.db2.gz BXXIAULRZRJUAC-SECBINFHSA-N 0 0 207.298 2.905 50 0 BFAARN c1nc2ncnc(NCCC3=CCCCC3)c2[nH]1 ZINC000000213811 344641379 /nfs/dbraw/zinc/64/13/79/344641379.db2.gz OVGHJPRBXUWKNN-UHFFFAOYSA-N 0 0 243.314 2.655 50 0 BFAARN CC[C@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccccc1 ZINC000000226611 344648979 /nfs/dbraw/zinc/64/89/79/344648979.db2.gz BXCYIBCBVGYMFT-VXGBXAGGSA-N 0 0 246.306 2.906 50 0 BFAARN CCCc1cc(C(=O)OC)c2ccccc2n1 ZINC000000372024 344733579 /nfs/dbraw/zinc/73/35/79/344733579.db2.gz OLZCZNQLWTWUMM-UHFFFAOYSA-N 0 0 229.279 2.974 50 0 BFAARN CCOc1ccc(-c2cc(C(=O)OC)on2)cc1 ZINC000000376593 344735524 /nfs/dbraw/zinc/73/55/24/344735524.db2.gz XVMIEHFADLSXCV-UHFFFAOYSA-N 0 0 247.250 2.527 50 0 BFAARN O=C1CCCC(=O)C1=C1SCCCCS1 ZINC000000383966 344740238 /nfs/dbraw/zinc/74/02/38/344740238.db2.gz HDMKRSRVVFBNRA-UHFFFAOYSA-N 0 0 242.365 2.780 50 0 BFAARN Nc1ccccc1C(=O)Nc1ccc(F)cc1F ZINC000000386868 344740784 /nfs/dbraw/zinc/74/07/84/344740784.db2.gz DGBXFYHUQXLISM-UHFFFAOYSA-N 0 0 248.232 2.799 50 0 BFAARN CC(C)(C)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000024012934 344708451 /nfs/dbraw/zinc/70/84/51/344708451.db2.gz SYEKUVWIBUDQBX-CYBMUJFWSA-N 0 0 247.338 2.633 50 0 BFAARN O=C(CC1CCCC1)Nc1ccccc1O ZINC000008723334 344757816 /nfs/dbraw/zinc/75/78/16/344757816.db2.gz LXWDERAOQWVQSE-UHFFFAOYSA-N 0 0 219.284 2.911 50 0 BFAARN Cc1ccc(NC(=O)C2CCC2)c(F)c1 ZINC000009726526 178721074 /nfs/dbraw/zinc/72/10/74/178721074.db2.gz GVJORLNXWYVSQA-UHFFFAOYSA-N 0 0 207.248 2.873 50 0 BFAARN Cc1ccc(NC(=O)c2ccccc2N)cc1 ZINC000000150125 178753342 /nfs/dbraw/zinc/75/33/42/178753342.db2.gz ULNAKLMMGXHGJQ-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN OCC[C@H]1CCN(c2ccnc3ccsc32)C1 ZINC000078365155 344853404 /nfs/dbraw/zinc/85/34/04/344853404.db2.gz XLEHDLZBFCTHTR-SNVBAGLBSA-N 0 0 248.351 2.505 50 0 BFAARN COc1ccc2c(c1C/C=C(/C)CO)OCCC2 ZINC000033729339 344921788 /nfs/dbraw/zinc/92/17/88/344921788.db2.gz ZKODFKNZYAMXQR-WZUFQYTHSA-N 0 0 248.322 2.501 50 0 BFAARN CCC1CCC(CNC(=O)N2CCC2)CC1 ZINC000069205734 168515318 /nfs/dbraw/zinc/51/53/18/168515318.db2.gz LPEQIGRQWNHINB-UHFFFAOYSA-N 0 0 224.348 2.618 50 0 BFAARN CC(C)C(=O)N1CCSC2(CCCCC2)C1 ZINC000079634641 345008859 /nfs/dbraw/zinc/00/88/59/345008859.db2.gz VFDMHBWQFVJXST-UHFFFAOYSA-N 0 0 241.400 2.921 50 0 BFAARN Cc1ccc(COc2ccc(C(N)=O)cc2)cc1 ZINC000007509801 187299699 /nfs/dbraw/zinc/29/96/99/187299699.db2.gz MHZHQGAWHTYTDU-UHFFFAOYSA-N 0 0 241.290 2.673 50 0 BFAARN CCCCSc1nc2c(c(=O)[nH]1)CCCC2 ZINC000011905556 345062666 /nfs/dbraw/zinc/06/26/66/345062666.db2.gz YJVTWMHDJWNUCF-UHFFFAOYSA-N 0 0 238.356 2.541 50 0 BFAARN Cc1ccc(S[C@H]2CCCCNC2=O)cc1 ZINC000028202984 178829505 /nfs/dbraw/zinc/82/95/05/178829505.db2.gz HHTKBDYSUTYPCY-LBPRGKRZSA-N 0 0 235.352 2.756 50 0 BFAARN CC(C)(C)[C@@]1(C)Oc2cccc(O)c2O1 ZINC000000345587 187300979 /nfs/dbraw/zinc/30/09/79/187300979.db2.gz QKBYZSNVIUNUAD-LBPRGKRZSA-N 0 0 208.257 2.926 50 0 BFAARN CCOC(=O)CSCCc1ccccc1 ZINC000001733371 187301325 /nfs/dbraw/zinc/30/13/25/187301325.db2.gz NEKOFQWBPATOLQ-UHFFFAOYSA-N 0 0 224.325 2.525 50 0 BFAARN O=C(Oc1ccccc1Cl)C1=COCCC1 ZINC000071886224 537900802 /nfs/dbraw/zinc/90/08/02/537900802.db2.gz PYGIHGQFPBRZBO-UHFFFAOYSA-N 0 0 238.670 2.940 50 0 BFAARN CCc1ocnc1C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000095961477 345686901 /nfs/dbraw/zinc/68/69/01/345686901.db2.gz LAQCBEDXJHOIOM-WDEREUQCSA-N 0 0 248.326 2.642 50 0 BFAARN Cc1cnccc1NC(=O)Nc1ccc(O)cc1 ZINC000190173553 345969642 /nfs/dbraw/zinc/96/96/42/345969642.db2.gz SUJIKVCAUJHUDS-UHFFFAOYSA-N 0 0 243.266 2.740 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@H](C2CC2)C1 ZINC000685939489 537929573 /nfs/dbraw/zinc/92/95/73/537929573.db2.gz QCLFIMYJAVLOSV-IXOXFDKPSA-N 0 0 221.344 2.727 50 0 BFAARN O=C(c1c[nH]c2ccc(F)cc12)N1CCCC1 ZINC000082272951 537936386 /nfs/dbraw/zinc/93/63/86/537936386.db2.gz GSTIVOICECZFLM-UHFFFAOYSA-N 0 0 232.258 2.543 50 0 BFAARN CC(=O)CCc1ccc(OC(C)C)cc1 ZINC000019518705 187313869 /nfs/dbraw/zinc/31/38/69/187313869.db2.gz LYACMSNCVPKXOT-UHFFFAOYSA-N 0 0 206.285 2.995 50 0 BFAARN C[C@@H](Cc1ccccc1)N(C)C(=O)c1ccco1 ZINC000669369975 537947043 /nfs/dbraw/zinc/94/70/43/537947043.db2.gz RXSDTLIXVOHPLE-LBPRGKRZSA-N 0 0 243.306 2.983 50 0 BFAARN Cc1cccc([S@](=O)CCCOC(C)C)c1 ZINC000195579599 187316646 /nfs/dbraw/zinc/31/66/46/187316646.db2.gz VPRWWBDWEJZASS-MRXNPFEDSA-N 0 0 240.368 2.918 50 0 BFAARN Cc1cccc(/C=C2\SC(=O)N(C)C2=O)c1 ZINC000012407043 179002731 /nfs/dbraw/zinc/00/27/31/179002731.db2.gz FXJNEOYLDMWNMA-YFHOEESVSA-N 0 0 233.292 2.661 50 0 BFAARN COc1ccc(Nc2ncnc3cc[nH]c32)cc1 ZINC000038174803 346230920 /nfs/dbraw/zinc/23/09/20/346230920.db2.gz MQCDBQRXSULGGB-UHFFFAOYSA-N 0 0 240.266 2.710 50 0 BFAARN C[C@H](CCc1ccc(O)cc1)Nc1ccnn1C ZINC000136497397 346234382 /nfs/dbraw/zinc/23/43/82/346234382.db2.gz IBGIZLSIKJAXAD-LLVKDONJSA-N 0 0 245.326 2.559 50 0 BFAARN Cc1cccc(C(=O)N2CCC(C)CC2)c1 ZINC000000245833 179006733 /nfs/dbraw/zinc/00/67/33/179006733.db2.gz HIWIWBZYRVUYPQ-UHFFFAOYSA-N 0 0 217.312 2.867 50 0 BFAARN Cc1cccc(C(=O)N2CCC[C@@H](C)C2)c1 ZINC000000304770 179009019 /nfs/dbraw/zinc/00/90/19/179009019.db2.gz SRHJVQDFOIXHFI-GFCCVEGCSA-N 0 0 217.312 2.867 50 0 BFAARN Cc1cccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000012978829 179013918 /nfs/dbraw/zinc/01/39/18/179013918.db2.gz NZXUFRCDGTXOOL-TXEJJXNPSA-N 0 0 247.338 2.553 50 0 BFAARN Cc1nc(N)sc1-c1ccnc(CC(C)C)n1 ZINC000095629752 346251868 /nfs/dbraw/zinc/25/18/68/346251868.db2.gz PEVCEANRYGJDGK-UHFFFAOYSA-N 0 0 248.355 2.689 50 0 BFAARN Cc1nc(N)sc1-c1ccnc(C2CCC2)n1 ZINC000095629762 346251869 /nfs/dbraw/zinc/25/18/69/346251869.db2.gz HZJFJLJBZKJEDG-UHFFFAOYSA-N 0 0 246.339 2.758 50 0 BFAARN CCC(=O)Oc1ccc2ncccc2c1 ZINC000005307449 346264787 /nfs/dbraw/zinc/26/47/87/346264787.db2.gz OUEUHZQLUWXBFU-UHFFFAOYSA-N 0 0 201.225 2.550 50 0 BFAARN CC[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000005593229 346266775 /nfs/dbraw/zinc/26/67/75/346266775.db2.gz VOZIYZAFDNZVQF-GHMZBOCLSA-N 0 0 205.301 2.910 50 0 BFAARN Cc1cccc(C(=O)N[C@@H](C)c2cccs2)n1 ZINC000024909446 179020512 /nfs/dbraw/zinc/02/05/12/179020512.db2.gz CZVPWSXNWGXSMQ-JTQLQIEISA-N 0 0 246.335 2.943 50 0 BFAARN Cc1cccc(C(=O)N[C@@H](C)c2ccncc2)c1 ZINC000006125274 179021676 /nfs/dbraw/zinc/02/16/76/179021676.db2.gz OWMLHVKNNICWGS-LBPRGKRZSA-N 0 0 240.306 2.881 50 0 BFAARN O=C(c1cscn1)N1CC[C@H]2CCCC[C@@H]21 ZINC000078487926 537966909 /nfs/dbraw/zinc/96/69/09/537966909.db2.gz XQTZCVLWVVKBRS-KOLCDFICSA-N 0 0 236.340 2.548 50 0 BFAARN CC(C)=CC(=O)Nc1nnc(CC(C)C)s1 ZINC000022833061 187319920 /nfs/dbraw/zinc/31/99/20/187319920.db2.gz KXASRUFCJBICIA-UHFFFAOYSA-N 0 0 239.344 2.641 50 0 BFAARN Cc1cccc(C(=O)c2cccc(F)c2F)n1 ZINC000045028500 179027543 /nfs/dbraw/zinc/02/75/43/179027543.db2.gz WIAXHTIBCIEJTL-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1cccc(C(C)(C)C)c1OCCO ZINC000002163749 179027582 /nfs/dbraw/zinc/02/75/82/179027582.db2.gz TZPGMPHLPCOZFD-UHFFFAOYSA-N 0 0 208.301 2.664 50 0 BFAARN Cc1cccc(CC(=O)c2ccccc2)n1 ZINC000000402371 179052985 /nfs/dbraw/zinc/05/29/85/179052985.db2.gz FSRFOUJYDNWXNK-UHFFFAOYSA-N 0 0 211.264 2.815 50 0 BFAARN Cc1ccc(CCC(=O)Nc2nccs2)o1 ZINC000000091302 346403541 /nfs/dbraw/zinc/40/35/41/346403541.db2.gz VHRJMOLKPWVEGH-UHFFFAOYSA-N 0 0 236.296 2.616 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC000000476478 346391182 /nfs/dbraw/zinc/39/11/82/346391182.db2.gz HYKHBSRNBBCIDT-LLVKDONJSA-N 0 0 221.300 2.993 50 0 BFAARN COc1cc(Cl)ccc1NC(=O)C1CC1 ZINC000000398355 346416430 /nfs/dbraw/zinc/41/64/30/346416430.db2.gz OOVLFJMQBGRNSM-UHFFFAOYSA-N 0 0 225.675 2.697 50 0 BFAARN Cc1occc1C(=O)NCc1ccc(C)cc1 ZINC000006275017 346513592 /nfs/dbraw/zinc/51/35/92/346513592.db2.gz OEEJLOVOUIMEJV-UHFFFAOYSA-N 0 0 229.279 2.826 50 0 BFAARN Cc1cccc(N)c1S[C@@H]1CCCC[C@@H]1O ZINC000000553528 179120928 /nfs/dbraw/zinc/12/09/28/179120928.db2.gz LJGIJNFBHPWGCW-NWDGAFQWSA-N 0 0 237.368 2.973 50 0 BFAARN Clc1ccc(OCCn2ccnc2)cc1 ZINC000003876309 346582238 /nfs/dbraw/zinc/58/22/38/346582238.db2.gz KUDLOMXCSUUBJR-UHFFFAOYSA-N 0 0 222.675 2.616 50 0 BFAARN Cc1cccc(NC(=O)NCC[C@@H]2CCCO2)c1 ZINC000025236531 179134971 /nfs/dbraw/zinc/13/49/71/179134971.db2.gz ATGGTQPGWQQKEM-ZDUSSCGKSA-N 0 0 248.326 2.686 50 0 BFAARN Cc1cccc(NC(=O)NCc2ccoc2)c1 ZINC000047688198 179135029 /nfs/dbraw/zinc/13/50/29/179135029.db2.gz KHZHTOWZPSCJOS-UHFFFAOYSA-N 0 0 230.267 2.910 50 0 BFAARN Cc1cc(C)cc(NC(=O)NC2CC2)c1 ZINC000006729537 346655484 /nfs/dbraw/zinc/65/54/84/346655484.db2.gz AGYYPSSQCDYKAP-UHFFFAOYSA-N 0 0 204.273 2.587 50 0 BFAARN Cc1cccc(NC(=O)Cc2ccc(F)cc2)n1 ZINC000000339777 179129148 /nfs/dbraw/zinc/12/91/48/179129148.db2.gz CPIKSZSMFCVTNI-UHFFFAOYSA-N 0 0 244.269 2.710 50 0 BFAARN Cc1cccc(NC(=O)Cc2ccccc2C)n1 ZINC000006715609 179129668 /nfs/dbraw/zinc/12/96/68/179129668.db2.gz SFNFWTOFKNHAMR-UHFFFAOYSA-N 0 0 240.306 2.880 50 0 BFAARN Cc1cccc(NC(=O)[C@@H]2CC=CCC2)n1 ZINC000012536828 179138552 /nfs/dbraw/zinc/13/85/52/179138552.db2.gz XHPOORJQANBYMO-LLVKDONJSA-N 0 0 216.284 2.685 50 0 BFAARN CCCC(=O)Nc1ccc(C(=O)OC)cc1C ZINC000029824793 168563272 /nfs/dbraw/zinc/56/32/72/168563272.db2.gz RZMQQYDXKPDLJH-UHFFFAOYSA-N 0 0 235.283 2.520 50 0 BFAARN CCc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000008584559 346679871 /nfs/dbraw/zinc/67/98/71/346679871.db2.gz VKLIMHJBTINSOZ-UHFFFAOYSA-N 0 0 201.269 2.707 50 0 BFAARN CCCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012982563 168563689 /nfs/dbraw/zinc/56/36/89/168563689.db2.gz RIGXEWXREDYWSN-UHFFFAOYSA-N 0 0 235.283 2.587 50 0 BFAARN CCOc1ccccc1NC(=O)c1ccccn1 ZINC000000484542 346737074 /nfs/dbraw/zinc/73/70/74/346737074.db2.gz JUYLWOZZWPMZCA-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN Cc1cccc(NCc2cnn(C)c2)c1C ZINC000020075214 179151169 /nfs/dbraw/zinc/15/11/69/179151169.db2.gz SIIQWFJGOHVJPL-UHFFFAOYSA-N 0 0 215.300 2.649 50 0 BFAARN Cc1cccc(NCc2nccn2CC(C)C)n1 ZINC000157703201 179151369 /nfs/dbraw/zinc/15/13/69/179151369.db2.gz POTYSGRSHDKQMD-UHFFFAOYSA-N 0 0 244.342 2.855 50 0 BFAARN Cc1cccc(NS(=O)(=O)CC(C)C)c1C ZINC000005392745 179152113 /nfs/dbraw/zinc/15/21/13/179152113.db2.gz DLNGHNVTMCRHQT-UHFFFAOYSA-N 0 0 241.356 2.701 50 0 BFAARN Cc1cccc(N[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000020312477 179153590 /nfs/dbraw/zinc/15/35/90/179153590.db2.gz NHVIHVYKHUXNSX-NSHDSACASA-N 0 0 234.343 2.710 50 0 BFAARN CC=CC=CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000015540533 347119017 /nfs/dbraw/zinc/11/90/17/347119017.db2.gz DZJGJWIIBZDSOJ-VNKDHWASSA-N 0 0 229.279 2.960 50 0 BFAARN Cc1cccc(O[C@@H](C)C(=O)N2CCCCC2)c1 ZINC000004832801 179173208 /nfs/dbraw/zinc/17/32/08/179173208.db2.gz STTVCUBVKLWQAB-ZDUSSCGKSA-N 0 0 247.338 2.775 50 0 BFAARN Cc1cccc(O[C@H](C)C(=O)N2CCCC2)c1C ZINC000012928353 179174733 /nfs/dbraw/zinc/17/47/33/179174733.db2.gz OSWHCUAQMODDJJ-CYBMUJFWSA-N 0 0 247.338 2.693 50 0 BFAARN Cc1n[nH]c2c1C(=O)C[C@@H](c1cccc(C)c1)C2 ZINC000008743636 179190111 /nfs/dbraw/zinc/19/01/11/179190111.db2.gz GTGIEROGWVRKLT-LBPRGKRZSA-N 0 0 240.306 2.939 50 0 BFAARN Cc1cccc2c(-c3cnc(N)cn3)c[nH]c21 ZINC000032597963 179207530 /nfs/dbraw/zinc/20/75/30/179207530.db2.gz RYCXMGQKZFLILM-UHFFFAOYSA-N 0 0 224.267 2.516 50 0 BFAARN Cc1cccc2c(-c3ccncn3)c[nH]c21 ZINC000067678661 179208357 /nfs/dbraw/zinc/20/83/57/179208357.db2.gz CWQFKLGPDUGTJU-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN CC[C@@H]1CCCCN1C(=S)NCC(C)C ZINC000013829390 362809637 /nfs/dbraw/zinc/80/96/37/362809637.db2.gz IDZWDPLIQPNTBM-LLVKDONJSA-N 0 0 228.405 2.781 50 0 BFAARN Cc1cccc([C@H]2CCCC[N@@H+]2CC(=O)[O-])c1C ZINC000225453052 179203932 /nfs/dbraw/zinc/20/39/32/179203932.db2.gz RFRPXHAHSKOMFO-CQSZACIVSA-N 0 0 247.338 2.915 50 0 BFAARN CCCC(=O)Nc1ccc(Cl)c(C)n1 ZINC000010119495 347320782 /nfs/dbraw/zinc/32/07/82/347320782.db2.gz RDUNXERURDANBU-UHFFFAOYSA-N 0 0 212.680 2.782 50 0 BFAARN Cc1cccc2nc(-c3ccccc3)cc(=O)n12 ZINC000001636777 179228336 /nfs/dbraw/zinc/22/83/36/179228336.db2.gz VENOCGRRHSRJKR-UHFFFAOYSA-N 0 0 236.274 2.670 50 0 BFAARN C[C@H](NC(=O)C1CCCCC1)c1cccnc1 ZINC000012536707 347470992 /nfs/dbraw/zinc/47/09/92/347470992.db2.gz NJFWVJNEKNXEMH-NSHDSACASA-N 0 0 232.327 2.839 50 0 BFAARN CC[C@@H](C)NC(=O)[C@H]1Cc2ccccc2S1 ZINC000012894321 347474366 /nfs/dbraw/zinc/47/43/66/347474366.db2.gz ZWLUHHNAQOLHGM-BXKDBHETSA-N 0 0 235.352 2.618 50 0 BFAARN Cc1ccccc1C(=O)NCc1ccsc1 ZINC000013698068 179251406 /nfs/dbraw/zinc/25/14/06/179251406.db2.gz VVPCWHPVWHWTRW-UHFFFAOYSA-N 0 0 231.320 2.987 50 0 BFAARN Cc1ccccc1C(=O)Nc1ccccc1O ZINC000000406252 179252019 /nfs/dbraw/zinc/25/20/19/179252019.db2.gz OUNOQMJWSHAQOF-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN CCO[C@H](CNC(=O)[C@H]1C[C@@H]1C)c1ccccc1 ZINC000194194501 347528030 /nfs/dbraw/zinc/52/80/30/347528030.db2.gz TWCRWVUIKITSDZ-FPMFFAJLSA-N 0 0 247.338 2.536 50 0 BFAARN Cc1ccc(C)n1NC(=O)c1ccccc1C ZINC000000479737 179252544 /nfs/dbraw/zinc/25/25/44/179252544.db2.gz DJRQMZXJZGHKRU-UHFFFAOYSA-N 0 0 228.295 2.797 50 0 BFAARN Cc1ccccc1CC(=O)NCCC(C)C ZINC000040162069 179258536 /nfs/dbraw/zinc/25/85/36/179258536.db2.gz IRKQHHSZEZHGPZ-UHFFFAOYSA-N 0 0 219.328 2.700 50 0 BFAARN Cc1c(N[C@@H](C)c2cccc(O)c2)cnn1C ZINC000194950299 347594853 /nfs/dbraw/zinc/59/48/53/347594853.db2.gz RYVBSHSNRJPBRV-VIFPVBQESA-N 0 0 231.299 2.607 50 0 BFAARN CCCC(CCC)[S@@](=O)C[C@@H]1CCCO1 ZINC000194541232 347549098 /nfs/dbraw/zinc/54/90/98/347549098.db2.gz PQAMABRRCXTOEJ-NHYWBVRUSA-N 0 0 232.389 2.883 50 0 BFAARN C[C@@H](SCCC(C)(C)C)C(=O)NC1CC1 ZINC000195573134 347648080 /nfs/dbraw/zinc/64/80/80/347648080.db2.gz AKTVMJPEKDCWAP-SECBINFHSA-N 0 0 229.389 2.823 50 0 BFAARN Cc1ccccc1CN(C)C(=O)CC(F)(F)F ZINC000044599532 179268183 /nfs/dbraw/zinc/26/81/83/179268183.db2.gz MIGJOLXVAUMUDI-UHFFFAOYSA-N 0 0 245.244 2.906 50 0 BFAARN Cc1c(N[C@H](C)[C@@H]2CCOC2)cccc1N(C)C ZINC000195115998 347606099 /nfs/dbraw/zinc/60/60/99/347606099.db2.gz MMXMMIKEZBLJSO-CHWSQXEVSA-N 0 0 248.370 2.898 50 0 BFAARN Cc1ccccc1CNC(=O)c1ccccc1 ZINC000000289688 179281604 /nfs/dbraw/zinc/28/16/04/179281604.db2.gz VGIAIOZJXQPRJP-UHFFFAOYSA-N 0 0 225.291 2.925 50 0 BFAARN Cc1ccccc1CSc1nsc(N)n1 ZINC000000806645 179289308 /nfs/dbraw/zinc/28/93/08/179289308.db2.gz NKTFYVOUPMNLNC-UHFFFAOYSA-N 0 0 237.353 2.721 50 0 BFAARN Cc1ccccc1COc1ccccc1C(N)=O ZINC000005346844 179287805 /nfs/dbraw/zinc/28/78/05/179287805.db2.gz DDTGXGFYQUMQLU-UHFFFAOYSA-N 0 0 241.290 2.673 50 0 BFAARN Cc1ccccc1CSCC(=O)NC(C)C ZINC000058172203 179287829 /nfs/dbraw/zinc/28/78/29/179287829.db2.gz GKYAYGKKEPMBOH-UHFFFAOYSA-N 0 0 237.368 2.753 50 0 BFAARN Cc1ccccc1NCCC(=O)NC1CCCC1 ZINC000058264916 179304442 /nfs/dbraw/zinc/30/44/42/179304442.db2.gz FXFVMECCGZWYIY-UHFFFAOYSA-N 0 0 246.354 2.856 50 0 BFAARN Cc1ccccc1NC(=O)C[C@@H](C)n1ccnc1 ZINC000021917349 179298731 /nfs/dbraw/zinc/29/87/31/179298731.db2.gz PVFAQGNPKDZRFU-GFCCVEGCSA-N 0 0 243.310 2.781 50 0 BFAARN Cc1ccccc1OC(=O)COc1ccccc1 ZINC000000148510 179307693 /nfs/dbraw/zinc/30/76/93/179307693.db2.gz MCAORZBZTONBGH-UHFFFAOYSA-N 0 0 242.274 2.979 50 0 BFAARN Cc1ccccc1[C@@H](C)NC(=O)NC(C)C ZINC000025992407 179319220 /nfs/dbraw/zinc/31/92/20/179319220.db2.gz VIQSYXZXSLMPBI-LLVKDONJSA-N 0 0 220.316 2.764 50 0 BFAARN Cc1ccccc1[C@@H](C)NC(=O)C1CCC1 ZINC000032978726 179319560 /nfs/dbraw/zinc/31/95/60/179319560.db2.gz OJPLPJQEPNCOAA-LLVKDONJSA-N 0 0 217.312 2.972 50 0 BFAARN Cc1cccn2c(N)c(-c3ccccc3)nc12 ZINC000100318276 179354310 /nfs/dbraw/zinc/35/43/10/179354310.db2.gz LJOFRAMALMJSSL-UHFFFAOYSA-N 0 0 223.279 2.892 50 0 BFAARN Cc1cccnc1-n1cnc2ccccc21 ZINC000065409948 179358263 /nfs/dbraw/zinc/35/82/63/179358263.db2.gz FODZUURDQZBRSL-UHFFFAOYSA-N 0 0 209.252 2.729 50 0 BFAARN CC[C@]1(C(=O)OC)O[C@]1(C)c1ccc(C)s1 ZINC000669382357 537999718 /nfs/dbraw/zinc/99/97/18/537999718.db2.gz GPSUPBKLCLTVKN-VXGBXAGGSA-N 0 0 240.324 2.624 50 0 BFAARN Cc1ccnc(-n2cnc3ccccc32)c1 ZINC000065422474 229604143 /nfs/dbraw/zinc/60/41/43/229604143.db2.gz VNLUSNSQGYWNQU-UHFFFAOYSA-N 0 0 209.252 2.729 50 0 BFAARN Cc1ncsc1CNc1ncccc1C ZINC000070837186 179395167 /nfs/dbraw/zinc/39/51/67/179395167.db2.gz YQQUARRPJBIOKD-UHFFFAOYSA-N 0 0 219.313 2.767 50 0 BFAARN Cc1cccnc1NC(=O)c1ccccc1 ZINC000013964519 179393748 /nfs/dbraw/zinc/39/37/48/179393748.db2.gz JJBRLTIVSDLEJK-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN Cc1ccsc1C(=O)Nc1ccccn1 ZINC000021893784 179539671 /nfs/dbraw/zinc/53/96/71/179539671.db2.gz BFPRWLBOPRSWCL-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN CCC1CCC2(CC1)O[C@@]2(CC)C(=O)OC ZINC000669383589 538012079 /nfs/dbraw/zinc/01/20/79/538012079.db2.gz SWTNQJUQLNBYTR-GDKBPFBDSA-N 0 0 226.316 2.677 50 0 BFAARN Cc1cnccc1NC(=O)N1CCCC1(C)C ZINC000095981994 179708472 /nfs/dbraw/zinc/70/84/72/179708472.db2.gz UPODDFJYXOYJII-UHFFFAOYSA-N 0 0 233.315 2.796 50 0 BFAARN Cc1csc(Nc2cccc(N)c2)n1 ZINC000019502378 179790193 /nfs/dbraw/zinc/79/01/93/179790193.db2.gz HMCWAKHAZBKTQR-UHFFFAOYSA-N 0 0 205.286 2.777 50 0 BFAARN Cc1csc2nc(-c3ccccc3)cn12 ZINC000000343134 179797784 /nfs/dbraw/zinc/79/77/84/179797784.db2.gz DCMZKFFVBKTHRE-UHFFFAOYSA-O 0 0 215.301 2.790 50 0 BFAARN O=C(c1ccccc1OC1CCC1)N1CCCC1 ZINC000089809679 362944922 /nfs/dbraw/zinc/94/49/22/362944922.db2.gz NQNPTUAQIJUHOJ-UHFFFAOYSA-N 0 0 245.322 2.854 50 0 BFAARN CC[C@@H]1c2cccn2CCN1C(=O)C1CCC1 ZINC000151435209 538036150 /nfs/dbraw/zinc/03/61/50/538036150.db2.gz JKZFCULWQUBFNZ-GFCCVEGCSA-N 0 0 232.327 2.582 50 0 BFAARN Cc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 ZINC000008072830 179865366 /nfs/dbraw/zinc/86/53/66/179865366.db2.gz FMTSXBRHIAMJPG-UHFFFAOYSA-N 0 0 232.264 2.553 50 0 BFAARN Cc1nc(C)c(C(=O)NC2CCCCC2)s1 ZINC000001330442 179901477 /nfs/dbraw/zinc/90/14/77/179901477.db2.gz CBYVEDVMPZUJSG-UHFFFAOYSA-N 0 0 238.356 2.822 50 0 BFAARN Cc1nc(C)c(C(=O)Nc2ccc(F)cc2)o1 ZINC000004148071 179904183 /nfs/dbraw/zinc/90/41/83/179904183.db2.gz GTPLNLJXPPIITG-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN CC(=O)N[C@@H](C)Cc1ccc2ccccc2c1 ZINC000065566195 191001793 /nfs/dbraw/zinc/00/17/93/191001793.db2.gz KPODCKYIWDFSMT-NSHDSACASA-N 0 0 227.307 2.907 50 0 BFAARN CC(C)c1nn2c(nnc2-c2ccco2)s1 ZINC000012322417 350047117 /nfs/dbraw/zinc/04/71/17/350047117.db2.gz RVNPGNCPMHPMDV-UHFFFAOYSA-N 0 0 234.284 2.569 50 0 BFAARN O=Cc1cc(OCCF)ccc1Br ZINC000128701801 350056263 /nfs/dbraw/zinc/05/62/63/350056263.db2.gz NLIPSXXCMWRHPN-UHFFFAOYSA-N 0 0 247.063 2.610 50 0 BFAARN Cc1nc(SCC(C)(C)O)n(C2CC2)c1C ZINC000095399015 180030936 /nfs/dbraw/zinc/03/09/36/180030936.db2.gz RLZVNBFMCFMXLI-UHFFFAOYSA-N 0 0 240.372 2.698 50 0 BFAARN Cc1nc2ncnc(Nc3ccccc3C)c2[nH]1 ZINC000057279837 180066838 /nfs/dbraw/zinc/06/68/38/180066838.db2.gz PYWSTQUWEADRMH-UHFFFAOYSA-N 0 0 239.282 2.713 50 0 BFAARN Cc1nc([C@H]2CC(=O)OC23CCCC3)cs1 ZINC000001438871 180055579 /nfs/dbraw/zinc/05/55/79/180055579.db2.gz URIFHMYOGJXZQG-SECBINFHSA-N 0 0 237.324 2.795 50 0 BFAARN Cc1nc2[nH]c(=S)[nH]c2cc1Br ZINC000018193858 180059436 /nfs/dbraw/zinc/05/94/36/180059436.db2.gz SYOILFGOWAYSAP-UHFFFAOYSA-N 0 0 244.117 2.691 50 0 BFAARN Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000000371901 180078447 /nfs/dbraw/zinc/07/84/47/180078447.db2.gz MXJRRPABGUWERH-UHFFFAOYSA-N 0 0 200.163 2.890 50 0 BFAARN Cc1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC000027987176 180084519 /nfs/dbraw/zinc/08/45/19/180084519.db2.gz BSROJRWZJKELNS-UHFFFAOYSA-N 0 0 216.162 2.770 50 0 BFAARN c1[nH]nc(C2CC2)c1-c1ccc2c(c1)OCCO2 ZINC000426401890 191027710 /nfs/dbraw/zinc/02/77/10/191027710.db2.gz PDWMXBCODJBWCL-UHFFFAOYSA-N 0 0 242.278 2.725 50 0 BFAARN Cc1nc2ccc(NC(=O)[C@H]3C[C@H]3C)cc2o1 ZINC000032752869 180095425 /nfs/dbraw/zinc/09/54/25/180095425.db2.gz ZKSMESAMZDKAQV-XCBNKYQSSA-N 0 0 230.267 2.731 50 0 BFAARN Cc1nc2ccc(NC(=O)C(F)(F)F)cc2o1 ZINC000001384483 180095439 /nfs/dbraw/zinc/09/54/39/180095439.db2.gz FLIQZGVSOUVTHP-UHFFFAOYSA-N 0 0 244.172 2.637 50 0 BFAARN Cc1nn(C)c2nc(C)c(Cl)c(C)c12 ZINC000016958039 180069040 /nfs/dbraw/zinc/06/90/40/180069040.db2.gz GQTAUQWOTNORQC-UHFFFAOYSA-N 0 0 209.680 2.547 50 0 BFAARN Cc1nc2c(ccc3nsnc32)s1 ZINC000075172790 180069560 /nfs/dbraw/zinc/06/95/60/180069560.db2.gz YJRWTSHAEACRFO-UHFFFAOYSA-N 0 0 207.283 2.609 50 0 BFAARN Cc1nc2ccccc2n(CCCCCF)c1=O ZINC000095392194 180102050 /nfs/dbraw/zinc/10/20/50/180102050.db2.gz VWGXBQXFQYQNSO-UHFFFAOYSA-N 0 0 248.301 2.845 50 0 BFAARN Cc1nc2sc3c(c2c(=O)o1)CC[C@@H](C)C3 ZINC000000127488 180116770 /nfs/dbraw/zinc/11/67/70/180116770.db2.gz HXYORSNUCFAGLV-ZCFIWIBFSA-N 0 0 235.308 2.683 50 0 BFAARN Cc1ncc(CNc2ccc(F)cc2)cn1 ZINC000309853357 180160266 /nfs/dbraw/zinc/16/02/66/180160266.db2.gz JOHPHXFQGAGFNH-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN Cc1ncc(Cl)cc1Br ZINC000066327860 180162431 /nfs/dbraw/zinc/16/24/31/180162431.db2.gz QHYZGHIRFIVVRM-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN Cc1ncc2ccc(Br)cc2n1 ZINC000085224541 180178699 /nfs/dbraw/zinc/17/86/99/180178699.db2.gz FUJPMAXZVVBVEY-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN Cc1noc(C)c1COc1cccnc1C ZINC000096007479 180227843 /nfs/dbraw/zinc/22/78/43/180227843.db2.gz UMALAEJMFNSSJM-UHFFFAOYSA-N 0 0 218.256 2.574 50 0 BFAARN CC(C)n1nccc1-c1ccc(N(C)C)nc1 ZINC000426493014 191085014 /nfs/dbraw/zinc/08/50/14/191085014.db2.gz AAXGBJATLQQTEO-UHFFFAOYSA-N 0 0 230.315 2.592 50 0 BFAARN CCCCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000009466809 168624630 /nfs/dbraw/zinc/62/46/30/168624630.db2.gz ZADUTMQYNJMWCZ-SNVBAGLBSA-N 0 0 245.326 2.930 50 0 BFAARN CSCC(=O)c1cccc(Br)c1 ZINC000038064063 350301982 /nfs/dbraw/zinc/30/19/82/350301982.db2.gz VLZKPMDERIPPPR-UHFFFAOYSA-N 0 0 245.141 2.995 50 0 BFAARN CCCc1nnc(-c2ccc(N(C)C)nc2)s1 ZINC000426574789 191097332 /nfs/dbraw/zinc/09/73/32/191097332.db2.gz RYGARFDEEKMBEA-UHFFFAOYSA-N 0 0 248.355 2.619 50 0 BFAARN Cc1ncsc1C(=O)NCCCC(C)C ZINC000059009603 180303495 /nfs/dbraw/zinc/30/34/95/180303495.db2.gz FYJITMVLXJGFNZ-UHFFFAOYSA-N 0 0 226.345 2.618 50 0 BFAARN CC[C@@H]1CCCC[C@@H]1Nc1ncnc2oncc21 ZINC000225503337 350364089 /nfs/dbraw/zinc/36/40/89/350364089.db2.gz NZMDERKPXAEKSR-KOLCDFICSA-N 0 0 246.314 2.999 50 0 BFAARN CCN(Cc1cccc(F)c1)C(=O)[C@H]1C[C@H]1C ZINC000040462419 350364457 /nfs/dbraw/zinc/36/44/57/350364457.db2.gz IUBOXIMXFNQZKZ-MFKMUULPSA-N 0 0 235.302 2.830 50 0 BFAARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=O ZINC000019428485 180326982 /nfs/dbraw/zinc/32/69/82/180326982.db2.gz PXADITRBANJNSZ-UHFFFAOYSA-N 0 0 234.686 2.955 50 0 BFAARN Cc1nn(-c2ccc(Cl)cc2)cc1C=O ZINC000034743210 180328152 /nfs/dbraw/zinc/32/81/52/180328152.db2.gz ZOQUWXMSMRQAPO-UHFFFAOYSA-N 0 0 220.659 2.647 50 0 BFAARN Cn1cc(-c2ccc(C(=O)C3CC3)c(F)c2)cn1 ZINC000426552398 191097662 /nfs/dbraw/zinc/09/76/62/191097662.db2.gz WMHGLFODNBYUHU-UHFFFAOYSA-N 0 0 244.269 2.819 50 0 BFAARN CCc1nc(C)c([C@@H](C)[N@H+](C)CCOC)s1 ZINC000076040334 362957178 /nfs/dbraw/zinc/95/71/78/362957178.db2.gz RUDJXWYCDLNTSP-SNVBAGLBSA-N 0 0 242.388 2.653 50 0 BFAARN Cc1nn2cccnc2c1-c1ccc(F)cc1 ZINC000253495606 180394841 /nfs/dbraw/zinc/39/48/41/180394841.db2.gz KDOBBRHDCWOUJC-UHFFFAOYSA-N 0 0 227.242 2.844 50 0 BFAARN Cc1nnc(C)n1-c1ccc(Cl)cc1 ZINC000071774310 180399256 /nfs/dbraw/zinc/39/92/56/180399256.db2.gz ANZAUMVKYJMMNJ-UHFFFAOYSA-N 0 0 207.664 2.538 50 0 BFAARN O=c1[nH]c(-c2ccc[nH]2)nc2ccc(Cl)cc12 ZINC000134473635 191108725 /nfs/dbraw/zinc/10/87/25/191108725.db2.gz OTMAMTJRBCUXBL-UHFFFAOYSA-N 0 0 245.669 2.572 50 0 BFAARN CCc1csc(NC(=O)N(CC)CC)n1 ZINC000076082147 362966956 /nfs/dbraw/zinc/96/69/56/362966956.db2.gz UHICBJDJQLVZEL-UHFFFAOYSA-N 0 0 227.333 2.579 50 0 BFAARN Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000204073785 180447080 /nfs/dbraw/zinc/44/70/80/180447080.db2.gz CDOOFCVFVCDFSC-UHFFFAOYSA-N 0 0 235.596 2.710 50 0 BFAARN CCn1ccc2c1nc(Cl)nc2Cl ZINC000231433197 350624348 /nfs/dbraw/zinc/62/43/48/350624348.db2.gz VQOZIAAEKGDONZ-UHFFFAOYSA-N 0 0 216.071 2.758 50 0 BFAARN O=C(OCC1CCSCC1)c1ccco1 ZINC000076094688 362970857 /nfs/dbraw/zinc/97/08/57/362970857.db2.gz ZDUGOGQXTFLPIT-UHFFFAOYSA-N 0 0 226.297 2.580 50 0 BFAARN Cc1noc(C)c1C(=O)NCCC1=CCCCC1 ZINC000001053636 180463462 /nfs/dbraw/zinc/46/34/62/180463462.db2.gz CDMDKICUIFSGRO-UHFFFAOYSA-N 0 0 248.326 2.912 50 0 BFAARN Cc1noc(CCc2c[nH]c3ccccc23)n1 ZINC000043135898 180484573 /nfs/dbraw/zinc/48/45/73/180484573.db2.gz JDGKHCYJDSJLRA-UHFFFAOYSA-N 0 0 227.267 2.645 50 0 BFAARN Cc1noc(CSc2ncccc2Cl)n1 ZINC000040489676 180491335 /nfs/dbraw/zinc/49/13/35/180491335.db2.gz ZTYYHHDUYHUXPB-UHFFFAOYSA-N 0 0 241.703 2.719 50 0 BFAARN Cc1noc2ncnc(N[C@@H]3CCCC[C@@H]3C)c12 ZINC000021531591 180502534 /nfs/dbraw/zinc/50/25/34/180502534.db2.gz RIHMUTYAOUZJTM-WCBMZHEXSA-N 0 0 246.314 2.917 50 0 BFAARN Cc1noc(NCc2cccc(Cl)c2F)n1 ZINC000134430872 180494402 /nfs/dbraw/zinc/49/44/02/180494402.db2.gz WVZDHPZZBOFAEB-UHFFFAOYSA-N 0 0 241.653 2.783 50 0 BFAARN Cc1noc2cc(Br)ccc12 ZINC000065731324 180501539 /nfs/dbraw/zinc/50/15/39/180501539.db2.gz LSPSVCJKVFCWHE-UHFFFAOYSA-N 0 0 212.046 2.899 50 0 BFAARN CCOC(=O)/C=C\[C@@H]1C[C@@H]1c1ccccc1 ZINC000004728860 191121426 /nfs/dbraw/zinc/12/14/26/191121426.db2.gz PEEFCGIMKBGSEH-WACGGTQYSA-N 0 0 216.280 2.909 50 0 BFAARN Cc1oc(-c2nc3ccccc3n2C)cc1C=O ZINC000000442127 180528058 /nfs/dbraw/zinc/52/80/58/180528058.db2.gz HQQZOBMBAKOGQF-UHFFFAOYSA-N 0 0 240.262 2.954 50 0 BFAARN Cc1occc1C(=O)NC1CCCCC1 ZINC000006232913 180537798 /nfs/dbraw/zinc/53/77/98/180537798.db2.gz ZMDWRTXMKODUME-UHFFFAOYSA-N 0 0 207.273 2.651 50 0 BFAARN Cc1occc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000008548520 180539428 /nfs/dbraw/zinc/53/94/28/180539428.db2.gz IKJKJZMTPNPCSL-UHFFFAOYSA-N 0 0 241.250 2.717 50 0 BFAARN O=C(Oc1ccc2c(c1)OCO2)C1CCCC1 ZINC000001017151 350979861 /nfs/dbraw/zinc/97/98/61/350979861.db2.gz XOJUMQUQTXZZJT-UHFFFAOYSA-N 0 0 234.251 2.511 50 0 BFAARN CCOc1cc(OCC)c(Br)cn1 ZINC000001020117 350986176 /nfs/dbraw/zinc/98/61/76/350986176.db2.gz IUHIHPJXZDJRMX-UHFFFAOYSA-N 0 0 246.104 2.642 50 0 BFAARN Cc1occc1SCC[C@H]1CCOC1=O ZINC000131434147 180543439 /nfs/dbraw/zinc/54/34/39/180543439.db2.gz CVDGRWDLVSGXQQ-SECBINFHSA-N 0 0 226.297 2.633 50 0 BFAARN CC[C@@H](C(=O)Nc1cnccn1)c1ccccc1 ZINC000001053560 350990626 /nfs/dbraw/zinc/99/06/26/350990626.db2.gz KPQAZGJNBJCNDV-GFCCVEGCSA-N 0 0 241.294 2.609 50 0 BFAARN CCCCOc1cc(F)c(O)cc1F ZINC000261493499 351119453 /nfs/dbraw/zinc/11/94/53/351119453.db2.gz CGUUJLCGHBDABY-UHFFFAOYSA-N 0 0 202.200 2.849 50 0 BFAARN Clc1cc2c(cc1Cl)OCCN2 ZINC000062523005 180576214 /nfs/dbraw/zinc/57/62/14/180576214.db2.gz HZBKXSZPYNGPAZ-UHFFFAOYSA-N 0 0 204.056 2.798 50 0 BFAARN Clc1cc2c(Br)c[nH]c2cn1 ZINC000044185211 180576545 /nfs/dbraw/zinc/57/65/45/180576545.db2.gz AACITGQBOLOMOP-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Clc1ccc(COn2ccnc2)c(Cl)c1 ZINC000001387031 180580890 /nfs/dbraw/zinc/58/08/90/180580890.db2.gz DVSRGZUBRFXYOV-UHFFFAOYSA-N 0 0 243.093 2.819 50 0 BFAARN Clc1ccc(SC[C@H]2CCCCO2)nn1 ZINC000095948043 180584487 /nfs/dbraw/zinc/58/44/87/180584487.db2.gz ZDKHSHKGQGFYAT-MRVPVSSYSA-N 0 0 244.747 2.791 50 0 BFAARN Clc1cccc(-c2ncnc(Cl)n2)c1 ZINC000043220539 180589520 /nfs/dbraw/zinc/58/95/20/180589520.db2.gz KMLGSIJEJLHTCN-UHFFFAOYSA-N 0 0 226.066 2.845 50 0 BFAARN Cc1cc(C)nc(NCc2ccccc2)n1 ZINC000000324625 363050212 /nfs/dbraw/zinc/05/02/12/363050212.db2.gz MDMLGWSMGIAAIX-UHFFFAOYSA-N 0 0 213.284 2.706 50 0 BFAARN Cc1cccc(COc2ccc(C(N)=O)cc2)c1 ZINC000006728249 363098580 /nfs/dbraw/zinc/09/85/80/363098580.db2.gz SRHFNJADPLAZJF-UHFFFAOYSA-N 0 0 241.290 2.673 50 0 BFAARN c1ccc2c(c1)CC1(CCCCC1)n1nnnc1-2 ZINC000000268840 187582575 /nfs/dbraw/zinc/58/25/75/187582575.db2.gz FDGWLIPQHYNIJS-UHFFFAOYSA-N 0 0 240.310 2.556 50 0 BFAARN COc1ccc(C(=O)c2ccc(OC)cc2)cc1 ZINC000000056447 187583076 /nfs/dbraw/zinc/58/30/76/187583076.db2.gz RFVHVYKVRGKLNK-UHFFFAOYSA-N 0 0 242.274 2.935 50 0 BFAARN CC1(C)OC(=O)N2c3ccccc3N[C@]21C ZINC000003117610 187585026 /nfs/dbraw/zinc/58/50/26/187585026.db2.gz JKRBDABZPIENTF-GFCCVEGCSA-N 0 0 218.256 2.564 50 0 BFAARN CCCCN(CC)C(=O)c1ccc2[nH]cnc2c1 ZINC000012544453 352071547 /nfs/dbraw/zinc/07/15/47/352071547.db2.gz RYVVJXRTDGCUAW-UHFFFAOYSA-N 0 0 245.326 2.825 50 0 BFAARN CC(C)CSc1nnc(C(F)(F)F)n1C ZINC000040159260 187601006 /nfs/dbraw/zinc/60/10/06/187601006.db2.gz NDYQIIBAEHPUOT-UHFFFAOYSA-N 0 0 239.266 2.582 50 0 BFAARN Cc1c[nH]c(CN(C)CC[C@@H]2C[C@@H]3C=C[C@H]2C3)n1 ZINC000019731683 352085734 /nfs/dbraw/zinc/08/57/34/352085734.db2.gz VPJMREPCFATTSL-HZSPNIEDSA-N 0 0 245.370 2.752 50 0 BFAARN CC(C)Cc1noc(CSc2ccccn2)n1 ZINC000036397128 187595908 /nfs/dbraw/zinc/59/59/08/187595908.db2.gz QXQFEFHCQGXQMP-UHFFFAOYSA-N 0 0 249.339 2.955 50 0 BFAARN Cc1c(C=O)cnn1-c1ccc(Cl)cc1 ZINC000048218279 187607890 /nfs/dbraw/zinc/60/78/90/187607890.db2.gz YFSKCOZZIGKODR-UHFFFAOYSA-N 0 0 220.659 2.647 50 0 BFAARN CCc1cnccc1[C@@H](C)NCC(F)(F)F ZINC000240569322 363135566 /nfs/dbraw/zinc/13/55/66/363135566.db2.gz GZODPGWUSHWBGK-MRVPVSSYSA-N 0 0 232.249 2.857 50 0 BFAARN CCCCC(=O)Nc1cc(C)ccc1O ZINC000004666478 363146893 /nfs/dbraw/zinc/14/68/93/363146893.db2.gz DNKSNGQPTRCBSC-UHFFFAOYSA-N 0 0 207.273 2.829 50 0 BFAARN Cc1cc(N)cc(C)c1-n1nc2ccccc2n1 ZINC000004030175 187639106 /nfs/dbraw/zinc/63/91/06/187639106.db2.gz SCYVBYKTHUBIAJ-UHFFFAOYSA-N 0 0 238.294 2.620 50 0 BFAARN CCCCc1ccccc1NC(N)=S ZINC000002576642 187639146 /nfs/dbraw/zinc/63/91/46/187639146.db2.gz SYQOFSALOCCKAR-UHFFFAOYSA-N 0 0 208.330 2.685 50 0 BFAARN CC(=O)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000001598296 187639785 /nfs/dbraw/zinc/63/97/85/187639785.db2.gz QMHPCMDFILVHES-UHFFFAOYSA-N 0 0 244.319 2.867 50 0 BFAARN C[C@H](Cc1ccco1)NC(=O)Oc1ccccc1 ZINC000044443808 352326178 /nfs/dbraw/zinc/32/61/78/352326178.db2.gz IOMOYRADBPKFHG-LLVKDONJSA-N 0 0 245.278 2.999 50 0 BFAARN CC(=O)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000335213403 352422522 /nfs/dbraw/zinc/42/25/22/352422522.db2.gz SPQZFKZDBXMWQA-SSDOTTSWSA-N 0 0 221.231 2.769 50 0 BFAARN Cn1ccnc1[C@H](O)c1cccc2ccccc21 ZINC000000184055 180757598 /nfs/dbraw/zinc/75/75/98/180757598.db2.gz OFTANOLWXSYUKW-CQSZACIVSA-N 0 0 238.290 2.655 50 0 BFAARN CN1c2cc(Cl)ccc2SCCC1=O ZINC000004013699 352504873 /nfs/dbraw/zinc/50/48/73/352504873.db2.gz VKUDNFNYYWAVQR-UHFFFAOYSA-N 0 0 227.716 2.799 50 0 BFAARN CC[C@@H](C)NC(=O)CCOc1ccc(F)cc1 ZINC000045262885 352594062 /nfs/dbraw/zinc/59/40/62/352594062.db2.gz FCZHFWVQCRTHFE-SNVBAGLBSA-N 0 0 239.290 2.509 50 0 BFAARN Cc1c(Br)cncc1-c1cc[nH]n1 ZINC000725272660 538104561 /nfs/dbraw/zinc/10/45/61/538104561.db2.gz JCXFKQKJUOVNNT-UHFFFAOYSA-N 0 0 238.088 2.543 50 0 BFAARN Cn1nc2c(c1C(C)(C)C)C(=O)c1ccccc1-2 ZINC000002582146 180808972 /nfs/dbraw/zinc/80/89/72/180808972.db2.gz FHSRNLWTSBTQGF-UHFFFAOYSA-N 0 0 240.306 2.929 50 0 BFAARN CC(=O)Nc1ccccc1OCc1cc(C)on1 ZINC000005111891 187928935 /nfs/dbraw/zinc/92/89/35/187928935.db2.gz JBLYFDMSFFZKPB-UHFFFAOYSA-N 0 0 246.266 2.520 50 0 BFAARN CC1(C)CCC(=O)C[C@H]1n1nnc2ccccc21 ZINC000005302958 187930173 /nfs/dbraw/zinc/93/01/73/187930173.db2.gz OOMFOUDIIHKLOL-CYBMUJFWSA-N 0 0 243.310 2.752 50 0 BFAARN CC1(C)COC(c2ccc(Cl)cc2)=N1 ZINC000000193019 187924428 /nfs/dbraw/zinc/92/44/28/187924428.db2.gz XCQDCQKNZXMXGM-UHFFFAOYSA-N 0 0 209.676 2.895 50 0 BFAARN Cc1oncc1C(=O)Nc1ccc(Cl)cc1 ZINC000000385194 187925013 /nfs/dbraw/zinc/92/50/13/187925013.db2.gz NHJJLJQNBURBGT-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000001679974 187926409 /nfs/dbraw/zinc/92/64/09/187926409.db2.gz RQYYUHGXOAMYAL-UHFFFAOYSA-N 0 0 248.303 2.763 50 0 BFAARN Cc1nn(Cc2cccc(Cl)c2)c(C)c1N ZINC000002537019 187927146 /nfs/dbraw/zinc/92/71/46/187927146.db2.gz DESIOLVYFNSZJY-UHFFFAOYSA-N 0 0 235.718 2.784 50 0 BFAARN Cc1ccc(NC(=O)C[C@@H]2C=CCC2)nc1 ZINC000012523297 187932874 /nfs/dbraw/zinc/93/28/74/187932874.db2.gz ONWXHTNHICWLAR-LLVKDONJSA-N 0 0 216.284 2.685 50 0 BFAARN CC(=O)c1c(C)onc1-c1ccc(F)cc1 ZINC000090558280 187973378 /nfs/dbraw/zinc/97/33/78/187973378.db2.gz SMNLZIPZXIVDCL-UHFFFAOYSA-N 0 0 219.215 2.992 50 0 BFAARN C[C@H]1C=C(Sc2ccccc2)C(=O)O1 ZINC000000478297 187985935 /nfs/dbraw/zinc/98/59/35/187985935.db2.gz SNDQWXNSRKBKPQ-QMMMGPOBSA-N 0 0 206.266 2.608 50 0 BFAARN C=CCOc1cccc(/C=C2/N=C(C)OC2=O)c1 ZINC000002092257 187986496 /nfs/dbraw/zinc/98/64/96/187986496.db2.gz SNYJMIWBEVKJPI-UKTHLTGXSA-N 0 0 243.262 2.568 50 0 BFAARN CC1(C)CCN1c1cc(Cl)nc(C2CC2)n1 ZINC000225812656 188009982 /nfs/dbraw/zinc/00/99/82/188009982.db2.gz DBTNMJUOJKVLAF-UHFFFAOYSA-N 0 0 237.734 2.996 50 0 BFAARN CCn1nc(C)cc1NC(=O)CC(C)(C)C ZINC000032648592 188010728 /nfs/dbraw/zinc/01/07/28/188010728.db2.gz KIGKZVWSQBSATR-UHFFFAOYSA-N 0 0 223.320 2.586 50 0 BFAARN Cn1nccc1NCc1cc2cc(F)ccc2o1 ZINC000089741138 180851834 /nfs/dbraw/zinc/85/18/34/180851834.db2.gz PATFEBNSYJMFNU-UHFFFAOYSA-N 0 0 245.257 2.918 50 0 BFAARN C1=CC[C@H](CNc2ccc3[nH]nnc3c2)CC1 ZINC000120471454 188042621 /nfs/dbraw/zinc/04/26/21/188042621.db2.gz RNLPQYLFWWIPAR-JTQLQIEISA-N 0 0 228.299 2.726 50 0 BFAARN CC(C)=C1C(=O)N[C@@H](C)/C1=C\c1ccccc1 ZINC000043761648 188042921 /nfs/dbraw/zinc/04/29/21/188042921.db2.gz FMVUWBOOZCUMBD-GJSJWPQCSA-N 0 0 227.307 2.925 50 0 BFAARN N=[S@](=O)(c1ccc(F)cc1)C(F)(F)F ZINC000071261597 188047845 /nfs/dbraw/zinc/04/78/45/188047845.db2.gz ZHIJDUORJHKUMW-AWEZNQCLSA-N 0 0 227.182 2.751 50 0 BFAARN CCn1ncc(NC(=O)c2ccc(C)cc2)c1C ZINC000002796451 188050179 /nfs/dbraw/zinc/05/01/79/188050179.db2.gz NBVQEXDLVISISA-UHFFFAOYSA-N 0 0 243.310 2.772 50 0 BFAARN C/C=C\c1ccc(OC(C)=O)c(OC)c1 ZINC000012418177 353147260 /nfs/dbraw/zinc/14/72/60/353147260.db2.gz IUSBVFZKQJGVEP-PLNGDYQASA-N 0 0 206.241 2.654 50 0 endogenous,in-man BFAARN Cn1ccnc1Sc1nc2ccccc2o1 ZINC000048544171 353157799 /nfs/dbraw/zinc/15/77/99/353157799.db2.gz QHDNCLKMWRZPFY-UHFFFAOYSA-N 0 0 231.280 2.713 50 0 BFAARN FC(F)(F)COc1cccc(Cl)n1 ZINC000039280547 180884695 /nfs/dbraw/zinc/88/46/95/180884695.db2.gz NAMSUQXNPIXZQF-UHFFFAOYSA-N 0 0 211.570 2.676 50 0 BFAARN FC(F)(F)Oc1ccc2c(c1)CCCN2 ZINC000019260987 180888123 /nfs/dbraw/zinc/88/81/23/180888123.db2.gz LCGAVGPJGRKTCR-UHFFFAOYSA-N 0 0 217.190 2.943 50 0 BFAARN FC(F)(F)Oc1ccc(-n2cccn2)cc1 ZINC000001424731 180888163 /nfs/dbraw/zinc/88/81/63/180888163.db2.gz PBPXLAMFDDWLOO-UHFFFAOYSA-N 0 0 228.173 2.771 50 0 BFAARN FC(F)(F)c1ccc(NC[C@H]2CCCO2)nc1 ZINC000020638733 180893910 /nfs/dbraw/zinc/89/39/10/180893910.db2.gz YUYLJMGMJXZHSV-SECBINFHSA-N 0 0 246.232 2.691 50 0 BFAARN CCCCCNC(=O)c1cccc(OC)c1 ZINC000002807151 168714024 /nfs/dbraw/zinc/71/40/24/168714024.db2.gz KXCGZDVBFYNVSM-UHFFFAOYSA-N 0 0 221.300 2.615 50 0 BFAARN FC(F)[C@H]1C[C@H](c2ccco2)Nc2ccnn21 ZINC000002783358 180909418 /nfs/dbraw/zinc/90/94/18/180909418.db2.gz HMUFMRKIUCOGLX-HTQZYQBOSA-N 0 0 239.225 2.839 50 0 BFAARN O=C(O[C@@H]1CCc2cccnc21)c1ccoc1 ZINC000189319072 353291830 /nfs/dbraw/zinc/29/18/30/353291830.db2.gz LTOJPZNRRWFSKW-LLVKDONJSA-N 0 0 229.235 2.519 50 0 BFAARN CC(=O)C[C@@]1(C)Nc2ccccc2S1 ZINC000000983350 188269749 /nfs/dbraw/zinc/26/97/49/188269749.db2.gz HWKQLFDRXPYESK-NSHDSACASA-N 0 0 207.298 2.900 50 0 BFAARN CC(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000000295021 188272675 /nfs/dbraw/zinc/27/26/75/188272675.db2.gz BYBPRELHKWHPLX-UHFFFAOYSA-N 0 0 214.268 2.692 50 0 BFAARN COc1ccc(NC(=O)/C=C/c2ccco2)cc1 ZINC000000575138 188273273 /nfs/dbraw/zinc/27/32/73/188273273.db2.gz WKHUUVJYCHLEKU-CMDGGOBGSA-N 0 0 243.262 2.940 50 0 BFAARN OCc1cccnc1-c1nc2ccccc2s1 ZINC000001462949 188273459 /nfs/dbraw/zinc/27/34/59/188273459.db2.gz ZUBRIOGHEPQOKG-UHFFFAOYSA-N 0 0 242.303 2.851 50 0 BFAARN Fc1cc(Br)cc(F)c1F ZINC000000389544 188273563 /nfs/dbraw/zinc/27/35/63/188273563.db2.gz HKJCELUUIFFSIN-UHFFFAOYSA-N 0 0 210.980 2.866 50 0 BFAARN COc1cc(Br)cc(F)c1F ZINC000002574965 188274846 /nfs/dbraw/zinc/27/48/46/188274846.db2.gz UDTVFZBQFYOZST-UHFFFAOYSA-N 0 0 223.016 2.736 50 0 BFAARN C=COCCNC(=O)Nc1cccc(Cl)c1 ZINC000002983239 188276071 /nfs/dbraw/zinc/27/60/71/188276071.db2.gz BIXFRJQGTPHRPT-UHFFFAOYSA-N 0 0 240.690 2.622 50 0 BFAARN Cc1ccc(NC(=S)NC2CC2)c(C)c1 ZINC000004682524 188276515 /nfs/dbraw/zinc/27/65/15/188276515.db2.gz KQFLNKUWQOVUDW-UHFFFAOYSA-N 0 0 220.341 2.752 50 0 BFAARN C=CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000004975273 188276994 /nfs/dbraw/zinc/27/69/94/188276994.db2.gz PSGCQDPCAWOCSH-BREBYQMCSA-N 0 0 208.301 2.930 50 0 BFAARN Nc1cc(-c2ccccc2C(F)(F)F)[nH]n1 ZINC000005594925 188277769 /nfs/dbraw/zinc/27/77/69/188277769.db2.gz RMESUTALZUKOKV-UHFFFAOYSA-N 0 0 227.189 2.678 50 0 BFAARN CCc1cccc(CC)c1NC(=O)[C@H]1CCCO1 ZINC000005477435 188277826 /nfs/dbraw/zinc/27/78/26/188277826.db2.gz DPHSIWWAKJOAPE-CYBMUJFWSA-N 0 0 247.338 2.929 50 0 BFAARN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]1C ZINC000009647622 188278728 /nfs/dbraw/zinc/27/87/28/188278728.db2.gz SINRAOCJXRTBQW-CBAPKCEASA-N 0 0 239.702 2.943 50 0 BFAARN Cc1ccc2[nH]c(C(=O)NC(C)C)cc2c1 ZINC000012851273 188279465 /nfs/dbraw/zinc/27/94/65/188279465.db2.gz ICTWPCORMUTPHI-UHFFFAOYSA-N 0 0 216.284 2.615 50 0 BFAARN CC(C)(C)c1cc(NC(=O)C2CCC2)no1 ZINC000012381574 188279617 /nfs/dbraw/zinc/27/96/17/188279617.db2.gz YBCRACZSRADLMD-UHFFFAOYSA-N 0 0 222.288 2.711 50 0 BFAARN CC(=O)Nc1ccc2[nH]c3c(c2c1)CCCC3=O ZINC000012364431 188279843 /nfs/dbraw/zinc/27/98/43/188279843.db2.gz MNYGHNNHEJLTLX-UHFFFAOYSA-N 0 0 242.278 2.645 50 0 BFAARN CNc1ncc(C(F)(F)F)cc1Cl ZINC000019230095 188280422 /nfs/dbraw/zinc/28/04/22/188280422.db2.gz XWCGPHUZEGMFAI-UHFFFAOYSA-N 0 0 210.586 2.796 50 0 BFAARN CC(C)N1C(=O)S/C(=C/c2ccco2)C1=O ZINC000023382688 188283497 /nfs/dbraw/zinc/28/34/97/188283497.db2.gz HOXVKJBJPMOSNK-RMKNXTFCSA-N 0 0 237.280 2.724 50 0 BFAARN CCOC(=O)C1=C(O)CC[C@@H](c2ccccc2)C1 ZINC000038665662 188290913 /nfs/dbraw/zinc/29/09/13/188290913.db2.gz JZNYKTFYDHOKCD-CHWSQXEVSA-N 0 0 246.306 2.703 50 0 BFAARN Cc1ccsc1C(=O)N(C)[C@H](C)C1CC1 ZINC000040490142 188292062 /nfs/dbraw/zinc/29/20/62/188292062.db2.gz KTJKUAQCZNVJMR-SECBINFHSA-N 0 0 223.341 2.927 50 0 BFAARN CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000042672161 188294856 /nfs/dbraw/zinc/29/48/56/188294856.db2.gz ZLDMLIMVIUYQEV-SSDOTTSWSA-N 0 0 231.217 2.903 50 0 BFAARN NC(=S)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000044960020 188296729 /nfs/dbraw/zinc/29/67/29/188296729.db2.gz MPBUEWPKJPREPS-UHFFFAOYSA-N 0 0 239.649 2.993 50 0 BFAARN CC(C)=CC(=O)NCc1ccccc1Cl ZINC000048089474 188298028 /nfs/dbraw/zinc/29/80/28/188298028.db2.gz FABZMCDWXQSRKE-UHFFFAOYSA-N 0 0 223.703 2.922 50 0 BFAARN CC(=O)Nc1ccc(-c2c(C)n[nH]c2C)cc1 ZINC000067727326 188305322 /nfs/dbraw/zinc/30/53/22/188305322.db2.gz FQLWDECGAIZXKD-UHFFFAOYSA-N 0 0 229.283 2.652 50 0 BFAARN Cc1cnc(Br)c2cnsc21 ZINC000095698982 188320792 /nfs/dbraw/zinc/32/07/92/188320792.db2.gz GAMVKTLGAGLFCH-UHFFFAOYSA-N 0 0 229.102 2.762 50 0 BFAARN Cc1ccc(F)c(CNc2cnccc2CO)c1 ZINC000095978131 188321829 /nfs/dbraw/zinc/32/18/29/188321829.db2.gz BEEMLQHUIDESRN-UHFFFAOYSA-N 0 0 246.285 2.634 50 0 BFAARN CC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000096877554 188321842 /nfs/dbraw/zinc/32/18/42/188321842.db2.gz ZYNLWRZPRVEDFH-LLVKDONJSA-N 0 0 241.331 2.613 50 0 BFAARN Clc1nc(Cl)c2c(n1)CSCC2 ZINC000084312001 188316829 /nfs/dbraw/zinc/31/68/29/188316829.db2.gz KCSFUSMUQZWHHS-UHFFFAOYSA-N 0 0 221.112 2.573 50 0 BFAARN C/C=C(\SC)S(=O)(=O)c1ccc(C)cc1 ZINC000012341631 188340154 /nfs/dbraw/zinc/34/01/54/188340154.db2.gz GACPUYIAZRTGAD-NYYWCZLTSA-N 0 0 242.365 2.993 50 0 BFAARN CC(=O)Nc1ccc(Oc2cc(C)ncn2)cc1 ZINC000049644236 188326917 /nfs/dbraw/zinc/32/69/17/188326917.db2.gz MDBBHVGQTQUSOC-UHFFFAOYSA-N 0 0 243.266 2.536 50 0 BFAARN c1ccn(-c2nccc(-c3ccco3)n2)c1 ZINC000001394831 353362618 /nfs/dbraw/zinc/36/26/18/353362618.db2.gz RNRUXSMPKQHGOL-UHFFFAOYSA-N 0 0 211.224 2.527 50 0 BFAARN COc1nc(Br)ccc1Cl ZINC000118847102 188327920 /nfs/dbraw/zinc/32/79/20/188327920.db2.gz CJXSBRMPNXLISI-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN C(=C/c1ccncn1)\c1ccc2c(c1)CCO2 ZINC000157318932 188333521 /nfs/dbraw/zinc/33/35/21/188333521.db2.gz YKEDFJXZKWXCFR-HNQUOIGGSA-N 0 0 224.263 2.582 50 0 BFAARN Cc1ccc(OCCn2ccnc2)c(Cl)c1 ZINC000000227350 188333745 /nfs/dbraw/zinc/33/37/45/188333745.db2.gz NFHQYILGZNOQSP-UHFFFAOYSA-N 0 0 236.702 2.924 50 0 BFAARN CC(=O)CCCCCNC(=O)OC(C)(C)C ZINC000168041180 188337257 /nfs/dbraw/zinc/33/72/57/188337257.db2.gz XSMVDURNINETJM-UHFFFAOYSA-N 0 0 229.320 2.661 50 0 BFAARN CC(C)Cn1cc(CNc2ccncc2F)cn1 ZINC000170612162 188338848 /nfs/dbraw/zinc/33/88/48/188338848.db2.gz PAEYDYOFLVOSBV-UHFFFAOYSA-N 0 0 248.305 2.685 50 0 BFAARN CC(C)(C)c1csc(N2CCSCC2)n1 ZINC000001405950 353395805 /nfs/dbraw/zinc/39/58/05/353395805.db2.gz PFDNTZDPZOFOPF-UHFFFAOYSA-N 0 0 242.413 2.994 50 0 BFAARN O=C1CCCN1c1ccc(OC(F)(F)F)cc1 ZINC000001395858 353372231 /nfs/dbraw/zinc/37/22/31/353372231.db2.gz GETZRGTWONSKGI-UHFFFAOYSA-N 0 0 245.200 2.712 50 0 BFAARN CC(=O)N1CCS[C@@H](c2cccs2)CC1 ZINC000219470548 188355769 /nfs/dbraw/zinc/35/57/69/188355769.db2.gz JEXITJIYJDLKGV-LLVKDONJSA-N 0 0 241.381 2.775 50 0 BFAARN COc1c(Cl)cc(Br)cc1C=O ZINC000000567162 353424356 /nfs/dbraw/zinc/42/43/56/353424356.db2.gz TYMYZNFVODWIOD-UHFFFAOYSA-N 0 0 249.491 2.924 50 0 BFAARN C/C=C/C=C\C(=O)NCc1ccc(C)c(F)c1 ZINC000096927190 188366218 /nfs/dbraw/zinc/36/62/18/188366218.db2.gz PUKQQDXMOZPOQD-ICWBMWKASA-N 0 0 233.286 2.883 50 0 BFAARN CC(C)(C)OC(=O)n1ncc2cc(O)ccc21 ZINC000261494202 188370405 /nfs/dbraw/zinc/37/04/05/188370405.db2.gz RUVAJUODOYPQDW-UHFFFAOYSA-N 0 0 234.255 2.525 50 0 BFAARN Cc1ccnc(NC(=O)c2ccccc2Cl)n1 ZINC000043191284 188397461 /nfs/dbraw/zinc/39/74/61/188397461.db2.gz LMBNKPPOTPILKF-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Fc1ccc(Cc2noc([C@H]3CCCO3)n2)cc1 ZINC000072589498 180972538 /nfs/dbraw/zinc/97/25/38/180972538.db2.gz MKFJOEOBMATYHL-LLVKDONJSA-N 0 0 248.257 2.651 50 0 BFAARN N#Cc1ccc(N)cc1OCc1ccccc1 ZINC000136899719 353699731 /nfs/dbraw/zinc/69/97/31/353699731.db2.gz BACKXVWDHDEIHG-UHFFFAOYSA-N 0 0 224.263 2.719 50 0 BFAARN Cc1ccc(CN(C)C(=O)c2ccoc2C)o1 ZINC000032747904 354543558 /nfs/dbraw/zinc/54/35/58/354543558.db2.gz QSCGLWPZJMCENJ-UHFFFAOYSA-N 0 0 233.267 2.762 50 0 BFAARN CCN(C(=O)[C@H]1Cc2ccccc2S1)C1CC1 ZINC000032760940 354543644 /nfs/dbraw/zinc/54/36/44/354543644.db2.gz NBGLKEUICVWIJW-CYBMUJFWSA-N 0 0 247.363 2.714 50 0 BFAARN CC(C)=C(F)c1nc(-c2ncoc2C)no1 ZINC000334707863 354502350 /nfs/dbraw/zinc/50/23/50/354502350.db2.gz AMTPRMYJEYEWIM-UHFFFAOYSA-N 0 0 223.207 2.753 50 0 BFAARN C[C@@H](N(C)C(=O)c1ccncc1)C(C)(C)C ZINC000032788105 354581022 /nfs/dbraw/zinc/58/10/22/354581022.db2.gz OTUMZZSIVCYZQD-SNVBAGLBSA-N 0 0 220.316 2.588 50 0 BFAARN CCCCC[C@H]1C(=O)CC[C@@H]1CC(=O)OC ZINC000002077816 168745840 /nfs/dbraw/zinc/74/58/40/168745840.db2.gz KVWWIYGFBYDJQC-GHMZBOCLSA-N 0 0 226.316 2.725 50 0 endogenous,in-man BFAARN CCCCC[S@](=O)c1nc(C)cs1 ZINC000191174561 168747578 /nfs/dbraw/zinc/74/75/78/168747578.db2.gz AKZFPGKROZDSFH-ZDUSSCGKSA-N 0 0 217.359 2.749 50 0 BFAARN N=C(NC(=O)c1cccs1)c1cccs1 ZINC000020230359 181196971 /nfs/dbraw/zinc/19/69/71/181196971.db2.gz JZGBFNRNNMJHCY-UHFFFAOYSA-N 0 0 236.321 2.565 50 0 BFAARN NC(=[NH+][N-]c1ccc(F)cc1F)c1ccccc1 ZINC000057312143 181200450 /nfs/dbraw/zinc/20/04/50/181200450.db2.gz XCTJCYAKXAKNPU-UHFFFAOYSA-N 0 0 247.248 2.907 50 0 BFAARN COC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000001460002 355770253 /nfs/dbraw/zinc/77/02/53/355770253.db2.gz QHQUWEFJPVQGQP-SNVBAGLBSA-N 0 0 230.263 2.780 50 0 BFAARN NC(=O)/C=C\c1ccccc1Oc1ccccc1 ZINC000012960368 181213018 /nfs/dbraw/zinc/21/30/18/181213018.db2.gz ZYSUKZXLXFAIAP-KHPPLWFESA-N 0 0 239.274 2.977 50 0 BFAARN Cc1ccc(CNC(=O)C2CCC2)cc1F ZINC000012914700 355838539 /nfs/dbraw/zinc/83/85/39/355838539.db2.gz ZJOXXJOUOJAYSN-UHFFFAOYSA-N 0 0 221.275 2.550 50 0 BFAARN NC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000042950315 181215355 /nfs/dbraw/zinc/21/53/55/181215355.db2.gz BZUPPVHGWMRFOU-UHFFFAOYSA-N 0 0 223.703 2.637 50 0 BFAARN CCCCC(=O)n1c2ccc(C)cc2oc1=O ZINC000015783197 355869809 /nfs/dbraw/zinc/86/98/09/355869809.db2.gz OPYGZDGOKVKILF-UHFFFAOYSA-N 0 0 233.267 2.733 50 0 BFAARN CCCCN(C)C(=O)Cc1c[nH]c2ccccc12 ZINC000012824801 355945698 /nfs/dbraw/zinc/94/56/98/355945698.db2.gz AKHFGUWDCWLRKP-UHFFFAOYSA-N 0 0 244.338 2.969 50 0 BFAARN NC(=O)CSc1ccc(-c2ccccc2)cc1 ZINC000048601651 181240727 /nfs/dbraw/zinc/24/07/27/181240727.db2.gz ZOAUAWJBOQGDRZ-UHFFFAOYSA-N 0 0 243.331 2.931 50 0 BFAARN NC(=O)N[C@H](c1ccccc1)c1ccccc1F ZINC000005005396 181262106 /nfs/dbraw/zinc/26/21/06/181262106.db2.gz ODXYTAROUUKKPM-CYBMUJFWSA-N 0 0 244.269 2.583 50 0 BFAARN CCCCC[C@H]1COCC[C@H]1OC(C)=O ZINC000002166741 356365197 /nfs/dbraw/zinc/36/51/97/356365197.db2.gz VSRVCSJJKWDZSH-NWDGAFQWSA-N 0 0 214.305 2.535 50 0 BFAARN CC(C)(C)C(=O)C(C)(C)Br ZINC000002141661 356365274 /nfs/dbraw/zinc/36/52/74/356365274.db2.gz CLUHREPHOLNVFF-UHFFFAOYSA-N 0 0 207.111 2.775 50 0 BFAARN CC(C)(Cl)S(=O)(=O)C1CCCCC1 ZINC000045070914 356372639 /nfs/dbraw/zinc/37/26/39/356372639.db2.gz LWEOUOYAOODUFA-UHFFFAOYSA-N 0 0 224.753 2.709 50 0 BFAARN CC(C)CC(=O)N1CCC[C@H]1c1ccco1 ZINC000015835973 356377305 /nfs/dbraw/zinc/37/73/05/356377305.db2.gz NNBPHUIRXYFCSJ-NSHDSACASA-N 0 0 221.300 2.989 50 0 BFAARN CC[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1 ZINC000035237910 356423681 /nfs/dbraw/zinc/42/36/81/356423681.db2.gz WGYQUVQERWJQEQ-GFCCVEGCSA-N 0 0 229.283 2.542 50 0 BFAARN CCSc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000006141888 356424051 /nfs/dbraw/zinc/42/40/51/356424051.db2.gz PAOYRSQBPUNNTM-UHFFFAOYSA-N 0 0 235.312 2.592 50 0 BFAARN C[C@@H]1C[C@@H](C)CCN1c1nc(C2CC2)no1 ZINC000084697729 538534058 /nfs/dbraw/zinc/53/40/58/538534058.db2.gz ZSHIWJNXTUWEIT-DTWKUNHWSA-N 0 0 221.304 2.572 50 0 BFAARN C[C@@H]1CCN(c2nc(C3CC3)no2)[C@H](C)C1 ZINC000084697727 538535001 /nfs/dbraw/zinc/53/50/01/538535001.db2.gz ZSHIWJNXTUWEIT-RKDXNWHRSA-N 0 0 221.304 2.572 50 0 BFAARN CC(C)n1cncc1-c1cccc(N)c1 ZINC000221506650 538562744 /nfs/dbraw/zinc/56/27/44/538562744.db2.gz CGHHPWZJXFZUPJ-UHFFFAOYSA-N 0 0 201.273 2.713 50 0 BFAARN C[C@@H]1CCCCC[C@H]1Nc1ncccn1 ZINC000083949617 538526026 /nfs/dbraw/zinc/52/60/26/538526026.db2.gz ULKLEJFHKDMDOU-GHMZBOCLSA-N 0 0 205.305 2.857 50 0 BFAARN Clc1ccn2ncc(Br)c2c1 ZINC000084304290 538528532 /nfs/dbraw/zinc/52/85/32/538528532.db2.gz OWGQRCLIMHPEGW-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN Cc1ccc(NC(C)C)c(C(=O)N(C)C)c1 ZINC000088533597 538574448 /nfs/dbraw/zinc/57/44/48/538574448.db2.gz NWMRCDCYZKHARF-UHFFFAOYSA-N 0 0 220.316 2.517 50 0 BFAARN Cc1[nH]ccc1C(=O)N1CC[C@H]2CCCC[C@@H]21 ZINC000089536748 538581292 /nfs/dbraw/zinc/58/12/92/538581292.db2.gz BZXOJSJAJABOGG-YPMHNXCESA-N 0 0 232.327 2.728 50 0 BFAARN Cc1n[nH]cc1-c1nc2c(ccc(C)c2C)[nH]1 ZINC000090065896 538590060 /nfs/dbraw/zinc/59/00/60/538590060.db2.gz UWEZDBVYZXJSCG-UHFFFAOYSA-N 0 0 226.283 2.878 50 0 BFAARN C[C@H](NC(=O)[C@@]1(C)CCCS1)C(C)(C)C ZINC000095449661 538606504 /nfs/dbraw/zinc/60/65/04/538606504.db2.gz HFYLYIMLPCZGMG-JOYOIKCWSA-N 0 0 229.389 2.823 50 0 BFAARN Cc1oncc1NC(=O)C1CCC(F)(F)CC1 ZINC000095979219 538612682 /nfs/dbraw/zinc/61/26/82/538612682.db2.gz QJKMXRIOIGFFBS-UHFFFAOYSA-N 0 0 244.241 2.747 50 0 BFAARN CC(C)C(=O)N[C@H]1CCCc2cn(C(C)C)nc21 ZINC000096002853 538613802 /nfs/dbraw/zinc/61/38/02/538613802.db2.gz ADSYNAXYCKVXLL-LBPRGKRZSA-N 0 0 249.358 2.614 50 0 BFAARN CC[C@@H](C(=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096963678 538616482 /nfs/dbraw/zinc/61/64/82/538616482.db2.gz LEKMNFWFDOYZRS-UONOGXRCSA-N 0 0 247.338 2.619 50 0 BFAARN CC(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000000139742 166462176 /nfs/dbraw/zinc/46/21/76/166462176.db2.gz GETWGIMLYQVKIA-UHFFFAOYSA-N 0 0 207.248 2.629 50 0 BFAARN CC(C)n1c2ccc(Cl)cc2nc1CO ZINC000040417347 356883428 /nfs/dbraw/zinc/88/34/28/356883428.db2.gz SFWPZACZJFDVTG-UHFFFAOYSA-N 0 0 224.691 2.763 50 0 BFAARN C[C@H](NC(=O)C1CCC1)c1ccccc1F ZINC000012915293 538777813 /nfs/dbraw/zinc/77/78/13/538777813.db2.gz AALLHYHMGIWUSB-VIFPVBQESA-N 0 0 221.275 2.803 50 0 BFAARN CC(C)(C)SCC(=O)N1CCCCC1 ZINC000012928361 538778642 /nfs/dbraw/zinc/77/86/42/538778642.db2.gz XMYDWGCSSATFPO-UHFFFAOYSA-N 0 0 215.362 2.531 50 0 BFAARN C[C@@H](NC(=O)c1ccoc1)c1cccc(F)c1 ZINC000012953612 538778859 /nfs/dbraw/zinc/77/88/59/538778859.db2.gz JYZOMEWCGFZALQ-SECBINFHSA-N 0 0 233.242 2.910 50 0 BFAARN CC(C)=C[C@@H]1[C@@H](C(=O)NC(C)C)C1(C)C ZINC000012981283 538780921 /nfs/dbraw/zinc/78/09/21/538780921.db2.gz KAKXBNHJXOBMRL-MNOVXSKESA-N 0 0 209.333 2.749 50 0 BFAARN Cc1oc(C)c(C(=O)NC2CCCC2)c1C ZINC000013020900 538784341 /nfs/dbraw/zinc/78/43/41/538784341.db2.gz YQYSNDXEDGZARW-UHFFFAOYSA-N 0 0 221.300 2.877 50 0 BFAARN Nc1ccc2ccc(C(F)(F)F)cc2n1 ZINC000026474772 357144605 /nfs/dbraw/zinc/14/46/05/357144605.db2.gz CGKJFBMTNDZZJA-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN NC(=O)c1ccc(-c2nccc3occc32)cc1 ZINC000032534934 181293045 /nfs/dbraw/zinc/29/30/45/181293045.db2.gz IHMNZYAYRXLTJR-UHFFFAOYSA-N 0 0 238.246 2.594 50 0 BFAARN O=S(=O)(c1ccccc1)c1ccccc1 ZINC000000154638 358081330 /nfs/dbraw/zinc/08/13/30/358081330.db2.gz KZTYYGOKRVBIMI-UHFFFAOYSA-N 0 0 218.277 2.519 50 0 in-vitro BFAARN Cc1cc(C(=O)NC(C2CC2)C2CC2)c(C)o1 ZINC000013003473 358134980 /nfs/dbraw/zinc/13/49/80/358134980.db2.gz YVWWXXUUKOYADY-UHFFFAOYSA-N 0 0 233.311 2.815 50 0 BFAARN O=C(CCc1nc2ccccc2s1)NC1CC1 ZINC000006433434 358182019 /nfs/dbraw/zinc/18/20/19/358182019.db2.gz LIGVOQZHVGICHA-UHFFFAOYSA-N 0 0 246.335 2.508 50 0 BFAARN Nc1ccc(-c2ccccc2Cl)nc1 ZINC000041213247 358255467 /nfs/dbraw/zinc/25/54/67/358255467.db2.gz IAGIWHSMDYBXND-UHFFFAOYSA-N 0 0 204.660 2.984 50 0 BFAARN Cc1cnc(C(=O)NC2CCCCCCC2)cn1 ZINC000016469997 358653277 /nfs/dbraw/zinc/65/32/77/358653277.db2.gz QZFAEXYCSPTJKU-UHFFFAOYSA-N 0 0 247.342 2.628 50 0 BFAARN C[C@](N)(Cc1ccccc1)C(F)(F)F ZINC000306189271 359005790 /nfs/dbraw/zinc/00/57/90/359005790.db2.gz PELLNMJDXDTLMW-VIFPVBQESA-N 0 0 203.207 2.509 50 0 BFAARN CCc1cc2c(C)c(CC)c(=O)oc2cc1O ZINC000000449249 359621480 /nfs/dbraw/zinc/62/14/80/359621480.db2.gz LWZKAGGTWLAPRR-UHFFFAOYSA-N 0 0 232.279 2.932 50 0 biogenic BFAARN CC[C@@H]1CCCN(C(=O)[C@H]2CCCS2)C1 ZINC000089948291 360049157 /nfs/dbraw/zinc/04/91/57/360049157.db2.gz JLMMBFMKXYIXQH-GHMZBOCLSA-N 0 0 227.373 2.531 50 0 BFAARN C[C@H]1CCCC[C@H]1OCC(=O)N1CCCCC1 ZINC000089927781 360048082 /nfs/dbraw/zinc/04/80/82/360048082.db2.gz OLZBBEOFDPPCHI-QWHCGFSZSA-N 0 0 239.359 2.594 50 0 BFAARN O=C(Nc1cccnc1)N1Cc2ccccc2C1 ZINC000095381591 360337136 /nfs/dbraw/zinc/33/71/36/360337136.db2.gz SFAPSKDNKKNMAN-UHFFFAOYSA-N 0 0 239.278 2.629 50 0 BFAARN Cc1cccnc1NC1=NCC(C)(C)S1 ZINC000004843486 360478756 /nfs/dbraw/zinc/47/87/56/360478756.db2.gz NXCMNGHLKTVSNP-UHFFFAOYSA-N 0 0 221.329 2.683 50 0 BFAARN Cn1ccnc1SCc1ccccc1 ZINC000005635118 360492145 /nfs/dbraw/zinc/49/21/45/360492145.db2.gz CXQXVFWIVHBKPJ-UHFFFAOYSA-N 0 0 204.298 2.712 50 0 BFAARN Fc1cc(Br)ccc1C1OCCO1 ZINC000014807928 219812817 /nfs/dbraw/zinc/81/28/17/219812817.db2.gz QBJYRHCYSHXBAY-UHFFFAOYSA-N 0 0 247.063 2.634 50 0 BFAARN NC(=O)c1cccc(NCc2ccc(F)cc2)c1 ZINC000020124786 181305347 /nfs/dbraw/zinc/30/53/47/181305347.db2.gz MUJUVCOIMMGFNB-UHFFFAOYSA-N 0 0 244.269 2.537 50 0 BFAARN CC(C)c1cc(C(=O)Nc2ccc(F)cc2)n[nH]1 ZINC000006733183 360694825 /nfs/dbraw/zinc/69/48/25/360694825.db2.gz DMJUFXGJBNCDSI-UHFFFAOYSA-N 0 0 247.273 2.925 50 0 BFAARN NC(=O)c1cccnc1Oc1cccc(Cl)c1 ZINC000000984092 181307548 /nfs/dbraw/zinc/30/75/48/181307548.db2.gz CZSWNYIDVFMMTR-UHFFFAOYSA-N 0 0 248.669 2.626 50 0 BFAARN NC(=O)c1ccnc(-c2ccc(Cl)s2)c1 ZINC000032537428 181307639 /nfs/dbraw/zinc/30/76/39/181307639.db2.gz YTEVOWVESTWEKD-UHFFFAOYSA-N 0 0 238.699 2.562 50 0 BFAARN Nc1c(-c2ccco2)nc2ccc(Cl)cn12 ZINC000036222241 360740992 /nfs/dbraw/zinc/74/09/92/360740992.db2.gz YMXXIMPLOXMBGH-UHFFFAOYSA-N 0 0 233.658 2.830 50 0 BFAARN CC[NH+](CC)Cc1nnc(-c2ccccc2)o1 ZINC000006760326 360741043 /nfs/dbraw/zinc/74/10/43/360741043.db2.gz MCOFZTWKUXYABC-UHFFFAOYSA-N 0 0 231.299 2.578 50 0 BFAARN COc1ccc([C@H](C)NC(=O)C2CCC2)cc1 ZINC000006742645 200651577 /nfs/dbraw/zinc/65/15/77/200651577.db2.gz TUWTWMRYCPSSOA-JTQLQIEISA-N 0 0 233.311 2.673 50 0 BFAARN NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000000442774 181313781 /nfs/dbraw/zinc/31/37/81/181313781.db2.gz SVVHNBAZLSIIIR-UHFFFAOYSA-N 0 0 229.663 2.793 50 0 BFAARN NC(=S)Cc1cccc(Cl)c1Cl ZINC000044960004 181317240 /nfs/dbraw/zinc/31/72/40/181317240.db2.gz CQISWWFJLHJASS-UHFFFAOYSA-N 0 0 220.124 2.822 50 0 BFAARN COCc1cccc(C(=O)NCCC(C)C)c1 ZINC000036391886 361075615 /nfs/dbraw/zinc/07/56/15/361075615.db2.gz DHPAXCFARKXPTK-UHFFFAOYSA-N 0 0 235.327 2.609 50 0 BFAARN C[C@H](Nc1nc2ccccc2o1)[C@@H]1CCCO1 ZINC000037998868 361095673 /nfs/dbraw/zinc/09/56/73/361095673.db2.gz QBGNQXMVEOBHOP-ONGXEEELSA-N 0 0 232.283 2.807 50 0 BFAARN Cc1ccc(-c2cc(C(=O)N(C)C)n(C)c2)cc1 ZINC000065170656 361157541 /nfs/dbraw/zinc/15/75/41/361157541.db2.gz KTKSOEJFGBLUCZ-UHFFFAOYSA-N 0 0 242.322 2.702 50 0 BFAARN CCc1c(-c2ccc(OC)c(OC)c2)cnn1C ZINC000426441676 200986513 /nfs/dbraw/zinc/98/65/13/200986513.db2.gz ASEBEIGGVWMSFX-UHFFFAOYSA-N 0 0 246.310 2.667 50 0 BFAARN NC1=NN2C(=CS[C@@H]2c2ccccc2)S1 ZINC000000297785 181339204 /nfs/dbraw/zinc/33/92/04/181339204.db2.gz KMFIBTJJVASSRH-SECBINFHSA-N 0 0 235.337 2.509 50 0 BFAARN Cc1n[nH]cc1-c1cnc(Cl)c(C)c1 ZINC000725272919 541340526 /nfs/dbraw/zinc/34/05/26/541340526.db2.gz VPRLEENVVZKNAB-UHFFFAOYSA-N 0 0 207.664 2.742 50 0 BFAARN CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1C ZINC000032859955 541501840 /nfs/dbraw/zinc/50/18/40/541501840.db2.gz NTVDLOJSFVEVNQ-UHFFFAOYSA-N 0 0 243.310 2.756 50 0 BFAARN O=C1N=C2Nc3ccccc3NC=C2S1 ZINC000002473923 367718855 /nfs/dbraw/zinc/71/88/55/367718855.db2.gz JMFIXPXHIGPVLH-UHFFFAOYSA-N 0 0 217.253 2.631 50 0 BFAARN Nc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC000002550023 367735894 /nfs/dbraw/zinc/73/58/94/367735894.db2.gz KNYOGUIQVMNDNH-UHFFFAOYSA-N 0 0 248.232 2.799 50 0 BFAARN Cc1ccc(/C=C/C(=O)NCc2cccs2)o1 ZINC000003557831 367853676 /nfs/dbraw/zinc/85/36/76/367853676.db2.gz QCQDJZKFYBCOKK-VOTSOKGWSA-N 0 0 247.319 2.979 50 0 BFAARN CCCc1ccc(OC)c(OC(C)=O)c1 ZINC000003175594 367819094 /nfs/dbraw/zinc/81/90/94/367819094.db2.gz RTQFYHPMVBYLMZ-UHFFFAOYSA-N 0 0 208.257 2.573 50 0 BFAARN c1nn([C@H]2CCCCO2)cc1-c1cccnc1 ZINC000060289624 368379651 /nfs/dbraw/zinc/37/96/51/368379651.db2.gz GMYLJUVALRLJLF-CYBMUJFWSA-N 0 0 229.283 2.644 50 0 BFAARN Cc1nc(C(F)(F)F)ccc1-c1cc[nH]n1 ZINC000097442081 368383044 /nfs/dbraw/zinc/38/30/44/368383044.db2.gz RCKYMLNMOJRDGD-UHFFFAOYSA-N 0 0 227.189 2.799 50 0 BFAARN CC(C)(C)CC(=O)N1CCC(F)(F)CC1 ZINC000200987365 368913657 /nfs/dbraw/zinc/91/36/57/368913657.db2.gz YQAINKWGZCIUGI-UHFFFAOYSA-N 0 0 219.275 2.680 50 0 BFAARN C[C@@H]1CC[C@@H](OC(=O)c2cocn2)C[C@H]1C ZINC000253369804 368939923 /nfs/dbraw/zinc/93/99/23/368939923.db2.gz IIOSMUAHNLIVFT-OPRDCNLKSA-N 0 0 223.272 2.656 50 0 BFAARN CCSC[C@H](C)[NH2+]Cc1cc(C2CC2)n[nH]1 ZINC000584889805 369037148 /nfs/dbraw/zinc/03/71/48/369037148.db2.gz AGOVBKVXABLDTC-VIFPVBQESA-N 0 0 239.388 2.518 50 0 BFAARN CCOc1ncccc1NC(=O)C1CCCCC1 ZINC000027587521 369118560 /nfs/dbraw/zinc/11/85/60/369118560.db2.gz BXLMLJNIVLAYIB-UHFFFAOYSA-N 0 0 248.326 2.999 50 0 BFAARN Cc1ccc(O)c(C(=O)NC2CCCCC2)c1 ZINC000012912344 370985542 /nfs/dbraw/zinc/98/55/42/370985542.db2.gz VJGVQGMZWWPGQY-UHFFFAOYSA-N 0 0 233.311 2.763 50 0 BFAARN O=C1CCc2ccc(OCCCF)cc21 ZINC000205461428 369941057 /nfs/dbraw/zinc/94/10/57/369941057.db2.gz HAHGCXCELXOBDW-UHFFFAOYSA-N 0 0 208.232 2.554 50 0 BFAARN CSC[C@H](C)OC(=O)c1cccnc1Cl ZINC000079014807 371173199 /nfs/dbraw/zinc/17/31/99/371173199.db2.gz LXLTYLVUGWVYNQ-ZETCQYMHSA-N 0 0 245.731 2.643 50 0 BFAARN COC(=O)NCCCc1cc2ccccc2o1 ZINC000390830964 371239722 /nfs/dbraw/zinc/23/97/22/371239722.db2.gz OQAZTFIVRQAMHW-UHFFFAOYSA-N 0 0 233.267 2.721 50 0 BFAARN Cc1ccc(C(=O)N[C@]2(C)CCCOC2)c(C)c1 ZINC000390833685 371240600 /nfs/dbraw/zinc/24/06/00/371240600.db2.gz LLENZNKSPOLLCA-OAHLLOKOSA-N 0 0 247.338 2.602 50 0 BFAARN C[C@@H](O)c1cc(Br)cnc1Cl ZINC000095836969 371356618 /nfs/dbraw/zinc/35/66/18/371356618.db2.gz GTTWHKVMEWGTPC-SCSAIBSYSA-N 0 0 236.496 2.551 50 0 BFAARN Nc1cc(F)ccc1CCc1ccc(F)cc1N ZINC000000394309 181687199 /nfs/dbraw/zinc/68/71/99/181687199.db2.gz OIFIDTSCTHXOAL-UHFFFAOYSA-N 0 0 248.276 2.914 50 0 BFAARN Nc1cc([C@H]2CCCN2Cc2ccccc2)no1 ZINC000299804111 181691300 /nfs/dbraw/zinc/69/13/00/181691300.db2.gz ZWQHLHLEYAHAPD-CYBMUJFWSA-N 0 0 243.310 2.594 50 0 BFAARN Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000000333225 181696149 /nfs/dbraw/zinc/69/61/49/181696149.db2.gz ZGBQIUIUFJKOKW-UHFFFAOYSA-N 0 0 237.262 2.986 50 0 BFAARN Nc1ccc(Br)cc1Cl ZINC000000388335 181698715 /nfs/dbraw/zinc/69/87/15/181698715.db2.gz INMZDDDQLHKGPF-UHFFFAOYSA-N 0 0 206.470 2.685 50 0 BFAARN CCc1cnc(COC(=O)c2ccco2)s1 ZINC000096009821 371376405 /nfs/dbraw/zinc/37/64/05/371376405.db2.gz ABIVQWBUVJGVFS-UHFFFAOYSA-N 0 0 237.280 2.656 50 0 BFAARN Nc1ccc(Cl)cc1-c1n[nH]c(C2CC2)n1 ZINC000041058727 181709782 /nfs/dbraw/zinc/70/97/82/181709782.db2.gz IHRUMRCYZQBOQW-UHFFFAOYSA-N 0 0 234.690 2.585 50 0 BFAARN Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000040971507 181745363 /nfs/dbraw/zinc/74/53/63/181745363.db2.gz WPODKEILCJOICG-MRXNPFEDSA-N 0 0 237.368 2.850 50 0 BFAARN Nc1ccc(OCC2CC2)c(Br)c1 ZINC000043597692 181721319 /nfs/dbraw/zinc/72/13/19/181721319.db2.gz FQQGNWFWCFKJSG-UHFFFAOYSA-N 0 0 242.116 2.820 50 0 BFAARN c1ccc(C2(c3ccccc3)NCCCO2)cc1 ZINC000022238460 371531964 /nfs/dbraw/zinc/53/19/64/371531964.db2.gz WPFCJQKRMSTBJT-UHFFFAOYSA-N 0 0 239.318 2.898 50 0 BFAARN C[C@H](CC1CCOCC1)Nc1cccc(CO)c1 ZINC000225602041 371560301 /nfs/dbraw/zinc/56/03/01/371560301.db2.gz OPZIJSDVSMKWFN-GFCCVEGCSA-N 0 0 249.354 2.796 50 0 BFAARN Nc1n[nH]cc1-c1ccc2ccccc2c1 ZINC000009611502 181775253 /nfs/dbraw/zinc/77/52/53/181775253.db2.gz GRJFPUUEFWECEX-UHFFFAOYSA-N 0 0 209.252 2.812 50 0 BFAARN FC(F)c1cc(-c2ccccc2)nc2ncnn21 ZINC000002800331 371664639 /nfs/dbraw/zinc/66/46/39/371664639.db2.gz SPHHTGMVBSLPDE-UHFFFAOYSA-N 0 0 246.220 2.729 50 0 BFAARN Nc1nc2cc(-c3ccccc3)[nH]c2c(Cl)n1 ZINC000039171279 181782780 /nfs/dbraw/zinc/78/27/80/181782780.db2.gz QTQXQWXWYNHHTD-UHFFFAOYSA-N 0 0 244.685 2.861 50 0 BFAARN Nc1nc(COc2ccc(Cl)cc2)cs1 ZINC000003885541 181782996 /nfs/dbraw/zinc/78/29/96/181782996.db2.gz ITWPIFDUTSFMLN-UHFFFAOYSA-N 0 0 240.715 2.958 50 0 BFAARN Nc1nc2cccc(Br)c2s1 ZINC000060129344 181792513 /nfs/dbraw/zinc/79/25/13/181792513.db2.gz YHKASBDRJLTLHH-UHFFFAOYSA-N 0 0 229.102 2.641 50 0 BFAARN Nc1nccc(-c2cc3ccccc3s2)n1 ZINC000001407111 181799317 /nfs/dbraw/zinc/79/93/17/181799317.db2.gz VDEYQSOFDSCWMV-UHFFFAOYSA-N 0 0 227.292 2.941 50 0 BFAARN Nc1nccc(-c2ccc(F)c(Cl)c2)n1 ZINC000052812017 181800178 /nfs/dbraw/zinc/80/01/78/181800178.db2.gz NDJOHCHWXTWORA-UHFFFAOYSA-N 0 0 223.638 2.518 50 0 BFAARN O=C(OC1CCCC1)c1cccnc1Cl ZINC000003258409 371931675 /nfs/dbraw/zinc/93/16/75/371931675.db2.gz MEHWYJABAUNOOA-UHFFFAOYSA-N 0 0 225.675 2.834 50 0 BFAARN O=C(/C=C\c1ccc(F)cc1)Nc1nccs1 ZINC000006132662 181847716 /nfs/dbraw/zinc/84/77/16/181847716.db2.gz VXGDPSPESYBVCJ-UTCJRWHESA-N 0 0 248.282 2.934 50 0 BFAARN Cc1ccc(CNC(=O)NC2CCCC2)cc1 ZINC000030986916 372001956 /nfs/dbraw/zinc/00/19/56/372001956.db2.gz PMBWOPPXCXKNKA-UHFFFAOYSA-N 0 0 232.327 2.737 50 0 BFAARN O=C(C1CC1)N1CCc2cc3ccccc3nc21 ZINC000015841730 181863159 /nfs/dbraw/zinc/86/31/59/181863159.db2.gz PSVJNHHMQCNFFH-UHFFFAOYSA-N 0 0 238.290 2.534 50 0 BFAARN CN1C(=O)O[C@@]2(C)CCc3ccccc3[C@]12C ZINC000003958387 372100285 /nfs/dbraw/zinc/10/02/85/372100285.db2.gz CTDWXPWFRVKRSF-KBPBESRZSA-N 0 0 231.295 2.689 50 0 BFAARN CCCc1ncc(NC(=O)/C=C\C(C)(C)C)cn1 ZINC000606442301 372103148 /nfs/dbraw/zinc/10/31/48/372103148.db2.gz NBRPQOHUPSHHDM-FPLPWBNLSA-N 0 0 247.342 2.970 50 0 BFAARN CCCCCNC(=O)Cc1ccc(OC)cc1 ZINC000004151040 372153005 /nfs/dbraw/zinc/15/30/05/372153005.db2.gz SLQDOAXYSIZYPS-UHFFFAOYSA-N 0 0 235.327 2.544 50 0 BFAARN CCCCN1C(=O)c2ccccc2[C@H]1OC ZINC000009144717 168826618 /nfs/dbraw/zinc/82/66/18/168826618.db2.gz QRSFCYOSRUYIPJ-CYBMUJFWSA-N 0 0 219.284 2.588 50 0 BFAARN O=C(CCC1OCCCO1)c1ccccc1F ZINC000002581209 181907071 /nfs/dbraw/zinc/90/70/71/181907071.db2.gz OZPDJANGVDXXCP-UHFFFAOYSA-N 0 0 238.258 2.552 50 0 BFAARN O=C(CCC1CCCC1)NCc1ccncc1 ZINC000005937098 181906443 /nfs/dbraw/zinc/90/64/43/181906443.db2.gz KIWIYOWEJOCXQX-UHFFFAOYSA-N 0 0 232.327 2.668 50 0 BFAARN O=C(CCc1cccnc1)c1ccccc1 ZINC000062165580 181933497 /nfs/dbraw/zinc/93/34/97/181933497.db2.gz VUZLPVAXOHPRLL-UHFFFAOYSA-N 0 0 211.264 2.897 50 0 BFAARN O=C(CCc1cccc(F)c1)Nc1cccnc1 ZINC000010742137 181930173 /nfs/dbraw/zinc/93/01/73/181930173.db2.gz BZTLCFZAWXGERO-UHFFFAOYSA-N 0 0 244.269 2.792 50 0 BFAARN Cc1cc(C)nc(NC(=O)/C=C/c2ccco2)c1 ZINC000008548806 372755904 /nfs/dbraw/zinc/75/59/04/372755904.db2.gz IRTLHUMHZOSPLL-AATRIKPKSA-N 0 0 242.278 2.943 50 0 BFAARN O=c1nc[nH]c2scc(-c3ccsc3)c21 ZINC000008579302 372773645 /nfs/dbraw/zinc/77/36/45/372773645.db2.gz DUKSWLVZNWKJAU-UHFFFAOYSA-N 0 0 234.305 2.713 50 0 BFAARN O=C(COc1ccccc1O)c1ccccc1 ZINC000003191718 182004372 /nfs/dbraw/zinc/00/43/72/182004372.db2.gz SRWMBEBMODVBRK-UHFFFAOYSA-N 0 0 228.247 2.654 50 0 BFAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)cnn1C ZINC000008747690 372877360 /nfs/dbraw/zinc/87/73/60/372877360.db2.gz ZSBVFPFADASZQJ-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN C[C@H](NC(=O)/C=C/c1cccc(F)c1)C1CC1 ZINC000008704086 372859948 /nfs/dbraw/zinc/85/99/48/372859948.db2.gz CMDPYFDXJATNOQ-YVFTVSHDSA-N 0 0 233.286 2.754 50 0 BFAARN O=C(COc1ccccc1)Nc1cccc(F)c1 ZINC000000128333 182003586 /nfs/dbraw/zinc/00/35/86/182003586.db2.gz VTCNQCNGFQNSAO-UHFFFAOYSA-N 0 0 245.253 2.843 50 0 BFAARN O=C(C[C@@H]1C=CCC1)NCc1cccc(F)c1 ZINC000040498519 182013991 /nfs/dbraw/zinc/01/39/91/182013991.db2.gz AKSAALJGBRMXNX-LLVKDONJSA-N 0 0 233.286 2.798 50 0 BFAARN O=C(C[C@H]1C=CCC1)NCCc1ccccc1F ZINC000032739419 182024502 /nfs/dbraw/zinc/02/45/02/182024502.db2.gz FAVBNXJMUFXOFM-LBPRGKRZSA-N 0 0 247.313 2.841 50 0 BFAARN O=C(C[C@H]1C=CCC1)NCCc1ccccc1 ZINC000039978427 182025309 /nfs/dbraw/zinc/02/53/09/182025309.db2.gz UILYKNRQLDDCAP-AWEZNQCLSA-N 0 0 229.323 2.702 50 0 BFAARN O=C(Cc1ccc(Cl)cc1Cl)NC1CC1 ZINC000005062280 182035513 /nfs/dbraw/zinc/03/55/13/182035513.db2.gz MICAOVQSXLZOFH-UHFFFAOYSA-N 0 0 244.121 2.815 50 0 BFAARN O=C(Cc1ccc(F)c(F)c1)C(F)(F)F ZINC000002579851 182035590 /nfs/dbraw/zinc/03/55/90/182035590.db2.gz JZJKHDVRFCURQS-UHFFFAOYSA-N 0 0 224.128 2.639 50 0 BFAARN O=C(Cc1ccc(F)cc1)N1CCCCCC1 ZINC000000860155 182036211 /nfs/dbraw/zinc/03/62/11/182036211.db2.gz GQGYIULBDFLSNO-UHFFFAOYSA-N 0 0 235.302 2.771 50 0 biogenic BFAARN O=C(c1cccc2cn[nH]c21)N1CCCCCC1 ZINC000039555725 372998191 /nfs/dbraw/zinc/99/81/91/372998191.db2.gz XTXKYEPAZUKTKG-UHFFFAOYSA-N 0 0 243.310 2.579 50 0 BFAARN O=C(Cc1ccccc1)N1CCCCCC1 ZINC000004019998 182043457 /nfs/dbraw/zinc/04/34/57/182043457.db2.gz YQFGAISEJFMVGK-UHFFFAOYSA-N 0 0 217.312 2.632 50 0 BFAARN O=C(Cc1ccccc1)NCc1ccc(F)cc1 ZINC000000451749 182044391 /nfs/dbraw/zinc/04/43/91/182044391.db2.gz NCLMXWPRYXKUCE-UHFFFAOYSA-N 0 0 243.281 2.685 50 0 BFAARN O=C(Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000004701836 182044394 /nfs/dbraw/zinc/04/43/94/182044394.db2.gz OLEYLXPQZIODGT-BFHYXJOUSA-N 0 0 229.323 2.534 50 0 BFAARN O=C(Cc1ccccn1)C1CCCCC1 ZINC000034940312 182045995 /nfs/dbraw/zinc/04/59/95/182045995.db2.gz TUHXHZSLOAQJFM-UHFFFAOYSA-N 0 0 203.285 2.774 50 0 BFAARN CC[C@@H](Nc1cc(C)ccc1C)C(=O)OC ZINC000040019931 373089056 /nfs/dbraw/zinc/08/90/56/373089056.db2.gz AFJGEBDFIXVYNW-LLVKDONJSA-N 0 0 221.300 2.667 50 0 BFAARN COc1ccccc1NC(=O)CC(F)(F)F ZINC000040050933 373099027 /nfs/dbraw/zinc/09/90/27/373099027.db2.gz OPKQBJAJIXUZHU-UHFFFAOYSA-N 0 0 233.189 2.586 50 0 BFAARN CC(C)CSCC(=O)NC1CCCCC1 ZINC000040059291 373099130 /nfs/dbraw/zinc/09/91/30/373099130.db2.gz YHSMBSNJPGOTAZ-UHFFFAOYSA-N 0 0 229.389 2.825 50 0 BFAARN C[C@@H](Cc1ccco1)NC(=O)CC(C)(C)C ZINC000040074725 373102152 /nfs/dbraw/zinc/10/21/52/373102152.db2.gz PZOFYOKWBUCVJF-JTQLQIEISA-N 0 0 223.316 2.763 50 0 BFAARN O=C(NC1CC1)C1(c2cccc(F)c2)CCC1 ZINC000024592756 182094394 /nfs/dbraw/zinc/09/43/94/182094394.db2.gz WDPQXVHZMMHIOY-UHFFFAOYSA-N 0 0 233.286 2.526 50 0 BFAARN Nc1c(Cl)ncnc1Oc1ccc(F)cc1 ZINC000040428135 373261843 /nfs/dbraw/zinc/26/18/43/373261843.db2.gz UKPMBTJCCHSJPB-UHFFFAOYSA-N 0 0 239.637 2.644 50 0 BFAARN O=C(NC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000006329217 182100563 /nfs/dbraw/zinc/10/05/63/182100563.db2.gz QXFRUJRRWOBNPQ-UHFFFAOYSA-N 0 0 230.094 2.886 50 0 BFAARN Cc1cc(CN2CCC[C@@H](C(F)(F)F)C2)on1 ZINC000040475863 373294229 /nfs/dbraw/zinc/29/42/29/373294229.db2.gz KOJCEVXFISSQQJ-SECBINFHSA-N 0 0 248.248 2.757 50 0 BFAARN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)o1 ZINC000040488470 373313749 /nfs/dbraw/zinc/31/37/49/373313749.db2.gz XOFZAJQBRPFETK-AOOOYVTPSA-N 0 0 221.300 2.706 50 0 BFAARN CCN(C(=O)[C@H]1C[C@@H]1C)c1ccccc1 ZINC000040461134 373280603 /nfs/dbraw/zinc/28/06/03/373280603.db2.gz PRCBUJIYNLCWPF-JQWIXIFHSA-N 0 0 203.285 2.696 50 0 BFAARN O=C(NC1CCCC1)c1cccc2cccnc21 ZINC000008074839 182112017 /nfs/dbraw/zinc/11/20/17/182112017.db2.gz PBVALSJHQMLPDM-UHFFFAOYSA-N 0 0 240.306 2.907 50 0 BFAARN O=C(NC1CCCCC1)OCC(F)(F)F ZINC000007717062 182113165 /nfs/dbraw/zinc/11/31/65/182113165.db2.gz RBZWLYFELFNTOQ-UHFFFAOYSA-N 0 0 225.210 2.608 50 0 BFAARN O=C(NC1CCCCCC1)c1cscn1 ZINC000041499322 182114366 /nfs/dbraw/zinc/11/43/66/182114366.db2.gz AMBIAKJXMAGRLQ-UHFFFAOYSA-N 0 0 224.329 2.596 50 0 BFAARN CC(C)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000040514160 373415815 /nfs/dbraw/zinc/41/58/15/373415815.db2.gz ADVHVINFYDXKIB-UHFFFAOYSA-N 0 0 238.234 2.756 50 0 BFAARN CCCCNC(=O)COc1cccc(Cl)c1 ZINC000005419689 168845557 /nfs/dbraw/zinc/84/55/57/168845557.db2.gz KBSNMPQVBXUASB-UHFFFAOYSA-N 0 0 241.718 2.635 50 0 BFAARN CC(C)CO[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000040521098 373445406 /nfs/dbraw/zinc/44/54/06/373445406.db2.gz HTAKQRWIYDYUKA-QWHCGFSZSA-N 0 0 249.354 2.925 50 0 BFAARN CCN(CC)C(=O)Cc1csc(C(C)C)n1 ZINC000040523245 373446763 /nfs/dbraw/zinc/44/67/63/373446763.db2.gz QDWUICBNXNSASF-UHFFFAOYSA-N 0 0 240.372 2.677 50 0 BFAARN COCc1ccccc1NC(=O)NC1CCCC1 ZINC000040527942 373456012 /nfs/dbraw/zinc/45/60/12/373456012.db2.gz CRFOSBGHPXHBBS-UHFFFAOYSA-N 0 0 248.326 2.897 50 0 BFAARN CC(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000040534525 373460467 /nfs/dbraw/zinc/46/04/67/373460467.db2.gz LHXWWONLHYOWJB-UHFFFAOYSA-N 0 0 242.278 2.510 50 0 BFAARN CCc1nc(NC(=O)c2ccoc2)sc1C ZINC000040539542 373460618 /nfs/dbraw/zinc/46/06/18/373460618.db2.gz RYXOKENLHHCCGF-UHFFFAOYSA-N 0 0 236.296 2.859 50 0 BFAARN O=C(NCC1(c2cccs2)CC1)C1CCC1 ZINC000038592919 182132118 /nfs/dbraw/zinc/13/21/18/182132118.db2.gz RAFDMSFDERCPEX-UHFFFAOYSA-N 0 0 235.352 2.696 50 0 BFAARN CC(C)CC[C@H](C)NC(=O)Cc1ccccc1O ZINC000069598637 373506532 /nfs/dbraw/zinc/50/65/32/373506532.db2.gz AZNNOOBDLOANFC-LBPRGKRZSA-N 0 0 249.354 2.876 50 0 BFAARN CC(C)c1cc(C(=O)NCc2cccs2)[nH]n1 ZINC000040553315 373489755 /nfs/dbraw/zinc/48/97/55/373489755.db2.gz LGYRVIPKHGGQKA-UHFFFAOYSA-N 0 0 249.339 2.525 50 0 BFAARN O=C(NCC1CC1)c1ccc(F)cc1Cl ZINC000032909806 182142319 /nfs/dbraw/zinc/14/23/19/182142319.db2.gz XOGQLLBYMNFXNP-UHFFFAOYSA-N 0 0 227.666 2.619 50 0 BFAARN O=C(NCC1CCCCC1)c1ccco1 ZINC000001053327 182146402 /nfs/dbraw/zinc/14/64/02/182146402.db2.gz ZRZIOXGPJXUTCA-UHFFFAOYSA-N 0 0 207.273 2.590 50 0 BFAARN CCCCNC(=O)N1c2ccccc2C[C@H]1C ZINC000006731768 168849757 /nfs/dbraw/zinc/84/97/57/168849757.db2.gz DSTZGTMWHFCETE-LLVKDONJSA-N 0 0 232.327 2.947 50 0 BFAARN O=C(NCCc1ccc(F)cc1)[C@H]1CC=CCC1 ZINC000036395753 182202197 /nfs/dbraw/zinc/20/21/97/182202197.db2.gz YPENJHIBSMFXCP-ZDUSSCGKSA-N 0 0 247.313 2.841 50 0 BFAARN O=C(NCCc1cccc(F)c1)c1cccs1 ZINC000018136688 182202853 /nfs/dbraw/zinc/20/28/53/182202853.db2.gz HYYYCBZGUBVLGV-UHFFFAOYSA-N 0 0 249.310 2.860 50 0 BFAARN O=C(NCCc1cccc(F)c1)[C@H]1CC=CCC1 ZINC000032745066 182203308 /nfs/dbraw/zinc/20/33/08/182203308.db2.gz LDEQCCOLIYLVQK-ZDUSSCGKSA-N 0 0 247.313 2.841 50 0 BFAARN O=C(NCCc1ccc[nH]1)c1ccc(Cl)cc1 ZINC000089767989 182203579 /nfs/dbraw/zinc/20/35/79/182203579.db2.gz LCSRPIKCPGNICN-UHFFFAOYSA-N 0 0 248.713 2.641 50 0 BFAARN O=C(NCCc1cccs1)c1cccc(F)c1 ZINC000021475149 182209499 /nfs/dbraw/zinc/20/94/99/182209499.db2.gz YNUUYTPCEHPZBH-UHFFFAOYSA-N 0 0 249.310 2.860 50 0 BFAARN O=C(NCCc1ccoc1)Nc1ccc(F)cc1 ZINC000090607453 182209506 /nfs/dbraw/zinc/20/95/06/182209506.db2.gz RQOIUXBHFZEFKZ-UHFFFAOYSA-N 0 0 248.257 2.783 50 0 BFAARN CCCCC(=O)n1c2cc(C)ccc2oc1=O ZINC000009528521 374145164 /nfs/dbraw/zinc/14/51/64/374145164.db2.gz VXDGFFQKUAXCCD-UHFFFAOYSA-N 0 0 233.267 2.733 50 0 BFAARN O=C(NCc1cccc(F)c1)c1ccccc1 ZINC000046730313 182254901 /nfs/dbraw/zinc/25/49/01/182254901.db2.gz RKPOVXFJMYIDGM-UHFFFAOYSA-N 0 0 229.254 2.756 50 0 BFAARN Cc1ccc(F)cc1C(=O)Nc1nccs1 ZINC000009953199 374262117 /nfs/dbraw/zinc/26/21/17/374262117.db2.gz UNIBFPYHOKFLLT-UHFFFAOYSA-N 0 0 236.271 2.843 50 0 BFAARN O=C(NCc1ccccc1)c1cc(F)cc(F)c1 ZINC000007608838 182256821 /nfs/dbraw/zinc/25/68/21/182256821.db2.gz MBJBMIQSQJVPOB-UHFFFAOYSA-N 0 0 247.244 2.895 50 0 BFAARN O=C(NCc1ccccc1)c1ccc(F)cc1F ZINC000006529538 182257237 /nfs/dbraw/zinc/25/72/37/182257237.db2.gz UVJXZLAXOGICPM-UHFFFAOYSA-N 0 0 247.244 2.895 50 0 BFAARN O=C(NCc1ccccc1F)Nc1cccnc1 ZINC000009379469 182257315 /nfs/dbraw/zinc/25/73/15/182257315.db2.gz WNPBVNWBJZQZFJ-UHFFFAOYSA-N 0 0 245.257 2.542 50 0 BFAARN O=C(NCc1cccnc1)Nc1ccccc1F ZINC000000480150 182259224 /nfs/dbraw/zinc/25/92/24/182259224.db2.gz HYTNMELRKNHNGH-UHFFFAOYSA-N 0 0 245.257 2.542 50 0 BFAARN O=C(NCc1nc2ccccc2s1)C1CCC1 ZINC000032986093 182272636 /nfs/dbraw/zinc/27/26/36/182272636.db2.gz YTUJSIVPBCDRBS-UHFFFAOYSA-N 0 0 246.335 2.713 50 0 BFAARN O=C(NO[C@@H]1CCCCO1)C1CCCCCC1 ZINC000072078110 182285008 /nfs/dbraw/zinc/28/50/08/182285008.db2.gz BBQAOVIRDBKQFY-GFCCVEGCSA-N 0 0 241.331 2.531 50 0 BFAARN O=C(NOCc1ccccc1)Nc1ccccc1 ZINC000000041395 182283885 /nfs/dbraw/zinc/28/38/85/182283885.db2.gz AGVZBCZHWKBGBO-UHFFFAOYSA-N 0 0 242.278 2.940 50 0 BFAARN Cc1nc(-c2cccc(Cl)c2F)nn1C ZINC000426423086 206046437 /nfs/dbraw/zinc/04/64/37/206046437.db2.gz QLZHPXXBRVLTJU-UHFFFAOYSA-N 0 0 225.654 2.583 50 0 BFAARN Cc1cc(F)cc(-c2ccc(NC3CC3)nn2)c1 ZINC000426425134 206048168 /nfs/dbraw/zinc/04/81/68/206048168.db2.gz CONHKWJHDCUKID-UHFFFAOYSA-N 0 0 243.285 2.587 50 0 BFAARN CCc1n[nH]c(C)c1-c1cccc(OC)c1OC ZINC000426563578 206052974 /nfs/dbraw/zinc/05/29/74/206052974.db2.gz ZJJKOQNGYNLQEW-UHFFFAOYSA-N 0 0 246.310 2.965 50 0 BFAARN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000055274561 182299518 /nfs/dbraw/zinc/29/95/18/182299518.db2.gz GTRRRNMDQVLUAB-DTWKUNHWSA-N 0 0 235.249 2.634 50 0 BFAARN O=C(N[C@H]1CCSc2ccccc21)C1CC1 ZINC000008848258 182338568 /nfs/dbraw/zinc/33/85/68/182338568.db2.gz PQBMKXHXYUHGQP-NSHDSACASA-N 0 0 233.336 2.750 50 0 BFAARN O=C(Nc1ccc(F)cc1)c1cccc(O)c1 ZINC000019839541 182357055 /nfs/dbraw/zinc/35/70/55/182357055.db2.gz HNEJDARAUWWGIN-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1ccc(Cl)cc1)N1CCCC1 ZINC000000276262 182352399 /nfs/dbraw/zinc/35/23/99/182352399.db2.gz RTBUUFKTGZOHCA-UHFFFAOYSA-N 0 0 224.691 2.968 50 0 BFAARN O=C(Nc1ccc(Cl)c(F)c1)NC1CC1 ZINC000048478964 182352669 /nfs/dbraw/zinc/35/26/69/182352669.db2.gz KIZYWLRNQOSJPH-UHFFFAOYSA-N 0 0 228.654 2.763 50 0 BFAARN O=C(Nc1ccc(Cl)cc1)c1cccnc1 ZINC000000029540 182353619 /nfs/dbraw/zinc/35/36/19/182353619.db2.gz UHINZWOAWHEUAU-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1ccc(Cl)cn1)c1ccoc1 ZINC000026088869 182354154 /nfs/dbraw/zinc/35/41/54/182354154.db2.gz FGJIZYCUCNZCJD-UHFFFAOYSA-N 0 0 222.631 2.580 50 0 BFAARN O=C(Nc1c[nH]c2ccccc12)c1cccnc1 ZINC000019745913 182346548 /nfs/dbraw/zinc/34/65/48/182346548.db2.gz HWGVPBKUFJJJDU-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 BFAARN O=C(Nc1cc(F)ccc1F)c1ccncc1 ZINC000003611338 182349624 /nfs/dbraw/zinc/34/96/24/182349624.db2.gz BKJCXINPVIIVSO-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1ccc(O)cc1)Nc1ccncc1F ZINC000170604293 182359027 /nfs/dbraw/zinc/35/90/27/182359027.db2.gz XCAXFNQPBZUGLS-UHFFFAOYSA-N 0 0 247.229 2.570 50 0 BFAARN O=C(Nc1ccc(O)cc1)C1CCCCC1 ZINC000000409053 182359240 /nfs/dbraw/zinc/35/92/40/182359240.db2.gz SPELRQCTCINJTP-UHFFFAOYSA-N 0 0 219.284 2.911 50 0 BFAARN O=C(Nc1cccc(Cl)c1)c1ccncc1 ZINC000000119507 182367809 /nfs/dbraw/zinc/36/78/09/182367809.db2.gz OPWMFMHXJKJGGZ-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1ccc2[nH]cnc2c1)c1cccs1 ZINC000004625638 182366546 /nfs/dbraw/zinc/36/65/46/182366546.db2.gz LMJKYKFNFJYMDG-UHFFFAOYSA-N 0 0 243.291 2.877 50 0 BFAARN O=C(Nc1cccc2nonc21)c1cccs1 ZINC000001432998 182374671 /nfs/dbraw/zinc/37/46/71/182374671.db2.gz ZEUZRZFYZCXMFB-UHFFFAOYSA-N 0 0 245.263 2.537 50 0 BFAARN O=C(Nc1cccc2ncccc21)NC1CC1 ZINC000043431830 182374696 /nfs/dbraw/zinc/37/46/96/182374696.db2.gz CDJSTCNFRBAWJK-UHFFFAOYSA-N 0 0 227.267 2.519 50 0 BFAARN O=C(Nc1ccccc1F)c1cc(C2CC2)[nH]n1 ZINC000040062827 182379037 /nfs/dbraw/zinc/37/90/37/182379037.db2.gz WPQGTASEWIQETP-UHFFFAOYSA-N 0 0 245.257 2.679 50 0 BFAARN O=C(Nc1cccc2ccccc21)c1cnccn1 ZINC000000190501 182373998 /nfs/dbraw/zinc/37/39/98/182373998.db2.gz DPOBQSKOFIYTHX-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1cccc2ncccc21)c1ccncc1 ZINC000000810239 182374305 /nfs/dbraw/zinc/37/43/05/182374305.db2.gz SMXJCOUXQASYKW-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1ccsc1Cl)C1CCOCC1 ZINC000240540919 182390771 /nfs/dbraw/zinc/39/07/71/182390771.db2.gz GQHDDRIQGAMHCN-UHFFFAOYSA-N 0 0 245.731 2.767 50 0 BFAARN O=C(Nc1ccccc1O)c1ccccc1F ZINC000000363800 182380371 /nfs/dbraw/zinc/38/03/71/182380371.db2.gz HBBHURJKQORUGP-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1ccccn1)c1ccc(F)c(F)c1 ZINC000032902570 182382495 /nfs/dbraw/zinc/38/24/95/182382495.db2.gz ODYILJHIRFSKSN-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1ccncc1)OC1CCCC1 ZINC000000067695 182386955 /nfs/dbraw/zinc/38/69/55/182386955.db2.gz NPOTUEJGZRQTOE-UHFFFAOYSA-N 0 0 206.245 2.573 50 0 BFAARN O=C(Nc1nc2c(cccc2F)s1)C1CC1 ZINC000004331579 182397463 /nfs/dbraw/zinc/39/74/63/182397463.db2.gz WLYDTCOJYONVPD-UHFFFAOYSA-N 0 0 236.271 2.784 50 0 BFAARN O=C(Nc1nc2ccccc2[nH]1)[C@@H]1CC=CCC1 ZINC000006657556 182397669 /nfs/dbraw/zinc/39/76/69/182397669.db2.gz UIKQDARYVMXTGF-SNVBAGLBSA-N 0 0 241.294 2.858 50 0 BFAARN O=C(Nc1nc2ccccc2s1)C1CC1 ZINC000000138140 182398540 /nfs/dbraw/zinc/39/85/40/182398540.db2.gz VUESFSSHPAEPBQ-UHFFFAOYSA-N 0 0 218.281 2.645 50 0 BFAARN CCCCNc1ccccc1C(=O)OC ZINC000008703131 168880402 /nfs/dbraw/zinc/88/04/02/168880402.db2.gz PEFDATUXUCRRKT-UHFFFAOYSA-N 0 0 207.273 2.685 50 0 BFAARN CCOC(=O)CCCCCCCC(=O)OCC ZINC000001690605 170198579 /nfs/dbraw/zinc/19/85/79/170198579.db2.gz CQMYCPZZIPXILQ-UHFFFAOYSA-N 0 0 244.331 2.843 50 0 BFAARN CCOC(=O)CCC(=O)c1cc(F)ccc1C ZINC000002580551 170198628 /nfs/dbraw/zinc/19/86/28/170198628.db2.gz XZFPUGAUCASSCG-UHFFFAOYSA-N 0 0 238.258 2.660 50 0 BFAARN O=C(O[C@@H]1C=CCCC1)c1ccccc1 ZINC000000405122 182607890 /nfs/dbraw/zinc/60/78/90/182607890.db2.gz APZIYLKXAJJSIZ-GFCCVEGCSA-N 0 0 202.253 2.952 50 0 BFAARN O=C(Oc1cccnc1)c1ccc(Cl)cc1 ZINC000000316399 182610629 /nfs/dbraw/zinc/61/06/29/182610629.db2.gz CMTWKLWYLFOQRV-UHFFFAOYSA-N 0 0 233.654 2.954 50 0 BFAARN CCCCOC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000012568334 168887399 /nfs/dbraw/zinc/88/73/99/168887399.db2.gz GKCJRWRTMMVNDX-UHFFFAOYSA-N 0 0 237.299 2.791 50 0 BFAARN O=C(c1cccs1)[C@@H](O)c1cccs1 ZINC000000132534 182687701 /nfs/dbraw/zinc/68/77/01/182687701.db2.gz OGWZIOZTPNLTCR-VIFPVBQESA-N 0 0 224.306 2.726 50 0 BFAARN O=C(c1cccnc1)c1cccc(Cl)c1 ZINC000003844313 182683955 /nfs/dbraw/zinc/68/39/55/182683955.db2.gz MDGKXQYPOIIMHW-UHFFFAOYSA-N 0 0 217.655 2.966 50 0 BFAARN O=C(c1ccoc1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000095401748 182691829 /nfs/dbraw/zinc/69/18/29/182691829.db2.gz WDWSATKCEFDDAF-JQWIXIFHSA-N 0 0 219.284 2.684 50 0 BFAARN O=C1CCSc2ccc(Cl)cc2N1 ZINC000004013693 182746137 /nfs/dbraw/zinc/74/61/37/182746137.db2.gz FWGFLNZELROVRY-UHFFFAOYSA-N 0 0 213.689 2.774 50 0 BFAARN O=C1CCc2ccc(OC(F)(F)F)cc21 ZINC000042405053 182757398 /nfs/dbraw/zinc/75/73/98/182757398.db2.gz USUMKWGNHPAWFX-UHFFFAOYSA-N 0 0 216.158 2.714 50 0 BFAARN O=C1N=C(c2ccccc2)[C@@H](c2ccccc2)N1 ZINC000003866322 182790748 /nfs/dbraw/zinc/79/07/48/182790748.db2.gz UXKWMBYYIUTXCY-CYBMUJFWSA-N 0 0 236.274 2.940 50 0 BFAARN O=C1N[C@@H]([C@@H]2CC=CCC2)Nc2ccccc21 ZINC000000150112 182818058 /nfs/dbraw/zinc/81/80/58/182818058.db2.gz KORVABRTGPOWDA-MFKMUULPSA-N 0 0 228.295 2.524 50 0 BFAARN O=C1N[C@H](c2ccccc2)Nc2ccccc21 ZINC000000115262 182820638 /nfs/dbraw/zinc/82/06/38/182820638.db2.gz BIVGFFFLVZMILM-CYBMUJFWSA-N 0 0 224.263 2.541 50 0 BFAARN O=C1OC(c2ccco2)=N/C1=C\c1cccs1 ZINC000004588910 182826784 /nfs/dbraw/zinc/82/67/84/182826784.db2.gz ICWDLELKWPAHQS-CLFYSBASSA-N 0 0 245.259 2.686 50 0 BFAARN O=C1O[C@@H](c2ccccc2)C(Cl)=C1Cl ZINC000000081383 182836298 /nfs/dbraw/zinc/83/62/98/182836298.db2.gz DCZUHULHKRPPLT-VIFPVBQESA-N 0 0 229.062 2.974 50 0 BFAARN O=Cc1cc(F)cc(OC(F)(F)F)c1 ZINC000087493243 182863329 /nfs/dbraw/zinc/86/33/29/182863329.db2.gz QIBNSINERFPXSF-UHFFFAOYSA-N 0 0 208.110 2.537 50 0 BFAARN O=Cc1ccc(COc2ccccc2)o1 ZINC000002578475 182868085 /nfs/dbraw/zinc/86/80/85/182868085.db2.gz UEFQGYJMYZTWIJ-UHFFFAOYSA-N 0 0 202.209 2.671 50 0 BFAARN O=Cc1ccc(OC2CCCCC2)nc1 ZINC000012359603 182868499 /nfs/dbraw/zinc/86/84/99/182868499.db2.gz KTDSNAKFASLMHF-UHFFFAOYSA-N 0 0 205.257 2.606 50 0 BFAARN O=[N+]([O-])/C=C/c1cccc(Br)c1 ZINC000002559394 182918966 /nfs/dbraw/zinc/91/89/66/182918966.db2.gz NWHBBZILZXZIBO-SNAWJCMRSA-N 0 0 228.045 2.697 50 0 BFAARN O=c1ccc(C(F)(F)F)nn1[C@@H]1C=CCCC1 ZINC000178878229 183000008 /nfs/dbraw/zinc/00/00/08/183000008.db2.gz LMIPHYKKKHJZFL-MRVPVSSYSA-N 0 0 244.216 2.543 50 0 BFAARN O=c1ccn(-c2ccncc2Cl)cc1Cl ZINC000097756664 183003975 /nfs/dbraw/zinc/00/39/75/183003975.db2.gz KXSNQLWTBMVSNM-UHFFFAOYSA-N 0 0 241.077 2.539 50 0 BFAARN O=c1nc(Cl)cc(Cl)n1-c1ccccc1 ZINC000071782123 183009825 /nfs/dbraw/zinc/00/98/25/183009825.db2.gz OQPLEQVMWQSUFG-UHFFFAOYSA-N 0 0 241.077 2.539 50 0 BFAARN O=c1oc(-c2ccccc2)nc2ccccc21 ZINC000000094053 183011663 /nfs/dbraw/zinc/01/16/63/183011663.db2.gz HTTLBYITFHMYFK-UHFFFAOYSA-N 0 0 223.231 2.855 50 0 BFAARN O=c1oc(-c2cccs2)nn1[C@H]1C=CCCC1 ZINC000058428229 183012011 /nfs/dbraw/zinc/01/20/11/183012011.db2.gz WKQNQLXAGRGYQU-VIFPVBQESA-N 0 0 248.307 2.846 50 0 BFAARN O=C1NC(=S)SC1=Cc1ccoc1 ZINC000002573471 183024676 /nfs/dbraw/zinc/02/46/76/183024676.db2.gz BOLSPCFXBKVASD-ZZXKWVIFSA-N 0 0 211.267 2.609 50 0 BFAARN OCCCNc1ccnc2cc(Cl)ccc21 ZINC000001629356 183060626 /nfs/dbraw/zinc/06/06/26/183060626.db2.gz MCVPFDOUKZBWJF-UHFFFAOYSA-N 0 0 236.702 2.683 50 0 BFAARN OCCc1ccccc1OCc1ccccc1 ZINC000002513708 183100196 /nfs/dbraw/zinc/10/01/96/183100196.db2.gz KAMXYCVETYXNSB-UHFFFAOYSA-N 0 0 228.291 2.800 50 0 BFAARN CCCCc1ccc(N2CN=NC2=S)cc1 ZINC000005946379 169019000 /nfs/dbraw/zinc/01/90/00/169019000.db2.gz OZLUGROCSLOCIG-UHFFFAOYSA-N 0 0 233.340 2.899 50 0 BFAARN CCCCc1ccc2[nH]c(=NN)sc2c1 ZINC000002455657 169025038 /nfs/dbraw/zinc/02/50/38/169025038.db2.gz VYVWGAHDVKULNF-UHFFFAOYSA-N 0 0 221.329 2.925 50 0 BFAARN CCCCc1nc(N)nc2c1C(=O)CC(C)(C)C2 ZINC000023634130 169026127 /nfs/dbraw/zinc/02/61/27/169026127.db2.gz XBGWNXVJTNMJRP-UHFFFAOYSA-N 0 0 247.342 2.557 50 0 BFAARN CCCCc1ncncc1Br ZINC000015021315 169027627 /nfs/dbraw/zinc/02/76/27/169027627.db2.gz LLPITUMEHNOXPJ-UHFFFAOYSA-N 0 0 215.094 2.582 50 0 BFAARN CCCCc1nncn1-c1cccc(C(C)=O)c1 ZINC000067713891 169028550 /nfs/dbraw/zinc/02/85/50/169028550.db2.gz DPPBOZSHIKBCLS-UHFFFAOYSA-N 0 0 243.310 2.813 50 0 BFAARN CCCCC1N=NC(=S)N1Cc1ccccc1 ZINC000006359943 169028971 /nfs/dbraw/zinc/02/89/71/169028971.db2.gz PPWUMFUHHNNGPZ-UHFFFAOYSA-N 0 0 247.367 2.958 50 0 BFAARN CCCCn1cnc2sc3c(c2c1=O)CCC3 ZINC000001775298 169037174 /nfs/dbraw/zinc/03/71/74/169037174.db2.gz HQFJOOXQBKKWAC-UHFFFAOYSA-N 0 0 248.351 2.747 50 0 BFAARN OCc1ccc(Cc2cccs2)cc1 ZINC000014989052 183165075 /nfs/dbraw/zinc/16/50/75/183165075.db2.gz MJRUXWBVBNJBPQ-UHFFFAOYSA-N 0 0 204.294 2.831 50 0 BFAARN OCc1c(F)c(Br)ccc1Cl ZINC000075925975 183159883 /nfs/dbraw/zinc/15/98/83/183159883.db2.gz UWFMYMWZKSJVRV-UHFFFAOYSA-N 0 0 239.471 2.734 50 0 BFAARN OCc1cc(Cl)ccc1Br ZINC000015442658 183161402 /nfs/dbraw/zinc/16/14/02/183161402.db2.gz YOLUSOFTODTRQV-UHFFFAOYSA-N 0 0 221.481 2.595 50 0 BFAARN OCc1ccc(-c2ccc(F)cc2)cc1 ZINC000001260606 183161623 /nfs/dbraw/zinc/16/16/23/183161623.db2.gz ZSWIVXLMMVNSCM-UHFFFAOYSA-N 0 0 202.228 2.985 50 0 BFAARN OCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000002527771 183161890 /nfs/dbraw/zinc/16/18/90/183161890.db2.gz RHHJWEABQQBUAC-UHFFFAOYSA-N 0 0 210.582 2.851 50 0 BFAARN OCc1ccc(C(F)(F)F)c(Cl)c1 ZINC000002540214 183163391 /nfs/dbraw/zinc/16/33/91/183163391.db2.gz ILMGAIHSRGUIOL-UHFFFAOYSA-N 0 0 210.582 2.851 50 0 BFAARN OCc1ccc(-n2cnc3ccccc32)cc1 ZINC000000168836 183164011 /nfs/dbraw/zinc/16/40/11/183164011.db2.gz IRZKUEWQJPIBJF-UHFFFAOYSA-N 0 0 224.263 2.518 50 0 BFAARN O[C@@H](c1ccc(Br)cc1)C1CC1 ZINC000000129328 183185230 /nfs/dbraw/zinc/18/52/30/183185230.db2.gz PLVQKMYLBFYJHT-SNVBAGLBSA-N 0 0 227.101 2.893 50 0 BFAARN OCc1ccc(OCc2cccs2)cc1 ZINC000004838944 183165864 /nfs/dbraw/zinc/16/58/64/183165864.db2.gz UZNGEKMXBSLGLX-UHFFFAOYSA-N 0 0 220.293 2.819 50 0 BFAARN OCc1ccc(SC(F)(F)F)cc1 ZINC000002560231 183165896 /nfs/dbraw/zinc/16/58/96/183165896.db2.gz KCWQNXIWNNTUIJ-UHFFFAOYSA-N 0 0 208.204 2.791 50 0 in-vitro BFAARN OCc1cccc(OCc2ccc(Cl)cn2)c1 ZINC000097148471 183168133 /nfs/dbraw/zinc/16/81/33/183168133.db2.gz OEBSLUVVFVDGGN-UHFFFAOYSA-N 0 0 249.697 2.806 50 0 BFAARN OCc1cccc(OCc2ccccc2)c1 ZINC000000406921 183168233 /nfs/dbraw/zinc/16/82/33/183168233.db2.gz AFKLSWIRJUJWKY-UHFFFAOYSA-N 0 0 214.264 2.758 50 0 in-vitro BFAARN OCc1ccccc1OCc1ccccc1 ZINC000000516901 183168615 /nfs/dbraw/zinc/16/86/15/183168615.db2.gz XRZMRABYCSOXIZ-UHFFFAOYSA-N 0 0 214.264 2.758 50 0 BFAARN OCc1nc(NCc2ccccc2)ccc1Cl ZINC000095990303 183170255 /nfs/dbraw/zinc/17/02/55/183170255.db2.gz CEACIBYIVIXVFT-UHFFFAOYSA-N 0 0 248.713 2.839 50 0 BFAARN O[C@@H](Cn1cnc2ccccc21)c1ccccc1 ZINC000001649243 183185084 /nfs/dbraw/zinc/18/50/84/183185084.db2.gz PHNRAFWGTZKCDV-HNNXBMFYSA-N 0 0 238.290 2.770 50 0 BFAARN O[C@@H]1CCCc2c(Br)cccc21 ZINC000040443055 183197345 /nfs/dbraw/zinc/19/73/45/183197345.db2.gz JEDJGVSGTZKGFJ-SNVBAGLBSA-N 0 0 227.101 2.819 50 0 BFAARN O[C@@H](c1ccccc1)C(F)(F)Br ZINC000072265774 183185437 /nfs/dbraw/zinc/18/54/37/183185437.db2.gz NIHSGGJHKRBRNH-ZETCQYMHSA-N 0 0 237.043 2.708 50 0 BFAARN O[C@@H]1CCCOc2cc(Br)ccc21 ZINC000037180246 183193308 /nfs/dbraw/zinc/19/33/08/183193308.db2.gz AKQLFBDVHAOWOY-SECBINFHSA-N 0 0 243.100 2.655 50 0 BFAARN O[C@H](Cn1cnc2ccccc21)c1ccccc1 ZINC000005939175 183228162 /nfs/dbraw/zinc/22/81/62/183228162.db2.gz PHNRAFWGTZKCDV-OAHLLOKOSA-N 0 0 238.290 2.770 50 0 BFAARN O[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000001394756 183228629 /nfs/dbraw/zinc/22/86/29/183228629.db2.gz OJLPWVOWEHJINA-SECBINFHSA-N 0 0 215.174 2.764 50 0 BFAARN O[C@H](c1ccncc1)c1cccc(Cl)c1F ZINC000064555238 183230624 /nfs/dbraw/zinc/23/06/24/183230624.db2.gz JMZQHTSGDDWRDH-GFCCVEGCSA-N 0 0 237.661 2.956 50 0 BFAARN O[C@H]1c2ccsc2CCc2ccccc21 ZINC000000174178 183215357 /nfs/dbraw/zinc/21/53/57/183215357.db2.gz XOLDLQLMMZSXAR-CYBMUJFWSA-N 0 0 216.305 2.928 50 0 BFAARN O[C@H]1O[C@@H](c2ccccc2)c2ccccc21 ZINC000071773901 183248939 /nfs/dbraw/zinc/24/89/39/183248939.db2.gz XAXUZULEMMAVME-KBPBESRZSA-N 0 0 212.248 2.797 50 0 BFAARN Oc1ccc(-c2ccccc2)cc1-n1cnnc1 ZINC000065395627 183264400 /nfs/dbraw/zinc/26/44/00/183264400.db2.gz YJLYHMUXCUQMCY-UHFFFAOYSA-N 0 0 237.262 2.640 50 0 BFAARN Oc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000038453 183266368 /nfs/dbraw/zinc/26/63/68/183266368.db2.gz REOGMBVECOGANJ-UHFFFAOYSA-N 0 0 210.236 2.936 50 0 BFAARN Oc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000000309650 183278708 /nfs/dbraw/zinc/27/87/08/183278708.db2.gz KRFPGLOJAGPDAA-UHFFFAOYSA-N 0 0 210.236 2.936 50 0 BFAARN CCCN(CCC)C(=O)c1c(C)noc1C ZINC000058406398 169144870 /nfs/dbraw/zinc/14/48/70/169144870.db2.gz HOPOYUFONMJPIG-UHFFFAOYSA-N 0 0 224.304 2.554 50 0 BFAARN CCCN(CCC)C(=O)c1ccccc1 ZINC000000029524 169146353 /nfs/dbraw/zinc/14/63/53/169146353.db2.gz XDIWDRFZCSZPTO-UHFFFAOYSA-N 0 0 205.301 2.949 50 0 BFAARN Oc1cc2cc[nH]c2cc1Br ZINC000013379625 183262403 /nfs/dbraw/zinc/26/24/03/183262403.db2.gz URERMTGVHAWORS-UHFFFAOYSA-N 0 0 212.046 2.636 50 0 BFAARN Oc1ccc2ncccc2c1Br ZINC000001020147 183286144 /nfs/dbraw/zinc/28/61/44/183286144.db2.gz HQEFDTSINGDBKQ-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Oc1ccc2nc(N3CCCCC3)sc2c1 ZINC000096025079 183286859 /nfs/dbraw/zinc/28/68/59/183286859.db2.gz VSKVBDBBUYGNJF-UHFFFAOYSA-N 0 0 234.324 2.992 50 0 BFAARN Oc1cccc(-c2nccc(Cl)n2)c1 ZINC000036882209 183288089 /nfs/dbraw/zinc/28/80/89/183288089.db2.gz GVTMJBXTLFDTDB-UHFFFAOYSA-N 0 0 206.632 2.503 50 0 BFAARN Oc1cccc(-c2nc(-c3ccncc3)no2)c1 ZINC000040542122 183288390 /nfs/dbraw/zinc/28/83/90/183288390.db2.gz ZFZZKGWHAGQVTD-UHFFFAOYSA-N 0 0 239.234 2.504 50 0 BFAARN Oc1cccc(Cl)c1OC(F)(F)F ZINC000118006207 183292900 /nfs/dbraw/zinc/29/29/00/183292900.db2.gz QPHCXZCOHMJKFP-UHFFFAOYSA-N 0 0 212.554 2.944 50 0 BFAARN Oc1cccc(OC(F)(F)C(F)F)c1 ZINC000002526253 183293336 /nfs/dbraw/zinc/29/33/36/183293336.db2.gz DEXGNBYVIMYKJB-UHFFFAOYSA-N 0 0 210.126 2.629 50 0 BFAARN Oc1ccccc1-c1cc(C(F)(F)F)[nH]n1 ZINC000013130399 183298625 /nfs/dbraw/zinc/29/86/25/183298625.db2.gz OTVRWKSAXMIQRR-UHFFFAOYSA-N 0 0 228.173 2.801 50 0 BFAARN Oc1ccccc1C(=S)N1CCCCCC1 ZINC000013125451 183301953 /nfs/dbraw/zinc/30/19/53/183301953.db2.gz GMMHAHQRANMSCS-UHFFFAOYSA-N 0 0 235.352 2.944 50 0 BFAARN Oc1ccccc1Cc1ccccc1O ZINC000000155160 183303964 /nfs/dbraw/zinc/30/39/64/183303964.db2.gz MQCPOLNSJCWPGT-UHFFFAOYSA-N 0 0 200.237 2.689 50 0 in-vitro BFAARN Oc1cnc(F)c(OCc2ccccc2)c1 ZINC000095616393 183305001 /nfs/dbraw/zinc/30/50/01/183305001.db2.gz KAWIVZRSQXUXJF-UHFFFAOYSA-N 0 0 219.215 2.505 50 0 BFAARN Oc1cnc(Br)c2ccccc12 ZINC000075272292 183305045 /nfs/dbraw/zinc/30/50/45/183305045.db2.gz LCWUTWCJYIMOMA-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Oc1cnc2cc(Br)ccc2c1 ZINC000084122445 183305097 /nfs/dbraw/zinc/30/50/97/183305097.db2.gz QSSKHPOBNVWRPS-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN CCCN1c2ccccc2N[C@@H](C)CC1=O ZINC000015671183 169184298 /nfs/dbraw/zinc/18/42/98/169184298.db2.gz ULOICMJROFVXJR-JTQLQIEISA-N 0 0 218.300 2.634 50 0 BFAARN [O-][n+]1cnc2ccccc2c1-c1ccccc1 ZINC000000391434 183318882 /nfs/dbraw/zinc/31/88/82/183318882.db2.gz ZCSCWVLTBTZMSU-UHFFFAOYSA-N 0 0 222.247 2.535 50 0 BFAARN c1cc2cccc(-c3ccc4n[nH]cc4c3)n2n1 ZINC000072138886 183328807 /nfs/dbraw/zinc/32/88/07/183328807.db2.gz ULQOUIPWYJONHN-UHFFFAOYSA-N 0 0 234.262 2.878 50 0 BFAARN c1cc(-c2nnc(-c3ccncc3)o2)cs1 ZINC000020729715 183331544 /nfs/dbraw/zinc/33/15/44/183331544.db2.gz XUCKNCDIIAOAAD-UHFFFAOYSA-N 0 0 229.264 2.860 50 0 BFAARN O=c1[nH]c(C(F)F)nc2ccc(Cl)cc12 ZINC000242750483 183308249 /nfs/dbraw/zinc/30/82/49/183308249.db2.gz ZOJNZBCZKVYAFX-UHFFFAOYSA-N 0 0 230.601 2.926 50 0 BFAARN S=C(Nc1cccc2cccnc21)NC1CC1 ZINC000016241643 183311037 /nfs/dbraw/zinc/31/10/37/183311037.db2.gz WHRNIFOOUHKQFH-UHFFFAOYSA-N 0 0 243.335 2.684 50 0 BFAARN S=C(Nc1ccccc1)Nc1ccccn1 ZINC000005421563 183311708 /nfs/dbraw/zinc/31/17/08/183311708.db2.gz JFHXWMRFXORESD-UHFFFAOYSA-N 0 0 229.308 2.891 50 0 BFAARN S=C(NCCc1ccccc1)NC1CCCC1 ZINC000000306776 183311784 /nfs/dbraw/zinc/31/17/84/183311784.db2.gz BEEHGPDFEPEFQC-UHFFFAOYSA-N 0 0 248.395 2.636 50 0 BFAARN S=C1N=C2CCCC2[C@H](c2ccccc2)N1 ZINC000005604362 183312910 /nfs/dbraw/zinc/31/29/10/183312910.db2.gz ZXIJWZFGSVHPCH-LBPRGKRZSA-N 0 0 230.336 2.643 50 0 BFAARN CCCNC(=O)Cc1ccc2c(c1)CCCC2 ZINC000040161964 169233809 /nfs/dbraw/zinc/23/38/09/169233809.db2.gz QNFDSDGJZZEBIE-UHFFFAOYSA-N 0 0 231.339 2.634 50 0 BFAARN CCCNC(=O)Cc1cccc2ccccc21 ZINC000006946202 169233814 /nfs/dbraw/zinc/23/38/14/169233814.db2.gz LHOBWTZHVVMJDN-UHFFFAOYSA-N 0 0 227.307 2.909 50 0 BFAARN c1cc2[nH]c(-c3n[nH]c(C4CC4)n3)cc2s1 ZINC000067935057 183363734 /nfs/dbraw/zinc/36/37/34/183363734.db2.gz SJACTGPJNZGOFD-UHFFFAOYSA-N 0 0 230.296 2.892 50 0 BFAARN c1cnn(Cc2cc(-c3ccccc3)no2)c1 ZINC000098013742 183379573 /nfs/dbraw/zinc/37/95/73/183379573.db2.gz FBZYSWNKAIVRAW-UHFFFAOYSA-N 0 0 225.251 2.586 50 0 BFAARN c1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000015042140 183380809 /nfs/dbraw/zinc/38/08/09/183380809.db2.gz HLAYLOOJBAJIRU-UHFFFAOYSA-N 0 0 222.251 2.534 50 0 in-vitro BFAARN CCCNC(=O)[C@H](C)SCc1ccccc1 ZINC000002179194 169247053 /nfs/dbraw/zinc/24/70/53/169247053.db2.gz QHFSCROFXVILHT-NSHDSACASA-N 0 0 237.368 2.835 50 0 BFAARN c1nc(-c2ccccc2OC2CCCC2)n[nH]1 ZINC000095939546 183383140 /nfs/dbraw/zinc/38/31/40/183383140.db2.gz ICGYNCWUDMRXMG-UHFFFAOYSA-N 0 0 229.283 2.793 50 0 BFAARN c1cc(-c2nnc(-c3ccccn3)o2)cs1 ZINC000020738087 183383426 /nfs/dbraw/zinc/38/34/26/183383426.db2.gz INBYADLPKQFKFQ-UHFFFAOYSA-N 0 0 229.264 2.860 50 0 BFAARN c1nnc2c3ccccc3c(-c3ccccc3)nn12 ZINC000000125805 183383841 /nfs/dbraw/zinc/38/38/41/183383841.db2.gz PXRWSPIIXAXJKZ-UHFFFAOYSA-N 0 0 246.273 2.945 50 0 BFAARN c1ccc(-c2noc(-c3cccnc3)n2)cc1 ZINC000000860110 183384798 /nfs/dbraw/zinc/38/47/98/183384798.db2.gz OSNJZOBBJYPFQR-UHFFFAOYSA-N 0 0 223.235 2.799 50 0 BFAARN c1coc(CCc2nc(-c3ccccn3)no2)c1 ZINC000078773806 183384803 /nfs/dbraw/zinc/38/48/03/183384803.db2.gz FKYWYAVNOIASNZ-UHFFFAOYSA-N 0 0 241.250 2.510 50 0 BFAARN c1ccc(-c2nnc3n2CCCCS3)cc1 ZINC000010312536 183384915 /nfs/dbraw/zinc/38/49/15/183384915.db2.gz UGLZULDSDHPKNH-UHFFFAOYSA-N 0 0 231.324 2.831 50 0 BFAARN CCCNC(=O)c1cc(C)nc2ccc(F)cc21 ZINC000007262280 169250746 /nfs/dbraw/zinc/25/07/46/169250746.db2.gz MOQSGQXLFZJBGX-UHFFFAOYSA-N 0 0 246.285 2.822 50 0 BFAARN c1ccc(CCO[C@H]2CCCCO2)cc1 ZINC000006096214 183395191 /nfs/dbraw/zinc/39/51/91/183395191.db2.gz YTSCAWRTSJUGJL-ZDUSSCGKSA-N 0 0 206.285 2.772 50 0 BFAARN c1nc2c(ncnc2SCc2ccccc2)[nH]1 ZINC000004032449 183409883 /nfs/dbraw/zinc/40/98/83/183409883.db2.gz ULIQGBPQLPCTAJ-UHFFFAOYSA-N 0 0 242.307 2.645 50 0 biogenic,in-vivo BFAARN CCCOC(=O)c1ccc([O-])c(Cl)c1 ZINC000035101686 169300597 /nfs/dbraw/zinc/30/05/97/169300597.db2.gz BSIHCYCJEOIHQZ-UHFFFAOYSA-N 0 0 214.648 2.612 50 0 BFAARN CCCOC(=O)c1ccc(NC(=O)CCC)cc1 ZINC000002120992 169300710 /nfs/dbraw/zinc/30/07/10/169300710.db2.gz WEYWGGNRTLTEHX-UHFFFAOYSA-N 0 0 249.310 2.992 50 0 BFAARN CCCSc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000005154808 169341296 /nfs/dbraw/zinc/34/12/96/169341296.db2.gz VFIKLZYYOIERQP-UHFFFAOYSA-N 0 0 246.335 2.939 50 0 BFAARN CCCOc1ccc2ccc(=O)oc2c1 ZINC000001893420 169323328 /nfs/dbraw/zinc/32/33/28/169323328.db2.gz FCCCOTWGEKNZMI-UHFFFAOYSA-N 0 0 204.225 2.582 50 0 biogenic,in-vivo BFAARN c1ccc2c(c1)NC1(CCOCC1)S2 ZINC000043827743 183451335 /nfs/dbraw/zinc/45/13/35/183451335.db2.gz BZAXEPUVRHNBAO-UHFFFAOYSA-N 0 0 207.298 2.711 50 0 BFAARN CCC[C@@H](C)NC(=O)c1cccc(OC)c1 ZINC000000477591 169369115 /nfs/dbraw/zinc/36/91/15/169369115.db2.gz MWBPCZNMXWVNPV-SNVBAGLBSA-N 0 0 221.300 2.614 50 0 BFAARN CCC[C@@H](C(=O)N[C@@H](C)COC)c1ccccc1 ZINC000065621869 169345107 /nfs/dbraw/zinc/34/51/07/169345107.db2.gz PEXNPUNIMLLHFL-GXTWGEPZSA-N 0 0 249.354 2.721 50 0 BFAARN CCC[C@@H](C)C(=O)Nc1nnc(C2CC2)s1 ZINC000060388479 169354206 /nfs/dbraw/zinc/35/42/06/169354206.db2.gz ZYHTXFIEEHEKAI-SSDOTTSWSA-N 0 0 239.344 2.790 50 0 BFAARN CCC[C@@H](C)C[NH2+][C@H](CC(C)C)C(=O)[O-] ZINC000043432825 169360982 /nfs/dbraw/zinc/36/09/82/169360982.db2.gz YWROCUZPDHDFNE-GHMZBOCLSA-N 0 0 215.337 2.512 50 0 BFAARN CCC[C@@H](NC(C)=O)c1ccc(F)cc1F ZINC000089949713 169398190 /nfs/dbraw/zinc/39/81/90/169398190.db2.gz PVDCJQCARBFRQJ-GFCCVEGCSA-N 0 0 227.254 2.942 50 0 BFAARN c1coc(CCC2=NCCn3cccc32)c1 ZINC000000035386 183505810 /nfs/dbraw/zinc/50/58/10/183505810.db2.gz XXDFZYFLUGYVHC-UHFFFAOYSA-N 0 0 214.268 2.517 50 0 BFAARN CCC[C@@H](O)c1cc(OC)ccc1OC ZINC000000481522 169412801 /nfs/dbraw/zinc/41/28/01/169412801.db2.gz MKRNUXCCGJVHPA-LLVKDONJSA-N 0 0 210.273 2.537 50 0 BFAARN CCCc1c(N)cnn1-c1cccc(C)c1 ZINC000085634358 169560972 /nfs/dbraw/zinc/56/09/72/169560972.db2.gz NEQJIPCUHDGXFC-UHFFFAOYSA-N 0 0 215.300 2.715 50 0 BFAARN CCCc1cc(C(=O)Nc2ccccc2)n[nH]1 ZINC000029507168 169565263 /nfs/dbraw/zinc/56/52/63/169565263.db2.gz JRXHTHCYBLLJCO-UHFFFAOYSA-N 0 0 229.283 2.615 50 0 BFAARN CCCc1cc(=O)n(-c2ccc(F)cc2)[nH]1 ZINC000100429032 169567557 /nfs/dbraw/zinc/56/75/57/169567557.db2.gz HFIIXKCSPUZGFN-UHFFFAOYSA-N 0 0 220.247 2.670 50 0 BFAARN CCCc1ccc(-c2nccn2CCOC)o1 ZINC000067673518 169568513 /nfs/dbraw/zinc/56/85/13/169568513.db2.gz SMFRXBUKDATSIG-UHFFFAOYSA-N 0 0 234.299 2.742 50 0 BFAARN CCCC1N=NC(=S)N1c1ccccc1OC ZINC000006391603 169599373 /nfs/dbraw/zinc/59/93/73/169599373.db2.gz VMAYBIRMYLQWPK-UHFFFAOYSA-N 0 0 249.339 2.517 50 0 BFAARN CCN(C(=O)CCCOC)c1ccccc1C ZINC000097366916 169633281 /nfs/dbraw/zinc/63/32/81/169633281.db2.gz JLINLCSKEYJIMW-UHFFFAOYSA-N 0 0 235.327 2.775 50 0 BFAARN O=Cc1nc(-c2ccccc2F)n2ccccc12 ZINC000000082213 383823438 /nfs/dbraw/zinc/82/34/38/383823438.db2.gz HQSAAEPJVTYBBO-UHFFFAOYSA-N 0 0 240.237 2.953 50 0 BFAARN Cc1ccc(C)c(NC2=NCCS2)c1 ZINC000000098516 383826372 /nfs/dbraw/zinc/82/63/72/383826372.db2.gz QPVRSAMBGOVYJE-UHFFFAOYSA-N 0 0 206.314 2.818 50 0 BFAARN COC(=O)c1cc(Cl)sc1Cl ZINC000000156638 383836229 /nfs/dbraw/zinc/83/62/29/383836229.db2.gz VCXPHMKCDRPIDG-UHFFFAOYSA-N 0 0 211.069 2.842 50 0 BFAARN O=C([O-])CCC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000000171123 383838180 /nfs/dbraw/zinc/83/81/80/383838180.db2.gz OGXJKONEOABCNW-UHFFFAOYSA-N 0 0 245.322 2.641 50 0 BFAARN FC(F)(F)c1ccc(Br)nc1 ZINC000000166552 383838505 /nfs/dbraw/zinc/83/85/05/383838505.db2.gz GSKMWMFOQQBVMI-UHFFFAOYSA-N 0 0 225.995 2.863 50 0 BFAARN CC(C)[C@H]1C[C@@H](c2csc(N)n2)CCO1 ZINC000000191449 383842957 /nfs/dbraw/zinc/84/29/57/383842957.db2.gz JXYPLQDIDJLTJJ-WCBMZHEXSA-N 0 0 226.345 2.644 50 0 BFAARN CC(=O)c1nn(-c2ccccc2)c2c1CCCC2 ZINC000000211339 383844163 /nfs/dbraw/zinc/84/41/63/383844163.db2.gz JBPMWJSTBHXKNP-UHFFFAOYSA-N 0 0 240.306 2.954 50 0 BFAARN COC(OC)c1cc(Cl)cnc1Cl ZINC000066054374 383845397 /nfs/dbraw/zinc/84/53/97/383845397.db2.gz JWEKIYARKOGXPR-UHFFFAOYSA-N 0 0 222.071 2.680 50 0 BFAARN Cc1ccc(C(=O)NCc2ccco2)cc1C ZINC000000265823 383848367 /nfs/dbraw/zinc/84/83/67/383848367.db2.gz MHXQBTZYFRJIGC-UHFFFAOYSA-N 0 0 229.279 2.826 50 0 BFAARN O=C(/C=C/c1ccco1)N1CCc2ccccc21 ZINC000000272672 383851972 /nfs/dbraw/zinc/85/19/72/383851972.db2.gz XFJDULHCELCQOW-BQYQJAHWSA-N 0 0 239.274 2.882 50 0 BFAARN O=Cc1ccc(-c2cn3ccsc3n2)cc1 ZINC000000337593 383857176 /nfs/dbraw/zinc/85/71/76/383857176.db2.gz CREFTZDQROCPJJ-UHFFFAOYSA-N 0 0 228.276 2.875 50 0 BFAARN Cn1c(Cl)nc2ccc(Cl)cc21 ZINC000066346854 383858775 /nfs/dbraw/zinc/85/87/75/383858775.db2.gz UGDFPXYCSUHXBG-UHFFFAOYSA-N 0 0 201.056 2.880 50 0 BFAARN Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)o1 ZINC000000371743 383858806 /nfs/dbraw/zinc/85/88/06/383858806.db2.gz XFEPFYBCGILMAN-UHFFFAOYSA-N 0 0 245.234 2.569 50 0 BFAARN CS(=O)(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000000387469 383860892 /nfs/dbraw/zinc/86/08/92/383860892.db2.gz ZSBGJIPLRFDOJE-UHFFFAOYSA-N 0 0 247.319 2.725 50 0 BFAARN Cc1ccc(C(=O)[C@@H](O)c2ccccc2)cc1 ZINC000000393162 383860971 /nfs/dbraw/zinc/86/09/71/383860971.db2.gz ZXFSXZYDGCZLBE-AWEZNQCLSA-N 0 0 226.275 2.911 50 0 BFAARN O=S(=O)(Cc1ccccc1)Cc1ccccc1 ZINC000000389634 383862476 /nfs/dbraw/zinc/86/24/76/383862476.db2.gz AWHNUHMUCGRKRA-UHFFFAOYSA-N 0 0 246.331 2.802 50 0 BFAARN Clc1n[nH]c(-c2ccccc2Cl)n1 ZINC000066442595 383864289 /nfs/dbraw/zinc/86/42/89/383864289.db2.gz SQOOCXKEAOZMFU-UHFFFAOYSA-N 0 0 214.055 2.779 50 0 BFAARN CO[C@H]1CC/C=C/CC/C=C/CC[C@H]1O ZINC000000409823 383866751 /nfs/dbraw/zinc/86/67/51/383866751.db2.gz NZJRBFVCZFRVNJ-BOPCSFOUSA-N 0 0 210.317 2.829 50 0 BFAARN O=Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000000446146 383868998 /nfs/dbraw/zinc/86/89/98/383868998.db2.gz RPXJROJLJRFFOF-UHFFFAOYSA-N 0 0 249.273 2.747 50 0 BFAARN CCC[C@H](C)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000000457015 383869201 /nfs/dbraw/zinc/86/92/01/383869201.db2.gz FVMBDJKRBLOGKH-JTQLQIEISA-N 0 0 249.310 2.848 50 0 BFAARN Cc1ccc(C(=O)Nc2ccncc2)c(C)c1 ZINC000000514674 383875158 /nfs/dbraw/zinc/87/51/58/383875158.db2.gz YLECUAVPUDPKQM-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN C(NC1CC1)c1nc(C2CCCCCC2)no1 ZINC000087945311 383875304 /nfs/dbraw/zinc/87/53/04/383875304.db2.gz PLBKXOSUYNGUNA-UHFFFAOYSA-N 0 0 235.331 2.759 50 0 BFAARN Cc1cc(C)cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000000614069 383877780 /nfs/dbraw/zinc/87/77/80/383877780.db2.gz FLSVENHLGXMUBV-CHWSQXEVSA-N 0 0 247.338 2.553 50 0 BFAARN COC(=O)c1cc(Cl)ccc1Cl ZINC000000119681 383831314 /nfs/dbraw/zinc/83/13/14/383831314.db2.gz SPJQBGGHUDNAIC-UHFFFAOYSA-N 0 0 205.040 2.780 50 0 in-vitro BFAARN O=C(C1CCCC1)N1CCc2ccccc21 ZINC000000140057 383832768 /nfs/dbraw/zinc/83/27/68/383832768.db2.gz XPJLVLSISNLKBS-UHFFFAOYSA-N 0 0 215.296 2.766 50 0 BFAARN O=C(OC1CC(F)(F)C1)c1ccccc1 ZINC000067173999 383914616 /nfs/dbraw/zinc/91/46/16/383914616.db2.gz MHWHRWBARKVNBB-UHFFFAOYSA-N 0 0 212.195 2.641 50 0 BFAARN O=C1c2ccccc2CN1c1ccc(O)cc1 ZINC000001639172 383915345 /nfs/dbraw/zinc/91/53/45/383915345.db2.gz NDERTONLGOTDER-UHFFFAOYSA-N 0 0 225.247 2.553 50 0 BFAARN CCOP(=O)(OCC)c1ccccc1 ZINC000001687161 383923418 /nfs/dbraw/zinc/92/34/18/383923418.db2.gz VZEGPPPCKHRYGO-UHFFFAOYSA-N 0 0 214.201 2.578 50 0 BFAARN CC(C)(C)OC(=O)c1n[nH]c2ccccc21 ZINC000089065590 383931468 /nfs/dbraw/zinc/93/14/68/383931468.db2.gz PZCUZCXHRSTAGA-UHFFFAOYSA-N 0 0 218.256 2.518 50 0 BFAARN CNc1nc(-c2ccc(OC)cc2)cs1 ZINC000000882200 383882986 /nfs/dbraw/zinc/88/29/86/383882986.db2.gz MFCDHYYQUAUROS-UHFFFAOYSA-N 0 0 220.297 2.860 50 0 BFAARN O=CNC1c2ccccc2CCc2ccccc21 ZINC000001736675 383933533 /nfs/dbraw/zinc/93/35/33/383933533.db2.gz UWZWVIXWBAYFRW-UHFFFAOYSA-N 0 0 237.302 2.621 50 0 BFAARN O=Cc1cccc2c1cnn2[C@H]1CCCCO1 ZINC000088267302 383891673 /nfs/dbraw/zinc/89/16/73/383891673.db2.gz WHYXQPGHZDUOAZ-CYBMUJFWSA-N 0 0 230.267 2.548 50 0 BFAARN CN(Cc1ccccc1)C(=O)c1ccco1 ZINC000001226027 383891833 /nfs/dbraw/zinc/89/18/33/383891833.db2.gz OWHDSTQQGAWXJM-UHFFFAOYSA-N 0 0 215.252 2.552 50 0 BFAARN Nc1nnc(SCCC(F)=C(F)F)s1 ZINC000001389730 383896139 /nfs/dbraw/zinc/89/61/39/383896139.db2.gz JPARHDLWVVBFCP-UHFFFAOYSA-N 0 0 241.263 2.680 50 0 BFAARN CNc1nc(Cl)c(SC)c(Cl)n1 ZINC000001403289 383896515 /nfs/dbraw/zinc/89/65/15/383896515.db2.gz SRBYFAHJCYQXNV-UHFFFAOYSA-N 0 0 224.116 2.547 50 0 BFAARN CSC1=N/C(=C/c2ccc(C)o2)C(=O)S1 ZINC000000199431 383896701 /nfs/dbraw/zinc/89/67/01/383896701.db2.gz RYYQSYCYNQWETF-VMPITWQZSA-N 0 0 239.321 2.921 50 0 BFAARN c1ncc(COCc2ccccc2)s1 ZINC000001392735 383897185 /nfs/dbraw/zinc/89/71/85/383897185.db2.gz VIBMYLKJXBFIGA-UHFFFAOYSA-N 0 0 205.282 2.860 50 0 BFAARN CC(=O)N(Cc1ccco1)C1CCCC1 ZINC000070251126 383899160 /nfs/dbraw/zinc/89/91/60/383899160.db2.gz HSPUCVCDLXPKMX-UHFFFAOYSA-N 0 0 207.273 2.571 50 0 BFAARN O=CN(Cc1ccccc1)Cc1ccccc1 ZINC000001442966 383899365 /nfs/dbraw/zinc/89/93/65/383899365.db2.gz OTHBCWKTCXJYAW-UHFFFAOYSA-N 0 0 225.291 2.845 50 0 in-vitro BFAARN COC(=O)c1cc2cccc(OC)c2cc1OC ZINC000001431545 383900486 /nfs/dbraw/zinc/90/04/86/383900486.db2.gz FLXZIIPKKOBHKU-UHFFFAOYSA-N 0 0 246.262 2.644 50 0 BFAARN Nc1nn(Cc2ccccc2Cl)cc1Cl ZINC000002578496 383978837 /nfs/dbraw/zinc/97/88/37/383978837.db2.gz ACUOMNKXCGSWCA-UHFFFAOYSA-N 0 0 242.109 2.820 50 0 BFAARN O=Cc1cc2cc(F)ccc2nc1Cl ZINC000002656558 383981458 /nfs/dbraw/zinc/98/14/58/383981458.db2.gz AWXUFNXARKHKDY-UHFFFAOYSA-N 0 0 209.607 2.840 50 0 BFAARN Cc1ccc(C(=O)NCc2ccccc2)o1 ZINC000002742660 383986992 /nfs/dbraw/zinc/98/69/92/383986992.db2.gz MAOGHEKHVXRNKE-UHFFFAOYSA-N 0 0 215.252 2.518 50 0 BFAARN CCCCOC(=O)c1ccc(NC(C)=O)cc1 ZINC000003002618 383995381 /nfs/dbraw/zinc/99/53/81/383995381.db2.gz TYCZFKFSOQONBM-UHFFFAOYSA-N 0 0 235.283 2.602 50 0 BFAARN COC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000000266337 383995716 /nfs/dbraw/zinc/99/57/16/383995716.db2.gz RAZJWIZQRWIYSJ-UHFFFAOYSA-N 0 0 237.642 2.782 50 0 BFAARN CC(C)COc1ccc(C2(C(N)=O)CCC2)cc1 ZINC000071890149 383947500 /nfs/dbraw/zinc/94/75/00/383947500.db2.gz QYINOUUNHGHNRL-UHFFFAOYSA-N 0 0 247.338 2.628 50 0 BFAARN O=Cc1cc(F)c(Br)c(F)c1 ZINC000067802607 383950721 /nfs/dbraw/zinc/95/07/21/383950721.db2.gz OJWOCKKFJDJGFP-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN O=C1c2ccccc2CCc2cc(O)ccc21 ZINC000002244331 383956440 /nfs/dbraw/zinc/95/64/40/383956440.db2.gz MSGQRAAQALHWFA-UHFFFAOYSA-N 0 0 224.259 2.722 50 0 BFAARN O=Cc1c(F)cc(Br)cc1F ZINC000002243320 383956774 /nfs/dbraw/zinc/95/67/74/383956774.db2.gz CZGVAISJIQNQEJ-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN Cc1cc(C(=O)Nc2cc(C)ccc2C)no1 ZINC000003334319 383957358 /nfs/dbraw/zinc/95/73/58/383957358.db2.gz WIRYCKHVRWAAPY-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN Cc1cc(F)ccc1C(=O)C(F)(F)F ZINC000002378584 383959531 /nfs/dbraw/zinc/95/95/31/383959531.db2.gz MGSWWZBSVVEQTP-UHFFFAOYSA-N 0 0 206.138 2.879 50 0 BFAARN CCCC(=O)CCCCCC(=O)OCC ZINC000002379066 383960125 /nfs/dbraw/zinc/96/01/25/383960125.db2.gz KVJDBWMBTHGWQT-UHFFFAOYSA-N 0 0 214.305 2.869 50 0 BFAARN Nc1cnn(Cc2cccc3ccccc32)c1 ZINC000002505970 383966652 /nfs/dbraw/zinc/96/66/52/383966652.db2.gz WWWNMQLKBLTLSP-UHFFFAOYSA-N 0 0 223.279 2.667 50 0 BFAARN COc1cc(C)c(N)cc1C(F)(F)F ZINC000113190132 383970628 /nfs/dbraw/zinc/97/06/28/383970628.db2.gz FRUAEMKBWUYWTP-UHFFFAOYSA-N 0 0 205.179 2.605 50 0 BFAARN COc1nccc(Br)c1Cl ZINC000113278446 383974567 /nfs/dbraw/zinc/97/45/67/383974567.db2.gz BMCPCFIBEWFBIA-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN O=Cc1ccc(-c2ccc(Cl)nn2)cc1 ZINC000002563760 383975557 /nfs/dbraw/zinc/97/55/57/383975557.db2.gz ONXNMPPQTHFGTJ-UHFFFAOYSA-N 0 0 218.643 2.610 50 0 BFAARN CC[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000089960842 384016593 /nfs/dbraw/zinc/01/65/93/384016593.db2.gz UTPAMPCZUPJVAO-JTQLQIEISA-N 0 0 210.346 2.781 50 0 BFAARN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O ZINC000090423999 384048866 /nfs/dbraw/zinc/04/88/66/384048866.db2.gz NKFIUBSEBGYGEF-JTQLQIEISA-N 0 0 241.331 2.613 50 0 BFAARN O=Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000004243005 384049519 /nfs/dbraw/zinc/04/95/19/384049519.db2.gz AZCKCFMHUXPYNT-UHFFFAOYSA-N 0 0 206.632 2.543 50 0 BFAARN COC(=O)c1cc2c(cc(F)cc2Cl)[nH]1 ZINC000004237921 384050385 /nfs/dbraw/zinc/05/03/85/384050385.db2.gz NJDNZFVARLQIDQ-UHFFFAOYSA-N 0 0 227.622 2.747 50 0 BFAARN COC(=O)c1c(N)sc2c1CCCCCC2 ZINC000004240338 384050409 /nfs/dbraw/zinc/05/04/09/384050409.db2.gz KMQMOTGFHOYIBQ-UHFFFAOYSA-N 0 0 239.340 2.776 50 0 BFAARN Nc1cc(F)cc(Oc2cccnc2)c1 ZINC000075629604 384051044 /nfs/dbraw/zinc/05/10/44/384051044.db2.gz GFKOHCLQLOWUQK-UHFFFAOYSA-N 0 0 204.204 2.595 50 0 BFAARN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccco1 ZINC000071894486 384033389 /nfs/dbraw/zinc/03/33/89/384033389.db2.gz WMIVYMCADBSEON-YGRLFVJLSA-N 0 0 241.290 2.943 50 0 BFAARN CC[C@H](CC[C@H](C)O)C[C@@H]1CCCO1 ZINC000004087623 384039326 /nfs/dbraw/zinc/03/93/26/384039326.db2.gz WRDHXNUNGYABFV-TUAOUCFPSA-N 0 0 200.322 2.743 50 0 BFAARN Cc1ccc(C)c(OCCCC(C)(C)C(N)=O)c1 ZINC000038458132 384083539 /nfs/dbraw/zinc/08/35/39/384083539.db2.gz YJMCJQKGIPBLRJ-UHFFFAOYSA-N 0 0 249.354 2.974 50 0 BFAARN c1cn(CCCOc2ccc3c(c2)CCC3)cn1 ZINC000004810559 384083828 /nfs/dbraw/zinc/08/38/28/384083828.db2.gz UEBAUGXRLBXJJE-UHFFFAOYSA-N 0 0 242.322 2.841 50 0 BFAARN CC[C@@H](C)n1cc(Br)cn1 ZINC000038074776 384064754 /nfs/dbraw/zinc/06/47/54/384064754.db2.gz QBGURVIJWFJGNZ-ZCFIWIBFSA-N 0 0 203.083 2.617 50 0 BFAARN Fc1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC000069835897 384066002 /nfs/dbraw/zinc/06/60/02/384066002.db2.gz JHZZRTBFHQVORO-UHFFFAOYSA-N 0 0 213.215 2.764 50 0 BFAARN O=C(/C=C/c1ccccc1Cl)n1cccn1 ZINC000004614074 384072326 /nfs/dbraw/zinc/07/23/26/384072326.db2.gz MTIBBBMXPDAIDL-VOTSOKGWSA-N 0 0 232.670 2.890 50 0 BFAARN CC(C)CCNC(=O)Cn1ccc2ccccc21 ZINC000004676589 384074674 /nfs/dbraw/zinc/07/46/74/384074674.db2.gz XUDKVCALNHGAFR-UHFFFAOYSA-N 0 0 244.338 2.804 50 0 BFAARN O=C(Nc1noc2ncccc12)c1cccs1 ZINC000011694962 384102553 /nfs/dbraw/zinc/10/25/53/384102553.db2.gz BKXKBIHWZHXEPA-UHFFFAOYSA-N 0 0 245.263 2.537 50 0 BFAARN Nc1c(Cl)cccc1OC(F)(F)F ZINC000091252318 384111823 /nfs/dbraw/zinc/11/18/23/384111823.db2.gz NNDFBODLWFJOSA-UHFFFAOYSA-N 0 0 211.570 2.821 50 0 BFAARN CCCCNC(=O)c1cccc(Cl)c1 ZINC000005419826 384115949 /nfs/dbraw/zinc/11/59/49/384115949.db2.gz NKQOQWJDLCYELT-UHFFFAOYSA-N 0 0 211.692 2.870 50 0 BFAARN c1ccc2c(c1)C[C@@H](Cc1cccnc1)CO2 ZINC000091665251 384136099 /nfs/dbraw/zinc/13/60/99/384136099.db2.gz ZRWVAZYZCWBLGA-CYBMUJFWSA-N 0 0 225.291 2.875 50 0 BFAARN COC(=O)c1c(Cl)cc(Cl)nc1Cl ZINC000091351928 384120979 /nfs/dbraw/zinc/12/09/79/384120979.db2.gz RRAISDXHCRPYTQ-UHFFFAOYSA-N 0 0 240.473 2.828 50 0 BFAARN CCCc1nc(C)c(CNc2ncccn2)s1 ZINC000091468851 384128440 /nfs/dbraw/zinc/12/84/40/384128440.db2.gz NAHDLQAXEUFXQU-UHFFFAOYSA-N 0 0 248.355 2.806 50 0 BFAARN FC(F)(F)Oc1ccc(Br)cn1 ZINC000040448510 384153796 /nfs/dbraw/zinc/15/37/96/384153796.db2.gz SQDAZGGFXASXDW-UHFFFAOYSA-N 0 0 241.994 2.743 50 0 BFAARN c1ccc2c(c1)[nH]c1c2ncnc1N1CCCC1 ZINC000006499218 384155269 /nfs/dbraw/zinc/15/52/69/384155269.db2.gz BQKNVBNXIKOWPY-UHFFFAOYSA-N 0 0 238.294 2.711 50 0 BFAARN CC(C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000005906031 384138211 /nfs/dbraw/zinc/13/82/11/384138211.db2.gz JBKUUYXQAJXVSA-GFCCVEGCSA-N 0 0 219.328 2.780 50 0 BFAARN COC(=O)c1ccccc1-c1cc(C)ns1 ZINC000091695992 384141550 /nfs/dbraw/zinc/14/15/50/384141550.db2.gz XVJIBQRZUOONPX-UHFFFAOYSA-N 0 0 233.292 2.905 50 0 BFAARN O=c1cc(CCOc2ccc(Cl)cc2)cc[nH]1 ZINC000092061669 384162213 /nfs/dbraw/zinc/16/22/13/384162213.db2.gz LCEXLTDPDMGVSX-UHFFFAOYSA-N 0 0 249.697 2.650 50 0 BFAARN CSCCCNC(=O)c1cc(C)cc(F)c1 ZINC000080376709 384165898 /nfs/dbraw/zinc/16/58/98/384165898.db2.gz NCPTXBZBUOBOQB-UHFFFAOYSA-N 0 0 241.331 2.617 50 0 BFAARN CC[C@@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000006741540 384166074 /nfs/dbraw/zinc/16/60/74/384166074.db2.gz FOMQFECURSZKJQ-CQSZACIVSA-N 0 0 240.306 2.963 50 0 BFAARN CCOc1ccc(CO)cc1C(F)(F)F ZINC000071867336 384185112 /nfs/dbraw/zinc/18/51/12/384185112.db2.gz SRVUDCQCZVEMAK-UHFFFAOYSA-N 0 0 220.190 2.596 50 0 BFAARN COC(Cc1ccc(C(F)(F)F)cc1)OC ZINC000071773584 384178245 /nfs/dbraw/zinc/17/82/45/384178245.db2.gz LFPVFWUAVYTJNP-UHFFFAOYSA-N 0 0 234.217 2.867 50 0 BFAARN CC[C@@H](NCC(F)(F)F)c1c(C)nn(C)c1C ZINC000097374413 384178891 /nfs/dbraw/zinc/17/88/91/384178891.db2.gz CFVUZRBKFCJLDE-SECBINFHSA-N 0 0 249.280 2.640 50 0 BFAARN FC1(F)CC(CSc2ncccn2)C1 ZINC000294995548 384190861 /nfs/dbraw/zinc/19/08/61/384190861.db2.gz QVTBZUPNNZRXHS-UHFFFAOYSA-N 0 0 216.256 2.614 50 0 BFAARN Cc1ccn2cc(-c3ccc(N)cc3)nc2c1 ZINC000008160802 384196395 /nfs/dbraw/zinc/19/63/95/384196395.db2.gz ZMLUDLQZWAWHGB-UHFFFAOYSA-N 0 0 223.279 2.892 50 0 BFAARN Cc1n[nH]c2c1C(=O)C[C@@H](c1ccc(C)cc1)C2 ZINC000009185672 384234638 /nfs/dbraw/zinc/23/46/38/384234638.db2.gz KIKNHUUQUMUDEP-LBPRGKRZSA-N 0 0 240.306 2.939 50 0 BFAARN O=C1NCCN1c1ccc(Cl)c(Cl)c1 ZINC000008729975 384210959 /nfs/dbraw/zinc/21/09/59/384210959.db2.gz LNOJOHVKUUWHQW-UHFFFAOYSA-N 0 0 231.082 2.523 50 0 BFAARN COC(=O)c1cc2cccc(F)c2s1 ZINC000008730026 384212395 /nfs/dbraw/zinc/21/23/95/384212395.db2.gz NOARBDNEINIRHZ-UHFFFAOYSA-N 0 0 210.229 2.827 50 0 BFAARN Nc1nnc(-c2ccccc2C(F)(F)F)s1 ZINC000008726985 384212901 /nfs/dbraw/zinc/21/29/01/384212901.db2.gz TWXQRAMCZAUPAN-UHFFFAOYSA-N 0 0 245.229 2.806 50 0 BFAARN FC(F)(F)c1c2c(nnc1Cl)CCC2 ZINC000008855842 384221526 /nfs/dbraw/zinc/22/15/26/384221526.db2.gz WINVJBBGILNSLQ-UHFFFAOYSA-N 0 0 222.597 2.638 50 0 BFAARN Cc1ccc(O[C@@H]2CCOC2)c(Cl)c1 ZINC000336614044 384243617 /nfs/dbraw/zinc/24/36/17/384243617.db2.gz VSEAIHZRSWXGEZ-SECBINFHSA-N 0 0 212.676 2.816 50 0 BFAARN O=C(c1ccc[nH]1)N1CCC[C@@H]1C1CCCC1 ZINC000132680105 384243849 /nfs/dbraw/zinc/24/38/49/384243849.db2.gz LHLBNQDZMBQDEH-CYBMUJFWSA-N 0 0 232.327 2.810 50 0 BFAARN CC1(C)C(C(=O)Nc2cccnc2)C1(C)C ZINC000000174477 384268961 /nfs/dbraw/zinc/26/89/61/384268961.db2.gz XIADTLVFLIESGQ-UHFFFAOYSA-N 0 0 218.300 2.702 50 0 BFAARN Cc1nc(-c2ccccc2)c(CO)s1 ZINC000012370268 384313792 /nfs/dbraw/zinc/31/37/92/384313792.db2.gz RBRYERMYEBFVAB-UHFFFAOYSA-N 0 0 205.282 2.611 50 0 BFAARN CCN(CC)c1cc(Br)ccn1 ZINC000044118413 384314252 /nfs/dbraw/zinc/31/42/52/384314252.db2.gz RPWJQOUHBJCQCA-UHFFFAOYSA-N 0 0 229.121 2.690 50 0 BFAARN CCC[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000000383583 384317318 /nfs/dbraw/zinc/31/73/18/384317318.db2.gz WEVIRYJSABXFDT-NSHDSACASA-N 0 0 205.301 2.913 50 0 BFAARN CN(Cc1ccccc1)C(=O)c1cccc(N)c1 ZINC000012403807 384319498 /nfs/dbraw/zinc/31/94/98/384319498.db2.gz PLNSWOWXHSNRJQ-UHFFFAOYSA-N 0 0 240.306 2.541 50 0 BFAARN CN(C)c1ccc(NC2CCCCC2)nc1 ZINC000097019308 384282907 /nfs/dbraw/zinc/28/29/07/384282907.db2.gz PRBYGXMGEPEPGC-UHFFFAOYSA-N 0 0 219.332 2.892 50 0 BFAARN O=C(/C=C/c1ccco1)NCc1ccccc1F ZINC000002910480 384283848 /nfs/dbraw/zinc/28/38/48/384283848.db2.gz PYINGTSULINEQU-BQYQJAHWSA-N 0 0 245.253 2.748 50 0 BFAARN CCCCCNC(=O)C1=Cc2ccccc2OC1 ZINC000061190922 384336690 /nfs/dbraw/zinc/33/66/90/384336690.db2.gz XFYCSBKMBDZJTL-UHFFFAOYSA-N 0 0 245.322 2.769 50 0 BFAARN C[C@@H](NC(=O)NC1CC1)c1ccc(Cl)cc1 ZINC000012937103 384343272 /nfs/dbraw/zinc/34/32/72/384343272.db2.gz MEBYBYIPRAQKIM-MRVPVSSYSA-N 0 0 238.718 2.863 50 0 BFAARN FC(F)(F)c1ncccc1NN1CCCCC1 ZINC000095081584 384357693 /nfs/dbraw/zinc/35/76/93/384357693.db2.gz FTJBKSWKNJSCMP-UHFFFAOYSA-N 0 0 245.248 2.913 50 0 BFAARN FC(F)(F)c1ccc(NN2CCCCC2)cn1 ZINC000095081590 384358235 /nfs/dbraw/zinc/35/82/35/384358235.db2.gz RIAMHNKUQUBRTF-UHFFFAOYSA-N 0 0 245.248 2.913 50 0 BFAARN Cc1ccc(C(=O)N[C@@H](C)C(C)(C)C)o1 ZINC000001052368 384359483 /nfs/dbraw/zinc/35/94/83/384359483.db2.gz IXMLMBSRKCLDMR-VIFPVBQESA-N 0 0 209.289 2.752 50 0 BFAARN Cc1ccc(CN(C)[C@@H](C)c2ccccn2)nc1 ZINC000097113649 384369968 /nfs/dbraw/zinc/36/99/68/384369968.db2.gz BMBUAKRTBWFPNI-ZDUSSCGKSA-N 0 0 241.338 2.978 50 0 BFAARN CCOCCn1ccc(-c2ccccc2)n1 ZINC000097082517 384323574 /nfs/dbraw/zinc/32/35/74/384323574.db2.gz UDBANFAGKNEBOK-UHFFFAOYSA-N 0 0 216.284 2.587 50 0 BFAARN C[C@@H](NC(=O)c1[nH]ncc1Cl)c1ccccc1 ZINC000012649522 384328045 /nfs/dbraw/zinc/32/80/45/384328045.db2.gz ZGLSUEOBTSRJBL-MRVPVSSYSA-N 0 0 249.701 2.554 50 0 BFAARN Cc1ccc([C@H](O)CNc2cccc(C)n2)cc1 ZINC000097096658 384334147 /nfs/dbraw/zinc/33/41/47/384334147.db2.gz UEQYLHLOVYHIHN-CQSZACIVSA-N 0 0 242.322 2.844 50 0 BFAARN CCOCCOc1ccc(N)c(C(F)(F)F)c1 ZINC000014630295 384398362 /nfs/dbraw/zinc/39/83/62/384398362.db2.gz GYFSKNQFIPMWBS-UHFFFAOYSA-N 0 0 249.232 2.703 50 0 BFAARN FC(F)(F)Oc1ccc(-c2cc[nH]n2)cc1 ZINC000014808108 384407025 /nfs/dbraw/zinc/40/70/25/384407025.db2.gz FBNMLMRUGSDQJL-UHFFFAOYSA-N 0 0 228.173 2.975 50 0 BFAARN CNNCc1ccc(Oc2ccccc2)cc1 ZINC000095917791 384407152 /nfs/dbraw/zinc/40/71/52/384407152.db2.gz SZBVDTZOONXMQT-UHFFFAOYSA-N 0 0 228.295 2.703 50 0 BFAARN Cc1nc(-c2ccc(F)cc2)sc1CO ZINC000015014880 384415720 /nfs/dbraw/zinc/41/57/20/384415720.db2.gz JENCFLAMJRGILT-UHFFFAOYSA-N 0 0 223.272 2.750 50 0 BFAARN CC(C)CCOC(=O)Cc1ccccc1 ZINC000000393725 384419992 /nfs/dbraw/zinc/41/99/92/384419992.db2.gz QWBQBUWZZBUFHN-UHFFFAOYSA-N 0 0 206.285 2.818 50 0 endogenous,in-man BFAARN c1ccc(Cn2nnc3c2CCCCCC3)cc1 ZINC000096032199 384421161 /nfs/dbraw/zinc/42/11/61/384421161.db2.gz ASEWZJKKRTXARW-UHFFFAOYSA-N 0 0 241.338 2.985 50 0 BFAARN CC(=O)c1ccc(NC(=S)N2CCCC2)cc1 ZINC000013825761 384376481 /nfs/dbraw/zinc/37/64/81/384376481.db2.gz PNLBZRACFPPOFY-UHFFFAOYSA-N 0 0 248.351 2.682 50 0 BFAARN Fc1c2nc[nH]c2cc(Br)c1F ZINC000095495612 384378272 /nfs/dbraw/zinc/37/82/72/384378272.db2.gz OCZVPWYZFGBSLI-UHFFFAOYSA-N 0 0 233.015 2.604 50 0 BFAARN COC(OC)c1c(F)cccc1Br ZINC000095496021 384379836 /nfs/dbraw/zinc/37/98/36/384379836.db2.gz PKIZATGPJNVPSE-UHFFFAOYSA-N 0 0 249.079 2.880 50 0 BFAARN CC1(C)CC(=O)Nc2ccc(Cl)cc21 ZINC000095496147 384380878 /nfs/dbraw/zinc/38/08/78/384380878.db2.gz RZYWXQQLMVXGQY-UHFFFAOYSA-N 0 0 209.676 2.960 50 0 BFAARN O=C1Nc2ccc(Br)cc2CO1 ZINC000014007930 384381640 /nfs/dbraw/zinc/38/16/40/384381640.db2.gz SSTOTANBGDRSRF-UHFFFAOYSA-N 0 0 228.045 2.511 50 0 BFAARN Cc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)[O-])cc1C ZINC000237784837 384384329 /nfs/dbraw/zinc/38/43/29/384384329.db2.gz NVIFSUVBTMEGCJ-AWEZNQCLSA-N 0 0 247.338 2.915 50 0 BFAARN O=C(CC[C@@H]1CCCO1)OC[C@@H]1CC=CCC1 ZINC000097213161 384445994 /nfs/dbraw/zinc/44/59/94/384445994.db2.gz AWIUNVJQQPDLIL-OLZOCXBDSA-N 0 0 238.327 2.845 50 0 BFAARN CCCCNC(=O)c1ccc(C)cc1C ZINC000047464520 384452923 /nfs/dbraw/zinc/45/29/23/384452923.db2.gz HIDSMNDPXXXHBC-UHFFFAOYSA-N 0 0 205.301 2.833 50 0 BFAARN CC1(C)CC(C=Cc2ccccc2)=NC(=S)N1 ZINC000000051007 384453639 /nfs/dbraw/zinc/45/36/39/384453639.db2.gz XSCGDNGCQKSMCC-CMDGGOBGSA-N 0 0 244.363 2.840 50 0 BFAARN C[C@H](NC(=O)[C@@H]1CC1(C)C)c1ccccc1 ZINC000000050112 384454839 /nfs/dbraw/zinc/45/48/39/384454839.db2.gz WXZNHQPOEMNFDV-JQWIXIFHSA-N 0 0 217.312 2.910 50 0 BFAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CCC1 ZINC000096163630 384440781 /nfs/dbraw/zinc/44/07/81/384440781.db2.gz ZMTRORWFFUDHEY-UHFFFAOYSA-N 0 0 248.713 2.976 50 0 BFAARN Cc1ccc(F)cc1-c1nc([C@H]2CCOC2)no1 ZINC000096162901 384441064 /nfs/dbraw/zinc/44/10/64/384441064.db2.gz DFTXUCHVSFJRKF-VIFPVBQESA-N 0 0 248.257 2.688 50 0 BFAARN O=C1c2sccc2N[C@H]2CCCCCN12 ZINC000096511632 384461549 /nfs/dbraw/zinc/46/15/49/384461549.db2.gz FIGNDJOQOKNIOG-SECBINFHSA-N 0 0 222.313 2.516 50 0 BFAARN Cc1cc(C)cc(C(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000016604693 384462450 /nfs/dbraw/zinc/46/24/50/384462450.db2.gz MFDLETVRXNHKDX-GXTWGEPZSA-N 0 0 247.338 2.601 50 0 BFAARN COC(=O)c1cc(Cl)c2c(c1)C=CCO2 ZINC000047844963 384468252 /nfs/dbraw/zinc/46/82/52/384468252.db2.gz OYVDYEPXOJUVMX-UHFFFAOYSA-N 0 0 224.643 2.532 50 0 BFAARN Clc1c2nc[nH]c2ccc1Br ZINC000079047798 384483475 /nfs/dbraw/zinc/48/34/75/384483475.db2.gz MJXDWVUPIRXRDE-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN CC(=O)c1cc(CN2CCCC2)cs1 ZINC000019088895 384509763 /nfs/dbraw/zinc/50/97/63/384509763.db2.gz GVRGMBBQSPKGIG-UHFFFAOYSA-N 0 0 209.314 2.547 50 0 BFAARN Cc1cc(C)c2c(n1)CC(C)(C)CC2=O ZINC000002144041 384512188 /nfs/dbraw/zinc/51/21/88/384512188.db2.gz PFTBQGGNRWHZTC-UHFFFAOYSA-N 0 0 203.285 2.854 50 0 BFAARN Cc1cc(C)c(NC(=O)c2cnccn2)c(C)c1 ZINC000000410822 384515862 /nfs/dbraw/zinc/51/58/62/384515862.db2.gz JYUBZLSWJKGEQI-UHFFFAOYSA-N 0 0 241.294 2.654 50 0 BFAARN Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000019404206 384519168 /nfs/dbraw/zinc/51/91/68/384519168.db2.gz KPFHBSFTGVELLO-UHFFFAOYSA-N 0 0 230.054 2.626 50 0 BFAARN CCCCNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000270465533 384536595 /nfs/dbraw/zinc/53/65/95/384536595.db2.gz GIIYAWPPVMAJSJ-AWEZNQCLSA-N 0 0 247.338 2.720 50 0 BFAARN COc1ccccc1NC(=O)Nc1cc(C)on1 ZINC000016552483 384549093 /nfs/dbraw/zinc/54/90/93/384549093.db2.gz ZEXGKIRPAKYEIZ-UHFFFAOYSA-N 0 0 247.254 2.636 50 0 BFAARN Cc1cc(-c2ccc(O)c(C)c2)nc(N(C)C)n1 ZINC000097785249 384558382 /nfs/dbraw/zinc/55/83/82/384558382.db2.gz WHTYMXWLMFBCSO-UHFFFAOYSA-N 0 0 243.310 2.532 50 0 BFAARN C[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000019787732 384538890 /nfs/dbraw/zinc/53/88/90/384538890.db2.gz ZVDILYWGTUOROX-ZCFIWIBFSA-N 0 0 248.109 2.556 50 0 BFAARN CC(C)c1noc(CN(C)C[C@H]2CC=CCC2)n1 ZINC000097637934 384540434 /nfs/dbraw/zinc/54/04/34/384540434.db2.gz FESSOCNSLJVUSR-LBPRGKRZSA-N 0 0 249.358 2.981 50 0 BFAARN CCc1cc(CC)n(-c2ccccc2)n1 ZINC000098209844 384604835 /nfs/dbraw/zinc/60/48/35/384604835.db2.gz KQEVIGIQSXKHSJ-UHFFFAOYSA-N 0 0 200.285 2.997 50 0 BFAARN COc1nccn2nc(-c3ccc(C)cc3)cc12 ZINC000098212933 384605265 /nfs/dbraw/zinc/60/52/65/384605265.db2.gz BTUNLVQMZALUJX-UHFFFAOYSA-N 0 0 239.278 2.713 50 0 BFAARN O=c1cc(-c2ccc(-c3ccccc3)cc2)[nH][nH]1 ZINC000100028475 384610976 /nfs/dbraw/zinc/61/09/76/384610976.db2.gz PGJQRTHXGLIPQM-UHFFFAOYSA-N 0 0 236.274 2.578 50 0 BFAARN O=C1Nc2ccccc2[C@@H]1c1ccccc1 ZINC000100027841 384611388 /nfs/dbraw/zinc/61/13/88/384611388.db2.gz PAMMIXSSIGTOAK-ZDUSSCGKSA-N 0 0 209.248 2.771 50 0 BFAARN CCc1cccc(NC(=S)NC2CC2)c1 ZINC000016182830 384616827 /nfs/dbraw/zinc/61/68/27/384616827.db2.gz BDYMIZVMBVVKCQ-UHFFFAOYSA-N 0 0 220.341 2.698 50 0 BFAARN Cc1ccsc1C(=O)OCc1cncs1 ZINC000097050234 384619296 /nfs/dbraw/zinc/61/92/96/384619296.db2.gz ZLHXWAYNDOGAGZ-UHFFFAOYSA-N 0 0 239.321 2.870 50 0 BFAARN O=Cc1ccc(Cl)cc1OC(F)F ZINC000261506829 384623359 /nfs/dbraw/zinc/62/33/59/384623359.db2.gz BJIQXMVKVMXMQE-UHFFFAOYSA-N 0 0 206.575 2.754 50 0 BFAARN c1cc(CN2CCCC[C@@H]2c2cccnc2)n[nH]1 ZINC000020586909 384624309 /nfs/dbraw/zinc/62/43/09/384624309.db2.gz IBYKIICKDNOHCW-CQSZACIVSA-N 0 0 242.326 2.532 50 0 BFAARN CCCCC[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000050509092 384629215 /nfs/dbraw/zinc/62/92/15/384629215.db2.gz LLLVXYGATGWKGR-LBPRGKRZSA-N 0 0 221.300 2.592 50 0 BFAARN CC[C@](C)(CCO)NC(=O)c1cccc(C)c1C ZINC000097047573 384600860 /nfs/dbraw/zinc/60/08/60/384600860.db2.gz HZVJCKKZTLNBNI-OAHLLOKOSA-N 0 0 249.354 2.584 50 0 BFAARN CC(=O)c1ccc(NC(=O)c2ccsc2)nc1 ZINC000095444912 384644121 /nfs/dbraw/zinc/64/41/21/384644121.db2.gz KKSLDNJHTNUGMI-UHFFFAOYSA-N 0 0 246.291 2.598 50 0 BFAARN CC(C)[C@@H](NC(N)=O)c1ccc(Cl)cc1F ZINC000097081120 384648180 /nfs/dbraw/zinc/64/81/80/384648180.db2.gz VQLIMOISDRTMGW-SNVBAGLBSA-N 0 0 244.697 2.845 50 0 BFAARN Cc1ccc2[nH]c(-c3cccnc3N)nc2c1 ZINC000082291844 384662728 /nfs/dbraw/zinc/66/27/28/384662728.db2.gz DYVAQJIBANCZAB-UHFFFAOYSA-N 0 0 224.267 2.516 50 0 BFAARN CC(=O)c1nnn(-c2ccc(C(C)C)cc2)c1C ZINC000011888189 384678020 /nfs/dbraw/zinc/67/80/20/384678020.db2.gz BSXYWZHKZJAAQN-UHFFFAOYSA-N 0 0 243.310 2.902 50 0 BFAARN O=C1N[C@@H](Nc2ccccc2)c2ccccc21 ZINC000071773044 384683149 /nfs/dbraw/zinc/68/31/49/384683149.db2.gz UYGDTEOUPXULAQ-CYBMUJFWSA-N 0 0 224.263 2.541 50 0 BFAARN COC[C@H]1CCN(c2ccnc3ccsc32)C1 ZINC000078296922 384707176 /nfs/dbraw/zinc/70/71/76/384707176.db2.gz NSTBIUFIGFXXCC-JTQLQIEISA-N 0 0 248.351 2.769 50 0 BFAARN COC(=O)c1ccc2ccnc(Cl)c2c1 ZINC000082766594 384710821 /nfs/dbraw/zinc/71/08/21/384710821.db2.gz SZKDMOYPYAUGPM-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN Cc1ccc(C(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000021964273 384711701 /nfs/dbraw/zinc/71/17/01/384711701.db2.gz YKZCQDGPRHPUFN-UHFFFAOYSA-N 0 0 240.306 2.706 50 0 BFAARN CS[C@H]1CCCN(c2ccccc2)C1=O ZINC000079355832 384716909 /nfs/dbraw/zinc/71/69/09/384716909.db2.gz VKCHVODLKKWPDO-NSHDSACASA-N 0 0 221.325 2.545 50 0 BFAARN CCOc1cccc(N[C@@H](C)COC)c1 ZINC000053195890 384773291 /nfs/dbraw/zinc/77/32/91/384773291.db2.gz MWDJSVWYUMJING-JTQLQIEISA-N 0 0 209.289 2.532 50 0 BFAARN Cc1cc(C(=O)Nc2cnccn2)ccc1Cl ZINC000126111488 384773354 /nfs/dbraw/zinc/77/33/54/384773354.db2.gz CLLJMQIZPMVUBI-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN O=C1NCC/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000103469629 384774205 /nfs/dbraw/zinc/77/42/05/384774205.db2.gz FHSYOTAYRALNBW-CLFYSBASSA-N 0 0 241.212 2.609 50 0 BFAARN CC(=O)c1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C ZINC000087313305 384778180 /nfs/dbraw/zinc/77/81/80/384778180.db2.gz USVLYGPGZXKQSL-IINYFYTJSA-N 0 0 245.322 2.808 50 0 BFAARN CC(C)c1ncc(NC(=O)c2ccsc2)cn1 ZINC000279969926 384739356 /nfs/dbraw/zinc/73/93/56/384739356.db2.gz ONMMSZQAKHZMNQ-UHFFFAOYSA-N 0 0 247.323 2.914 50 0 BFAARN Clc1cnn(Cc2ccnc(Cl)c2)c1 ZINC000052719948 384742026 /nfs/dbraw/zinc/74/20/26/384742026.db2.gz OWNOPWZQDVXQKJ-UHFFFAOYSA-N 0 0 228.082 2.633 50 0 BFAARN CN(Cc1ccco1)C(=O)C[C@@H]1C=CCC1 ZINC000048251569 384750519 /nfs/dbraw/zinc/75/05/19/384750519.db2.gz UCTZHXUDRJNBEZ-LLVKDONJSA-N 0 0 219.284 2.594 50 0 BFAARN Clc1ccc(Cl)c(Cn2cncn2)c1 ZINC000083697198 384754408 /nfs/dbraw/zinc/75/44/08/384754408.db2.gz NBLIKDPHDUIKJY-UHFFFAOYSA-N 0 0 228.082 2.633 50 0 BFAARN CN(Cc1ccc(Cl)cc1)c1cnccn1 ZINC000083862534 384754530 /nfs/dbraw/zinc/75/45/30/384754530.db2.gz OXNNFBVFQXMLBZ-UHFFFAOYSA-N 0 0 233.702 2.766 50 0 BFAARN CC[C@@H](C)[C@H](C)NC(=O)c1cc(C2CC2)on1 ZINC000084721585 384764777 /nfs/dbraw/zinc/76/47/77/384764777.db2.gz LRXYMLGLSWNQKI-BDAKNGLRSA-N 0 0 236.315 2.716 50 0 BFAARN CCOc1ccccc1CNC(=O)C(C)(C)C ZINC000053165812 384767723 /nfs/dbraw/zinc/76/77/23/384767723.db2.gz SYAZPDGTGMOJLG-UHFFFAOYSA-N 0 0 235.327 2.748 50 0 BFAARN CC(C)Cn1ccnc(NC2CCCCC2)c1=O ZINC000061761959 384769968 /nfs/dbraw/zinc/76/99/68/384769968.db2.gz PCAQRUQHGRKOIL-UHFFFAOYSA-N 0 0 249.358 2.644 50 0 BFAARN CSCc1nccn1Cc1ccccc1 ZINC000089493792 384787629 /nfs/dbraw/zinc/78/76/29/384787629.db2.gz VPKLBVODSCTTDJ-UHFFFAOYSA-N 0 0 218.325 2.794 50 0 BFAARN CCc1c[nH]c(SCc2cc(C)on2)n1 ZINC000095416419 384811652 /nfs/dbraw/zinc/81/16/52/384811652.db2.gz OBIOKIIPMSBGAK-UHFFFAOYSA-N 0 0 223.301 2.561 50 0 BFAARN Cc1cc(C)cc(-n2nc3c(c2N)CSC3)c1 ZINC000026422199 384872319 /nfs/dbraw/zinc/87/23/19/384872319.db2.gz ANMMCTBQGGRPJE-UHFFFAOYSA-N 0 0 245.351 2.818 50 0 BFAARN CCOc1ccc(C2(O)CCCC2)cc1 ZINC000055190167 384872896 /nfs/dbraw/zinc/87/28/96/384872896.db2.gz BQHBVQOVBMOSCK-UHFFFAOYSA-N 0 0 206.285 2.847 50 0 BFAARN O=C(/C=C/c1ccccc1)N1CCSC1=S ZINC000026476431 384878127 /nfs/dbraw/zinc/87/81/27/384878127.db2.gz ICWILMQOCSTVLI-VOTSOKGWSA-N 0 0 249.360 2.560 50 0 BFAARN CCSC1=NN/C(=C2\C=Nc3ccccc32)O1 ZINC000105819517 384883007 /nfs/dbraw/zinc/88/30/07/384883007.db2.gz GDXLBWJSLGAOBF-LUAWRHEFSA-N 0 0 245.307 2.715 50 0 BFAARN Cc1cc(C=O)c(F)cc1Br ZINC000026893629 384883821 /nfs/dbraw/zinc/88/38/21/384883821.db2.gz RKISJSZBSQUZSJ-UHFFFAOYSA-N 0 0 217.037 2.709 50 0 BFAARN COCc1cc(OC)ccc1Br ZINC000083709983 384843958 /nfs/dbraw/zinc/84/39/58/384843958.db2.gz KFWYLHYVLKUTFY-UHFFFAOYSA-N 0 0 231.089 2.604 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000025560560 384855227 /nfs/dbraw/zinc/85/52/27/384855227.db2.gz QAFGZNIKOOFRDJ-HTRCEHHLSA-N 0 0 222.313 2.615 50 0 BFAARN CCCc1nn(C/C=C\c2ccccc2)c(=O)o1 ZINC000098052951 384952110 /nfs/dbraw/zinc/95/21/10/384952110.db2.gz UEHJTGXBHFHATA-POHAHGRESA-N 0 0 244.294 2.502 50 0 BFAARN C=COc1ccc(I)cc1 ZINC000085503460 384953252 /nfs/dbraw/zinc/95/32/52/384953252.db2.gz FYGIBTGQKKDQNV-UHFFFAOYSA-N 0 0 246.047 2.814 50 0 BFAARN C[C@H](COc1ccccc1)NC(=O)C(C)(C)C ZINC000055731346 384893369 /nfs/dbraw/zinc/89/33/69/384893369.db2.gz OXKYHHQGGVMYEQ-LLVKDONJSA-N 0 0 235.327 2.616 50 0 BFAARN CCS[C@H]1CCC[C@@H](NC(=O)N(C)CC)C1 ZINC000084760733 384903114 /nfs/dbraw/zinc/90/31/14/384903114.db2.gz OCSXWZBMOSQJNP-MNOVXSKESA-N 0 0 244.404 2.712 50 0 BFAARN Clc1cnc(N2C[C@@H]3CC=CC[C@@H]3C2)nc1 ZINC000095406815 384903874 /nfs/dbraw/zinc/90/38/74/384903874.db2.gz VTRUUMDWUOMEEE-AOOOYVTPSA-N 0 0 235.718 2.532 50 0 BFAARN COC(=O)c1c[nH]c2cc(C(F)(F)F)ccc12 ZINC000085210387 384927126 /nfs/dbraw/zinc/92/71/26/384927126.db2.gz NLOZHNZNDVZPBE-UHFFFAOYSA-N 0 0 243.184 2.973 50 0 BFAARN COC(=O)c1cc(-c2cccc(N)c2)ccc1F ZINC000085210192 384927252 /nfs/dbraw/zinc/92/72/52/384927252.db2.gz WIVLLDXKVULXCZ-UHFFFAOYSA-N 0 0 245.253 2.862 50 0 BFAARN Nc1cc(Br)ccc1OC(F)F ZINC000057218986 384932355 /nfs/dbraw/zinc/93/23/55/384932355.db2.gz UMLLZNUIVKDJHI-UHFFFAOYSA-N 0 0 238.031 2.633 50 0 BFAARN C[C@@H](C(=O)Nc1nccs1)c1ccccc1 ZINC000085423547 384944255 /nfs/dbraw/zinc/94/42/55/384944255.db2.gz RUWBQESMSKMVFE-SECBINFHSA-N 0 0 232.308 2.885 50 0 BFAARN Cc1ccc(CNc2cccnc2C)o1 ZINC000085711643 384964736 /nfs/dbraw/zinc/96/47/36/384964736.db2.gz LYDNSMOVJCIXOY-UHFFFAOYSA-N 0 0 202.257 2.904 50 0 BFAARN CCc1ccccc1OCC(=O)N[C@@H](C)CC ZINC000000131465 384991884 /nfs/dbraw/zinc/99/18/84/384991884.db2.gz DMNYRRSCRMMRHM-NSHDSACASA-N 0 0 235.327 2.543 50 0 BFAARN O=C(CCNc1ccccc1)N1CCCCCC1 ZINC000058326179 384995488 /nfs/dbraw/zinc/99/54/88/384995488.db2.gz PEJLTBUWUXKCNC-UHFFFAOYSA-N 0 0 246.354 2.891 50 0 BFAARN CCN(C(=O)[C@@H]1C[C@@H]1C)c1ccc(F)cc1 ZINC000058324176 384995637 /nfs/dbraw/zinc/99/56/37/384995637.db2.gz IVHZQQIIQOLEKG-JOYOIKCWSA-N 0 0 221.275 2.835 50 0 BFAARN Cc1cc(C)cc(NCC(=O)N2CCCCC2)c1 ZINC000058374125 385000158 /nfs/dbraw/zinc/00/01/58/385000158.db2.gz XBOPNPQWEDSKDP-UHFFFAOYSA-N 0 0 246.354 2.728 50 0 BFAARN Cc1noc(C)c1NC(=O)CCC(C)C ZINC000058342964 385000491 /nfs/dbraw/zinc/00/04/91/385000491.db2.gz HOUAEFRQTFJTKU-UHFFFAOYSA-N 0 0 210.277 2.666 50 0 BFAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)C1CC1 ZINC000058344746 385000735 /nfs/dbraw/zinc/00/07/35/385000735.db2.gz LIRXIBVGSGWPQE-AWEZNQCLSA-N 0 0 246.354 2.879 50 0 BFAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccn(C)n2)C1(C)C ZINC000058424044 385003502 /nfs/dbraw/zinc/00/35/02/385003502.db2.gz AQTPEKSWUJLIOI-ZYHUDNBSSA-N 0 0 247.342 2.597 50 0 BFAARN CC(C)n1cnnc1SCc1cccnc1 ZINC000058656335 385018247 /nfs/dbraw/zinc/01/82/47/385018247.db2.gz BWTNIYLZAVWIRJ-UHFFFAOYSA-N 0 0 234.328 2.546 50 0 BFAARN CCCc1nccn1Cc1c(C)onc1CC ZINC000095441055 385067824 /nfs/dbraw/zinc/06/78/24/385067824.db2.gz JFKKGXNBIWCXQS-UHFFFAOYSA-N 0 0 233.315 2.743 50 0 BFAARN Cc1ccn2c(c1)nc(-c1ccccc1)cc2=O ZINC000001636779 385078599 /nfs/dbraw/zinc/07/85/99/385078599.db2.gz GZKULHFHGSQYTP-UHFFFAOYSA-N 0 0 236.274 2.670 50 0 BFAARN Cc1ccc(C(=O)N2CCn3cccc3[C@H]2C)o1 ZINC000030796398 385025037 /nfs/dbraw/zinc/02/50/37/385025037.db2.gz IBVUMWQUOBVUBT-LLVKDONJSA-N 0 0 244.294 2.607 50 0 BFAARN Cc1nc(C)c(C(=O)N2CCCC[C@H]2C)s1 ZINC000058872353 385032272 /nfs/dbraw/zinc/03/22/72/385032272.db2.gz FGKANSRMOQJCFI-MRVPVSSYSA-N 0 0 238.356 2.775 50 0 BFAARN CCc1ccc(CNC(=O)N2CCCC2)s1 ZINC000059320938 385045208 /nfs/dbraw/zinc/04/52/08/385045208.db2.gz ACBRLYNTTXJGAU-UHFFFAOYSA-N 0 0 238.356 2.616 50 0 BFAARN C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000005696393 385123676 /nfs/dbraw/zinc/12/36/76/385123676.db2.gz HCNCEEAFXADKPJ-NOOOWODRSA-N 0 0 223.360 2.973 50 0 BFAARN Nc1c2c(c(Cl)cc1Cl)OCC2 ZINC000072233310 385131512 /nfs/dbraw/zinc/13/15/12/385131512.db2.gz QEKHZKKHFIBEAV-UHFFFAOYSA-N 0 0 204.056 2.511 50 0 BFAARN CC(C)COc1ccc(C=O)nc1Cl ZINC000585672533 385132756 /nfs/dbraw/zinc/13/27/56/385132756.db2.gz WIJRPBDHFTZJMY-UHFFFAOYSA-N 0 0 213.664 2.582 50 0 BFAARN Cc1csc(CNc2ccc(CCO)cc2)n1 ZINC000096461401 385181554 /nfs/dbraw/zinc/18/15/54/385181554.db2.gz FPXWIJZSHZPLQA-UHFFFAOYSA-N 0 0 248.351 2.598 50 0 BFAARN COC(=O)c1c(C)nc2ccccc2c1C ZINC000005534284 385201940 /nfs/dbraw/zinc/20/19/40/385201940.db2.gz XQLNMJAKGKSIJR-UHFFFAOYSA-N 0 0 215.252 2.638 50 0 BFAARN O=C(C1CCC1)N1CCC[C@H]1c1ccncc1 ZINC000032902265 385190684 /nfs/dbraw/zinc/19/06/84/385190684.db2.gz VTAWQMRTXSVVKF-ZDUSSCGKSA-N 0 0 230.311 2.545 50 0 BFAARN Cc1nc(-c2ccccc2)sc1C(=O)N(C)C ZINC000005697356 385146121 /nfs/dbraw/zinc/14/61/21/385146121.db2.gz WEIBYEBGZRFSNU-UHFFFAOYSA-N 0 0 246.335 2.820 50 0 BFAARN Cc1noc(-c2cc3ccccc3o2)n1 ZINC000061957938 385147371 /nfs/dbraw/zinc/14/73/71/385147371.db2.gz YGUKAROQNOFYLS-UHFFFAOYSA-N 0 0 200.197 2.791 50 0 BFAARN Cc1cc(C)c(-c2cc(C)nc(N)n2)c(C)c1 ZINC000032541502 385171089 /nfs/dbraw/zinc/17/10/89/385171089.db2.gz REATZCGCRCSILO-UHFFFAOYSA-N 0 0 227.311 2.959 50 0 BFAARN CSCCOC(=O)c1cnc(C2CC2)s1 ZINC000096443008 385171285 /nfs/dbraw/zinc/17/12/85/385171285.db2.gz VKQRELNRYJKAHF-UHFFFAOYSA-N 0 0 243.353 2.540 50 0 BFAARN CCS[C@@H]1CCC[C@H]1NC(=O)C1CCCC1 ZINC000096450672 385172726 /nfs/dbraw/zinc/17/27/26/385172726.db2.gz IOKQYDOGBPGVPN-VXGBXAGGSA-N 0 0 241.400 2.967 50 0 BFAARN CCS[C@H]1CCC[C@H]1NC(=O)C1CCCC1 ZINC000096450674 385173778 /nfs/dbraw/zinc/17/37/78/385173778.db2.gz IOKQYDOGBPGVPN-NEPJUHHUSA-N 0 0 241.400 2.967 50 0 BFAARN C[C@H]1CNc2cc(Br)ccc2O1 ZINC000062529552 385175793 /nfs/dbraw/zinc/17/57/93/385175793.db2.gz VJWHRBJNHZTLQF-LURJTMIESA-N 0 0 228.089 2.642 50 0 BFAARN CCS[C@@H]1CCC[C@H]1Nc1nnc(C)s1 ZINC000096482475 385222125 /nfs/dbraw/zinc/22/21/25/385222125.db2.gz OCNXCLLVGFPVPR-RKDXNWHRSA-N 0 0 243.401 2.933 50 0 BFAARN Cc1noc([C@@H](C)SCc2ccccn2)n1 ZINC000096494683 385235700 /nfs/dbraw/zinc/23/57/00/385235700.db2.gz GRCRVVQGXPCOSI-MRVPVSSYSA-N 0 0 235.312 2.767 50 0 BFAARN c1c(CSC2=NCCS2)nc2ccccn12 ZINC000000126074 385241348 /nfs/dbraw/zinc/24/13/48/385241348.db2.gz WXAQRAKHLPNLDV-UHFFFAOYSA-N 0 0 249.364 2.670 50 0 BFAARN Cc1noc(CN(C)C[C@H](C)c2ccccc2)n1 ZINC000065371694 385302569 /nfs/dbraw/zinc/30/25/69/385302569.db2.gz MGZHEEYUELLDMM-NSHDSACASA-N 0 0 245.326 2.614 50 0 BFAARN COc1ncccc1-c1ccc2nc[nH]c2c1 ZINC000065404908 385305872 /nfs/dbraw/zinc/30/58/72/385305872.db2.gz ITUFCVHDKCQEKW-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN FC(F)(F)c1cccnc1NCc1ccon1 ZINC000065454240 385311261 /nfs/dbraw/zinc/31/12/61/385311261.db2.gz KFRVTKJKAGFBGB-UHFFFAOYSA-N 0 0 243.188 2.701 50 0 BFAARN FC(F)(F)CNCc1ccccc1Cl ZINC000019807456 385314234 /nfs/dbraw/zinc/31/42/34/385314234.db2.gz ZXBMYWSXMSZRKM-UHFFFAOYSA-N 0 0 223.625 2.992 50 0 BFAARN Cc1nc(-c2[nH]cnc2-c2ccccc2)c[nH]1 ZINC000065529944 385321152 /nfs/dbraw/zinc/32/11/52/385321152.db2.gz VCPCZPGUIXFJSY-UHFFFAOYSA-N 0 0 224.267 2.775 50 0 BFAARN O=c1[nH]c(-c2ccccc2)c(O)c2ccccc12 ZINC000100701552 385263771 /nfs/dbraw/zinc/26/37/71/385263771.db2.gz BDXPHBBJPXHDAF-UHFFFAOYSA-N 0 0 237.258 2.901 50 0 BFAARN O=C1OCCN1c1ccc(C(F)(F)F)cc1 ZINC000008716947 385270307 /nfs/dbraw/zinc/27/03/07/385270307.db2.gz MMGBVKMXTVGNAV-UHFFFAOYSA-N 0 0 231.173 2.662 50 0 BFAARN CC(=O)c1cc(Cl)c(Cl)cc1O ZINC000034168446 385273564 /nfs/dbraw/zinc/27/35/64/385273564.db2.gz LZDZGKFMOJUAKB-UHFFFAOYSA-N 0 0 205.040 2.902 50 0 BFAARN COCOc1ccc(C(F)(F)F)cc1 ZINC000034599918 385287803 /nfs/dbraw/zinc/28/78/03/385287803.db2.gz VWVUGKXYBUTSFI-UHFFFAOYSA-N 0 0 206.163 2.688 50 0 BFAARN Cc1nc(C)c(-c2ccccc2CO)s1 ZINC000065531695 385323419 /nfs/dbraw/zinc/32/34/19/385323419.db2.gz BRZKXYGTTVPKKT-UHFFFAOYSA-N 0 0 219.309 2.919 50 0 BFAARN O=C(C[C@H]1C=CCC1)Nc1ccccc1O ZINC000015518892 385297448 /nfs/dbraw/zinc/29/74/48/385297448.db2.gz XLDCFSFHPOQNEY-JTQLQIEISA-N 0 0 217.268 2.687 50 0 BFAARN C/C=C/C=C\C(=O)Nc1cccnc1OCC ZINC000098006953 385349164 /nfs/dbraw/zinc/34/91/64/385349164.db2.gz ZTRDWRRJKPFPAU-BWRAOMHSSA-N 0 0 232.283 2.551 50 0 BFAARN c1cc2c(ncnc2N2C[C@@H]3CCC[C@H]3C2)s1 ZINC000098019108 385358183 /nfs/dbraw/zinc/35/81/83/385358183.db2.gz AFJFPQDCNPLBGB-UWVGGRQHSA-N 0 0 245.351 2.928 50 0 BFAARN Cc1nc(C)n(CCc2ccccc2Cl)n1 ZINC000098019001 385358902 /nfs/dbraw/zinc/35/89/02/385358902.db2.gz LOTPDFOXCRLSJT-UHFFFAOYSA-N 0 0 235.718 2.791 50 0 BFAARN Cc1cscc1-c1nc([C@H]2CCOC2)no1 ZINC000098019191 385359119 /nfs/dbraw/zinc/35/91/19/385359119.db2.gz VURLPEZEHDCHMM-QMMMGPOBSA-N 0 0 236.296 2.610 50 0 BFAARN O=C(Nc1nccs1)C12CCC(CC1)C2 ZINC000004853668 385364854 /nfs/dbraw/zinc/36/48/54/385364854.db2.gz OYLAGNWDKWKWMU-UHFFFAOYSA-N 0 0 222.313 2.662 50 0 BFAARN CC(=O)c1cccc(C(F)(F)F)c1O ZINC000169146497 385407665 /nfs/dbraw/zinc/40/76/65/385407665.db2.gz AFTZVZKIPQCZPT-UHFFFAOYSA-N 0 0 204.147 2.614 50 0 BFAARN FC(F)(F)c1ccncc1N1CCSC1 ZINC000169725747 385418095 /nfs/dbraw/zinc/41/80/95/385418095.db2.gz HHMMCQYHNFZWAA-UHFFFAOYSA-N 0 0 234.246 2.611 50 0 BFAARN O=Cc1c(F)cccc1OCCC(F)(F)F ZINC000169725276 385418337 /nfs/dbraw/zinc/41/83/37/385418337.db2.gz VFGVVCUENBSMHX-UHFFFAOYSA-N 0 0 236.164 2.969 50 0 BFAARN CCc1ccccc1Cn1ccnc1C ZINC000275420457 385441912 /nfs/dbraw/zinc/44/19/12/385441912.db2.gz HMZPOFPLLMRVPX-UHFFFAOYSA-N 0 0 200.285 2.802 50 0 BFAARN CCCN(CC(F)F)C(=O)Cc1ccsc1 ZINC000194714757 385533298 /nfs/dbraw/zinc/53/32/98/385533298.db2.gz IBSSBBATSRPOIC-UHFFFAOYSA-N 0 0 247.310 2.794 50 0 BFAARN Cc1noc(COc2ccccc2O)c1Cl ZINC000003163737 385557999 /nfs/dbraw/zinc/55/79/99/385557999.db2.gz INURZWWSOYDHKJ-UHFFFAOYSA-N 0 0 239.658 2.921 50 0 BFAARN Cc1noc(C)c1-c1noc(C(C)(C)F)n1 ZINC000334670273 385603264 /nfs/dbraw/zinc/60/32/64/385603264.db2.gz ZLIQNWIXKFGGML-UHFFFAOYSA-N 0 0 225.223 2.546 50 0 BFAARN CC(=O)c1ccc(C(=O)Nc2ccccn2)s1 ZINC000012523252 385614650 /nfs/dbraw/zinc/61/46/50/385614650.db2.gz URLWLNAGGLFICG-UHFFFAOYSA-N 0 0 246.291 2.598 50 0 BFAARN Nc1cccc2ncc(C(F)(F)F)cc12 ZINC000255187306 385712619 /nfs/dbraw/zinc/71/26/19/385712619.db2.gz CQMXQQDABAFPMA-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN COC(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000006844632 385846092 /nfs/dbraw/zinc/84/60/92/385846092.db2.gz SITBEBOYLOYKGY-MRVPVSSYSA-N 0 0 228.675 2.589 50 0 BFAARN Cc1ccc(CNC(=O)c2ccc(O)cc2)cc1 ZINC000007670966 385907219 /nfs/dbraw/zinc/90/72/19/385907219.db2.gz RJAUGLDJSYASPI-UHFFFAOYSA-N 0 0 241.290 2.631 50 0 BFAARN CC[C@@H](C)NC(=O)[C@@H](C)c1ccccc1 ZINC000096319166 385913361 /nfs/dbraw/zinc/91/33/61/385913361.db2.gz FVOVRIBKKZMJNZ-MNOVXSKESA-N 0 0 205.301 2.705 50 0 BFAARN CC(C)c1cc(CN(C)[C@@H](C)c2ccon2)on1 ZINC000216178479 385861810 /nfs/dbraw/zinc/86/18/10/385861810.db2.gz YVHLBRCRKKXDEW-JTQLQIEISA-N 0 0 249.314 2.979 50 0 BFAARN CCOc1cccc(NC(=O)C(C)C)c1 ZINC000055767698 385928534 /nfs/dbraw/zinc/92/85/34/385928534.db2.gz GMJOMGSIGHMGOP-UHFFFAOYSA-N 0 0 207.273 2.680 50 0 BFAARN C[C@H](CC1CC1)Nc1cccc(CO)c1 ZINC000183867615 386042323 /nfs/dbraw/zinc/04/23/23/386042323.db2.gz ITAHBKOKASWWDB-SNVBAGLBSA-N 0 0 205.301 2.779 50 0 BFAARN CCCCCn1ccc2ccn(C)c2c1=O ZINC000095980751 386153816 /nfs/dbraw/zinc/15/38/16/386153816.db2.gz IYWGXIVIEVCXOA-UHFFFAOYSA-N 0 0 218.300 2.530 50 0 BFAARN Fc1cc(OC(F)F)cc(Br)n1 ZINC000263624339 386157652 /nfs/dbraw/zinc/15/76/52/386157652.db2.gz PLJFONYDZYYDPH-UHFFFAOYSA-N 0 0 241.994 2.585 50 0 BFAARN Cc1c(Br)cncc1OC(F)F ZINC000263625377 386158878 /nfs/dbraw/zinc/15/88/78/386158878.db2.gz ZIILORLFZFINAD-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN Cc1ccc(OC(F)F)c(Br)n1 ZINC000263624767 386159358 /nfs/dbraw/zinc/15/93/58/386159358.db2.gz TZVNOZDVOBQKOX-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN C[C@@H](NC(=O)C(C)(C)C(F)F)c1nccs1 ZINC000225397192 386190509 /nfs/dbraw/zinc/19/05/09/386190509.db2.gz ZTSPHUABBDHQJI-ZCFIWIBFSA-N 0 0 248.298 2.612 50 0 BFAARN CC(C)n1nnnc1-c1ccc(Cl)cc1 ZINC000001405202 386260294 /nfs/dbraw/zinc/26/02/94/386260294.db2.gz JJLVMQJAGZJIHE-UHFFFAOYSA-N 0 0 222.679 2.574 50 0 BFAARN Cc1noc(C)c1C(=O)N(C)c1ccccc1 ZINC000001403200 386251013 /nfs/dbraw/zinc/25/10/13/386251013.db2.gz ZYIOGYMESNYJBL-UHFFFAOYSA-N 0 0 230.267 2.568 50 0 BFAARN CCc1cccnc1NC(=O)CC1(OC)CCC1 ZINC000276834077 386380771 /nfs/dbraw/zinc/38/07/71/386380771.db2.gz XETMLACAMGQPDB-UHFFFAOYSA-N 0 0 248.326 2.542 50 0 BFAARN CC(=O)c1c(F)ccc(F)c1Br ZINC000238121571 386445528 /nfs/dbraw/zinc/44/55/28/386445528.db2.gz GLIIMDYPKPWEEA-UHFFFAOYSA-N 0 0 235.027 2.930 50 0 BFAARN CCCCNC(=O)c1sccc1CC ZINC000052929815 386387889 /nfs/dbraw/zinc/38/78/89/386387889.db2.gz DTFBVHATGCXNRA-UHFFFAOYSA-N 0 0 211.330 2.840 50 0 BFAARN COC(=O)c1ccc(OCC(C)C)cc1 ZINC000001476176 386466658 /nfs/dbraw/zinc/46/66/58/386466658.db2.gz RCRQMSBRYCDOSX-UHFFFAOYSA-N 0 0 208.257 2.508 50 0 BFAARN COCC[C@H](C)SCc1ccccn1 ZINC000095991024 386495396 /nfs/dbraw/zinc/49/53/96/386495396.db2.gz PKWUJFZERYIYED-JTQLQIEISA-N 0 0 211.330 2.740 50 0 BFAARN CCCc1nnc(N2C[C@H]3CCC[C@@H]3C2)s1 ZINC000095418478 386520036 /nfs/dbraw/zinc/52/00/36/386520036.db2.gz IVBVSDGWEYAZEH-NXEZZACHSA-N 0 0 237.372 2.727 50 0 BFAARN Nc1ccc(Br)c(OC(F)F)c1 ZINC000095630907 386525238 /nfs/dbraw/zinc/52/52/38/386525238.db2.gz YDNMEBRTPBTYIQ-UHFFFAOYSA-N 0 0 238.031 2.633 50 0 BFAARN COC(=O)c1cnoc1-c1ccc(Cl)cc1 ZINC000328579043 386525684 /nfs/dbraw/zinc/52/56/84/386525684.db2.gz KWOGGSTXPMBDDL-UHFFFAOYSA-N 0 0 237.642 2.782 50 0 BFAARN CC(=O)c1sc(-c2ccoc2)nc1C ZINC000063046772 386584800 /nfs/dbraw/zinc/58/48/00/386584800.db2.gz SYTNGMPVJGHNEF-UHFFFAOYSA-N 0 0 207.254 2.914 50 0 BFAARN Cc1cc(C(=O)O[C@H](C)CC(C)(C)O)c(C)o1 ZINC000239351857 386540984 /nfs/dbraw/zinc/54/09/84/386540984.db2.gz AACLQESVAKBZDS-SECBINFHSA-N 0 0 240.299 2.603 50 0 BFAARN Cc1c[nH]c([C@H](C)NC(=O)C2C(C)(C)C2(C)C)n1 ZINC000534586384 386644903 /nfs/dbraw/zinc/64/49/03/386644903.db2.gz CCSYWJBLKPUEST-VIFPVBQESA-N 0 0 249.358 2.578 50 0 BFAARN O=c1[nH]cccc1-c1cc(F)c(F)c(F)c1 ZINC000534585490 386645000 /nfs/dbraw/zinc/64/50/00/386645000.db2.gz FZRSUDJNLMYGCL-UHFFFAOYSA-N 0 0 225.169 2.872 50 0 BFAARN CC(C)[C@@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 ZINC000049122475 386649967 /nfs/dbraw/zinc/64/99/67/386649967.db2.gz BQCWOMXEBAQYPW-NSHDSACASA-N 0 0 240.734 2.929 50 0 BFAARN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccn1 ZINC000246384158 386651431 /nfs/dbraw/zinc/65/14/31/386651431.db2.gz NMLZXZFDWNQEIZ-MBNYWOFBSA-N 0 0 244.338 2.875 50 0 BFAARN C[C@H]1CC[C@@H](n2cc(-c3ccccn3)nn2)C1 ZINC000585124324 386679349 /nfs/dbraw/zinc/67/93/49/386679349.db2.gz YUGMKHHONNQGRX-WDEREUQCSA-N 0 0 228.299 2.701 50 0 BFAARN CC(C)(C)Sc1ccc([C@H]([NH3+])C(=O)[O-])cc1 ZINC000228984157 386658508 /nfs/dbraw/zinc/65/85/08/386658508.db2.gz GMLRFEWSLUWJSU-JTQLQIEISA-N 0 0 239.340 2.662 50 0 BFAARN OCCCCCCN1CCCc2ccccc21 ZINC000075105451 386786525 /nfs/dbraw/zinc/78/65/25/386786525.db2.gz ADJJZHISIWJQRM-UHFFFAOYSA-N 0 0 233.355 2.992 50 0 BFAARN C[C@H](NC(=O)NCc1ccco1)c1ccccc1 ZINC000012917150 386896218 /nfs/dbraw/zinc/89/62/18/386896218.db2.gz OWDCBLIQFLAPIL-NSHDSACASA-N 0 0 244.294 2.840 50 0 BFAARN Cc1nc(CN2CCC[C@](C)(F)C2)oc1C ZINC000295354688 387115949 /nfs/dbraw/zinc/11/59/49/387115949.db2.gz IWJUGIHMVDXTDD-LBPRGKRZSA-N 0 0 226.295 2.615 50 0 BFAARN Cc1ccc(-n2nc3c(c2N)CCCC3)cc1 ZINC000076500228 387154110 /nfs/dbraw/zinc/15/41/10/387154110.db2.gz DMIIONIYJHMLJI-UHFFFAOYSA-N 0 0 227.311 2.642 50 0 BFAARN O=C(c1ccco1)N1CCC(C(F)(F)F)CC1 ZINC000088439180 387181562 /nfs/dbraw/zinc/18/15/62/387181562.db2.gz OVQRZYLAQOUAGU-UHFFFAOYSA-N 0 0 247.216 2.694 50 0 BFAARN CCCn1ccc(NC(=O)c2ccsc2)n1 ZINC000064555588 387221057 /nfs/dbraw/zinc/22/10/57/387221057.db2.gz FIFXCNUODQNTQV-UHFFFAOYSA-N 0 0 235.312 2.607 50 0 BFAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)C1CCC1 ZINC000064555490 387221498 /nfs/dbraw/zinc/22/14/98/387221498.db2.gz JIEWAGSENOPELD-GFCCVEGCSA-N 0 0 248.326 2.755 50 0 BFAARN CC(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000000519934 322809744 /nfs/dbraw/zinc/80/97/44/322809744.db2.gz AWNOGHRWORTNEI-RYUDHWBXSA-N 0 0 208.301 2.932 50 0 BFAARN O=C1N[C@]23CC=CC[C@@]12CCCCCC3 ZINC000005179831 387233248 /nfs/dbraw/zinc/23/32/48/387233248.db2.gz VFYRKGAMLRZLPZ-QWHCGFSZSA-N 0 0 205.301 2.546 50 0 BFAARN CCc1cccc(C)c1NC(=O)OCCOC ZINC000002172105 387239765 /nfs/dbraw/zinc/23/97/65/387239765.db2.gz AXJUFNUPSRTVNX-UHFFFAOYSA-N 0 0 237.299 2.752 50 0 BFAARN O=C(Nc1nccs1)c1cc(F)ccc1F ZINC000014128778 387250581 /nfs/dbraw/zinc/25/05/81/387250581.db2.gz GBZYFDVJTXYIOC-UHFFFAOYSA-N 0 0 240.234 2.674 50 0 BFAARN Cc1cc(C(=O)Nc2ccccc2Cl)on1 ZINC000014018743 387250954 /nfs/dbraw/zinc/25/09/54/387250954.db2.gz TXCFPRFEYRLOPT-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN O=C1Cc2cc(Cl)c(Br)cc2N1 ZINC000230569489 387270078 /nfs/dbraw/zinc/27/00/78/387270078.db2.gz RJWNCPKNANWIGI-UHFFFAOYSA-N 0 0 246.491 2.597 50 0 BFAARN COCO[C@H]1CC(C)(C)C=C1Br ZINC000043198809 387274157 /nfs/dbraw/zinc/27/41/57/387274157.db2.gz ITIUHRWFUPQORO-QMMMGPOBSA-N 0 0 235.121 2.684 50 0 BFAARN C[C@]12CCCCC1=NN(c1ccccc1)C2=O ZINC000071774162 387283192 /nfs/dbraw/zinc/28/31/92/387283192.db2.gz WGUHAEFYDBOPEH-AWEZNQCLSA-N 0 0 228.295 2.970 50 0 BFAARN C/C(=C\C(=O)N1CCO[C@@H]2CCCC[C@H]21)C1CC1 ZINC000089262197 387287425 /nfs/dbraw/zinc/28/74/25/387287425.db2.gz WWXCVJMHLPVYGK-SNESEAJLSA-N 0 0 249.354 2.513 50 0 BFAARN CC[C@@H](OC)C(=O)NC1(c2ccccc2C)CC1 ZINC000648467917 387354706 /nfs/dbraw/zinc/35/47/06/387354706.db2.gz RAWYBSVTHIDIQQ-CYBMUJFWSA-N 0 0 247.338 2.525 50 0 BFAARN CCSCC[C@@H](C)N(C)C(=O)c1ccc[nH]1 ZINC000075380620 387384258 /nfs/dbraw/zinc/38/42/58/387384258.db2.gz IWABDFJPIVPJDD-SNVBAGLBSA-N 0 0 240.372 2.618 50 0 BFAARN O=C1Nc2ccccc2[C@H]1Cc1ccco1 ZINC000035537763 387368045 /nfs/dbraw/zinc/36/80/45/387368045.db2.gz VJOUAALJLFAXRJ-LLVKDONJSA-N 0 0 213.236 2.558 50 0 BFAARN Cc1cnc(COc2ccc3c(c2)CCC3=O)o1 ZINC000186852351 387352079 /nfs/dbraw/zinc/35/20/79/387352079.db2.gz WOSXSYBZSOKNSH-UHFFFAOYSA-N 0 0 243.262 2.691 50 0 BFAARN CCCCC[S@@](=O)c1cccc(O)c1 ZINC000191200475 387352276 /nfs/dbraw/zinc/35/22/76/387352276.db2.gz MJIMVUHEPQHSCS-CQSZACIVSA-N 0 0 212.314 2.690 50 0 BFAARN CCC[C@]1(COC)CCCN1C(=O)[C@@H](C)CC ZINC000192763579 387437924 /nfs/dbraw/zinc/43/79/24/387437924.db2.gz KVYCLFDSVSEADU-GXTWGEPZSA-N 0 0 241.375 2.840 50 0 BFAARN C[C@H]1C[C@H]1C(=O)Nc1cccc2ncccc21 ZINC000032750126 387442549 /nfs/dbraw/zinc/44/25/49/387442549.db2.gz JSTKKYQEQZNXOC-GXSJLCMTSA-N 0 0 226.279 2.829 50 0 BFAARN Cc1n[nH]c(C)c1CN(C)c1ccccc1 ZINC000091352793 387456008 /nfs/dbraw/zinc/45/60/08/387456008.db2.gz BXANBQLAIOSEPD-UHFFFAOYSA-N 0 0 215.300 2.663 50 0 BFAARN O=C(/C=C/c1cccs1)NCCc1ccoc1 ZINC000090607374 387456065 /nfs/dbraw/zinc/45/60/65/387456065.db2.gz HNXYBTCWTDHHCH-ONEGZZNKSA-N 0 0 247.319 2.713 50 0 BFAARN CCN(C(=O)c1ccc(C)s1)C1CC1 ZINC000032760906 387456184 /nfs/dbraw/zinc/45/61/84/387456184.db2.gz NBMXDYOTWXZVCE-UHFFFAOYSA-N 0 0 209.314 2.681 50 0 BFAARN CC(C)[C@H]1OCC[C@H]1CNc1ccccn1 ZINC000096453806 387462417 /nfs/dbraw/zinc/46/24/17/387462417.db2.gz XVCYMPDDGVYKPL-WCQYABFASA-N 0 0 220.316 2.555 50 0 BFAARN CCSCC[C@H](C)N(C)C(=O)c1ccc[nH]1 ZINC000075380621 387385205 /nfs/dbraw/zinc/38/52/05/387385205.db2.gz IWABDFJPIVPJDD-JTQLQIEISA-N 0 0 240.372 2.618 50 0 BFAARN FC1(F)CCN(c2cnc3ccccc3n2)CC1 ZINC000575606031 387394772 /nfs/dbraw/zinc/39/47/72/387394772.db2.gz JBZXCEZDYYUQFN-UHFFFAOYSA-N 0 0 249.264 2.865 50 0 BFAARN C[C@@H]1O[C@H](C)[C@H](C)[C@H](c2ccccc2O)O1 ZINC000101105844 387469221 /nfs/dbraw/zinc/46/92/21/387469221.db2.gz OSYQUVFLQIPNCW-DCJFZGGZSA-N 0 0 222.284 2.851 50 0 biogenic BFAARN CCCNC(=O)c1csc(Br)c1 ZINC000032779853 387472820 /nfs/dbraw/zinc/47/28/20/387472820.db2.gz WVFORFDVRAXIRI-UHFFFAOYSA-N 0 0 248.145 2.650 50 0 BFAARN CCCn1c(=N)sc2cc(F)ccc21 ZINC000100968683 387473248 /nfs/dbraw/zinc/47/32/48/387473248.db2.gz REXOHIXYBQRQEW-UHFFFAOYSA-N 0 0 210.277 2.731 50 0 BFAARN COc1cc(F)ccc1-c1n[nH]c(C(C)(C)C)n1 ZINC000426548629 387581000 /nfs/dbraw/zinc/58/10/00/387581000.db2.gz WKEYRIVQDPTBMO-UHFFFAOYSA-N 0 0 249.289 2.917 50 0 BFAARN CCOc1cccc(-c2cc(CO)ncc2F)c1 ZINC000426648208 387583000 /nfs/dbraw/zinc/58/30/00/387583000.db2.gz WUAAPNFAZBDSHX-UHFFFAOYSA-N 0 0 247.269 2.779 50 0 BFAARN CCc1nc(-c2cc(C)c(OC)c(C)c2)nn1C ZINC000426360066 387559971 /nfs/dbraw/zinc/55/99/71/387559971.db2.gz ZXUWRMMXBWOXGX-UHFFFAOYSA-N 0 0 245.326 2.670 50 0 BFAARN COc1cc(-c2cscc2C)nc(OC)n1 ZINC000426473334 387575276 /nfs/dbraw/zinc/57/52/76/387575276.db2.gz ATJHLBJCIWMINN-UHFFFAOYSA-N 0 0 236.296 2.531 50 0 BFAARN CCn1nc(C)nc1-c1cnn(CCC(C)C)c1 ZINC000426518365 387577343 /nfs/dbraw/zinc/57/73/43/387577343.db2.gz RWXSQEDIWWYKHG-UHFFFAOYSA-N 0 0 247.346 2.516 50 0 BFAARN Cc1cc(-c2cn[nH]c2)nc(-c2ccccc2)n1 ZINC000426513483 387577464 /nfs/dbraw/zinc/57/74/64/387577464.db2.gz BNULEZMEHUSFCK-UHFFFAOYSA-N 0 0 236.278 2.842 50 0 BFAARN CCn1ncc(C[N@H+](C)C[C@@H]2CC=CCC2)c1C ZINC000426527921 387578367 /nfs/dbraw/zinc/57/83/67/387578367.db2.gz OJCULMOTMQYOTK-CQSZACIVSA-N 0 0 247.386 3.000 50 0 BFAARN CC(=O)Nc1cccc2nc(C)ccc21 ZINC000006704123 387691427 /nfs/dbraw/zinc/69/14/27/387691427.db2.gz JQNGUBDEHJXCHA-UHFFFAOYSA-N 0 0 200.241 2.502 50 0 BFAARN CC(C)CNC(=O)[C@H](C)c1ccccc1 ZINC000163562098 387765713 /nfs/dbraw/zinc/76/57/13/387765713.db2.gz ROIMNKGFRQUDBH-LLVKDONJSA-N 0 0 205.301 2.562 50 0 BFAARN Cc1nc(C)n2ccnc(NCc3ccco3)c12 ZINC000065240148 387897740 /nfs/dbraw/zinc/89/77/40/387897740.db2.gz HLGABUMGDYOKJF-UHFFFAOYSA-N 0 0 242.282 2.551 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(C)c(C)c2)n[nH]1 ZINC000006736876 177816169 /nfs/dbraw/zinc/81/61/69/177816169.db2.gz YTQJIWLDEMLGLC-UHFFFAOYSA-N 0 0 229.283 2.587 50 0 BFAARN CC[C@@H](C)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000065491043 388004283 /nfs/dbraw/zinc/00/42/83/388004283.db2.gz HAEVUMVRGZSTNO-BDAKNGLRSA-N 0 0 237.265 2.833 50 0 BFAARN CCc1cccc(NC(=O)c2cc(C)[nH]n2)c1 ZINC000054058027 388014029 /nfs/dbraw/zinc/01/40/29/388014029.db2.gz HFWBRSLSTWRIOU-UHFFFAOYSA-N 0 0 229.283 2.533 50 0 BFAARN C[C@@H](C(=O)[O-])[N@H+](C)Cc1cccc2ccccc21 ZINC000054070411 388022737 /nfs/dbraw/zinc/02/27/37/388022737.db2.gz SLULYOAJIBQCNB-NSHDSACASA-N 0 0 243.306 2.745 50 0 BFAARN O=C(C1CC1)N1CCC(c2ccccc2)CC1 ZINC000006864091 388063820 /nfs/dbraw/zinc/06/38/20/388063820.db2.gz ANJCHKVAHDNKLX-UHFFFAOYSA-N 0 0 229.323 2.803 50 0 BFAARN Cc1noc(C)c1NC(=O)c1ccc(F)cc1 ZINC000084025565 388070293 /nfs/dbraw/zinc/07/02/93/388070293.db2.gz VPEIRJMWEBYONN-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN Cc1cc(C(=O)NC2CCCCC2)c(C)o1 ZINC000006069853 177775253 /nfs/dbraw/zinc/77/52/53/177775253.db2.gz OYRIKLVYHTWHCZ-UHFFFAOYSA-N 0 0 221.300 2.959 50 0 BFAARN Cc1cc(C(=O)Nc2nccs2)cs1 ZINC000013330559 388129688 /nfs/dbraw/zinc/12/96/88/388129688.db2.gz MIHTZWWXAHEISP-UHFFFAOYSA-N 0 0 224.310 2.765 50 0 BFAARN Cc1nnc(C2(c3ccc(C)cc3)CC2)[nH]1 ZINC000065371492 388259543 /nfs/dbraw/zinc/25/95/43/388259543.db2.gz LVRPOHMVZONXLG-UHFFFAOYSA-N 0 0 213.284 2.501 50 0 BFAARN FC(F)(F)c1cccc(-c2cncnc2)n1 ZINC000065405891 388292969 /nfs/dbraw/zinc/29/29/69/388292969.db2.gz ALNRXCMBMHEQED-UHFFFAOYSA-N 0 0 225.173 2.557 50 0 BFAARN CC(=O)Oc1cc(F)cc(Br)c1 ZINC000114814095 256591194 /nfs/dbraw/zinc/59/11/94/256591194.db2.gz SGUIVYFPXKKWBY-UHFFFAOYSA-N 0 0 233.036 2.514 50 0 BFAARN Cc1occc1SCCn1ccnc1 ZINC000131371597 388344972 /nfs/dbraw/zinc/34/49/72/388344972.db2.gz DHTSYHSXCULVIC-UHFFFAOYSA-N 0 0 208.286 2.577 50 0 BFAARN CC(C)c1noc([C@@H]2CCC(=O)C[C@H]2C)n1 ZINC000162579565 388354264 /nfs/dbraw/zinc/35/42/64/388354264.db2.gz BJTDUZVYEIXDIB-PSASIEDQSA-N 0 0 222.288 2.666 50 0 BFAARN CC(C)c1noc([C@H]2CCC(=O)C[C@H]2C)n1 ZINC000162579309 388354382 /nfs/dbraw/zinc/35/43/82/388354382.db2.gz BJTDUZVYEIXDIB-SCZZXKLOSA-N 0 0 222.288 2.666 50 0 BFAARN Cc1ccc(SCCn2ccnc2)cc1 ZINC000089639268 388357407 /nfs/dbraw/zinc/35/74/07/388357407.db2.gz GPTOTNKCCMYOOS-UHFFFAOYSA-N 0 0 218.325 2.984 50 0 BFAARN C[C@H](Cc1ccc(F)cc1)Nc1cnn(C)c1 ZINC000132485706 388360112 /nfs/dbraw/zinc/36/01/12/388360112.db2.gz GNEWFXZUJMDKTP-SNVBAGLBSA-N 0 0 233.290 2.602 50 0 BFAARN CCCCC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000067092252 388405050 /nfs/dbraw/zinc/40/50/50/388405050.db2.gz MEKBJIIOPYRKCD-STQMWFEESA-N 0 0 235.302 2.988 50 0 BFAARN CC[NH+](CC)CC(C)N=Nc1ccccc1 ZINC000254823456 388370761 /nfs/dbraw/zinc/37/07/61/388370761.db2.gz SHBRHXIRAAZLAA-UHFFFAOYSA-N 0 0 219.332 2.816 50 0 BFAARN CCCC(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000089949363 388375179 /nfs/dbraw/zinc/37/51/79/388375179.db2.gz OVNFRTNHSNUWSR-CQSZACIVSA-N 0 0 246.354 2.890 50 0 BFAARN C[C@H](NC(=O)c1c(O)cccc1F)c1ccco1 ZINC000163638130 388382533 /nfs/dbraw/zinc/38/25/33/388382533.db2.gz RMRAUVYKVJFXTK-QMMMGPOBSA-N 0 0 249.241 2.615 50 0 BFAARN CCN(CC)C(=O)c1oc2ccccc2c1OC ZINC000252508729 388384410 /nfs/dbraw/zinc/38/44/10/388384410.db2.gz XRXDWLJLSMEUQK-UHFFFAOYSA-N 0 0 247.294 2.923 50 0 BFAARN Cc1cc2c(c(C)c1)C(=O)N(C(C)C)C2 ZINC000067351061 388406092 /nfs/dbraw/zinc/40/60/92/388406092.db2.gz JIIDTTCUWPCFBG-UHFFFAOYSA-N 0 0 203.285 2.668 50 0 BFAARN Cc1nnc([C@@H](C)Oc2ccccc2F)o1 ZINC000071849900 388445888 /nfs/dbraw/zinc/44/58/88/388445888.db2.gz YDYOLBCZUHTOQZ-SSDOTTSWSA-N 0 0 222.219 2.657 50 0 BFAARN C[C@@H](NC(=O)/C=C/c1cccc(F)c1)C1CC1 ZINC000008704087 388407749 /nfs/dbraw/zinc/40/77/49/388407749.db2.gz CMDPYFDXJATNOQ-VHODGJRUSA-N 0 0 233.286 2.754 50 0 BFAARN CSc1ccc(OCCn2ccnc2)cc1 ZINC000076423037 388408579 /nfs/dbraw/zinc/40/85/79/388408579.db2.gz GEXCSQWONHKXGE-UHFFFAOYSA-N 0 0 234.324 2.684 50 0 BFAARN Cc1noc(C)c1C(=O)N1CCC[C@H](C)CC1 ZINC000068782247 388410850 /nfs/dbraw/zinc/41/08/50/388410850.db2.gz MEGOKIMJGBCBPG-VIFPVBQESA-N 0 0 236.315 2.554 50 0 BFAARN O=C(C1CCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040462019 388416506 /nfs/dbraw/zinc/41/65/06/388416506.db2.gz DHKLTQFWDJEOMD-SECBINFHSA-N 0 0 235.249 2.587 50 0 BFAARN CCN(CC)c1cc(-c2ccccc2)ncn1 ZINC000001018259 388420230 /nfs/dbraw/zinc/42/02/30/388420230.db2.gz UPMYFVHCENBMCM-UHFFFAOYSA-N 0 0 227.311 2.990 50 0 BFAARN CC/C=C(/C)C(=O)NCCc1cccc(OC)c1 ZINC000040541046 388420576 /nfs/dbraw/zinc/42/05/76/388420576.db2.gz YHOIXYZAUACSNA-SDQBBNPISA-N 0 0 247.338 2.710 50 0 BFAARN Cc1cc(C)c(C)c(S[C@H](C)C(N)=O)c1C ZINC000009377553 388431728 /nfs/dbraw/zinc/43/17/28/388431728.db2.gz CBZZZKKEFFKJRY-LLVKDONJSA-N 0 0 237.368 2.886 50 0 BFAARN O=C(Nc1nccs1)c1ccc2c(c1)CCC2 ZINC000009450354 388435038 /nfs/dbraw/zinc/43/50/38/388435038.db2.gz GSPMEVKXNDSZRL-UHFFFAOYSA-N 0 0 244.319 2.884 50 0 BFAARN CCc1ccc([C@@H](C)NC(=O)[C@H]2CCCO2)cc1 ZINC000006698188 388523375 /nfs/dbraw/zinc/52/33/75/388523375.db2.gz CRKWRKJYTWXEFR-BXUZGUMPSA-N 0 0 247.338 2.605 50 0 BFAARN COC1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC000186289997 388599315 /nfs/dbraw/zinc/59/93/15/388599315.db2.gz HJGNGAKLFWSBBC-UHFFFAOYSA-N 0 0 243.347 2.860 50 0 BFAARN CCC1(CC)Cc2ccccc2C(=O)N1 ZINC000000218584 388610818 /nfs/dbraw/zinc/61/08/18/388610818.db2.gz QQWIGIUAHJECSB-UHFFFAOYSA-N 0 0 203.285 2.531 50 0 BFAARN CNc1nc(-c2cc(F)ccc2OC)cs1 ZINC000007844398 388584826 /nfs/dbraw/zinc/58/48/26/388584826.db2.gz YZSLHNWQIXPSIB-UHFFFAOYSA-N 0 0 238.287 3.000 50 0 BFAARN O=C(c1ccc[nH]1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114434789 388681994 /nfs/dbraw/zinc/68/19/94/388681994.db2.gz DCJGBNVBOKZDNH-OAHLLOKOSA-N 0 0 244.338 2.977 50 0 BFAARN COCc1cc(CNc2ccccn2)ccc1F ZINC000301176268 388652739 /nfs/dbraw/zinc/65/27/39/388652739.db2.gz GEZZKHDATNSQGU-UHFFFAOYSA-N 0 0 246.285 2.979 50 0 BFAARN Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@H]3C2)[nH]1 ZINC000089568584 388738060 /nfs/dbraw/zinc/73/80/60/388738060.db2.gz MDVSEXXHKZAOHL-RYUDHWBXSA-N 0 0 232.327 2.504 50 0 BFAARN Cc1cscc1C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000089708883 388739644 /nfs/dbraw/zinc/73/96/44/388739644.db2.gz AYPOOWFLIWYPRZ-GHMZBOCLSA-N 0 0 235.352 2.929 50 0 BFAARN CCC[C@H](C)Sc1ncnc2[nH]cnc21 ZINC000079001426 388742305 /nfs/dbraw/zinc/74/23/05/388742305.db2.gz UIEUTOXWKHJJCB-ZETCQYMHSA-N 0 0 222.317 2.634 50 0 BFAARN CC[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000037400535 388750899 /nfs/dbraw/zinc/75/08/99/388750899.db2.gz BHXZRKIEMZFBNT-MRVPVSSYSA-N 0 0 232.283 2.848 50 0 BFAARN c1csc([C@@H]2NCc3ccccc3N2)c1 ZINC000068708828 388715504 /nfs/dbraw/zinc/71/55/04/388715504.db2.gz MCPBTXHPLCKQIC-GFCCVEGCSA-N 0 0 216.309 2.962 50 0 BFAARN COC(=O)c1c(Cl)cc(F)cc1Cl ZINC000082046587 388723629 /nfs/dbraw/zinc/72/36/29/388723629.db2.gz OZQKPZQUPFKGIF-UHFFFAOYSA-N 0 0 223.030 2.919 50 0 BFAARN CCSc1cncc(NC2CCCC2)n1 ZINC000095957177 388793735 /nfs/dbraw/zinc/79/37/35/388793735.db2.gz SWAYLCHEYMGQDE-UHFFFAOYSA-N 0 0 223.345 2.943 50 0 BFAARN Cc1noc(-c2cccnc2NC2CCCC2)n1 ZINC000021524763 388812255 /nfs/dbraw/zinc/81/22/55/388812255.db2.gz PIJVSHHGQMUQRZ-UHFFFAOYSA-N 0 0 244.298 2.795 50 0 BFAARN CC(C)[C@@H]1CCc2ccccc2N1CCCO ZINC000095446837 388772811 /nfs/dbraw/zinc/77/28/11/388772811.db2.gz MVMNRICVSGPJMV-AWEZNQCLSA-N 0 0 233.355 2.846 50 0 BFAARN COC(=O)/C=C/c1ccc(SC)cc1 ZINC000020676745 388778695 /nfs/dbraw/zinc/77/86/95/388778695.db2.gz HMJUVXXBPJIJET-VMPITWQZSA-N 0 0 208.282 2.595 50 0 biogenic BFAARN CCCC(=O)c1ccc(C(=O)OCC)cc1 ZINC000095835926 388786689 /nfs/dbraw/zinc/78/66/89/388786689.db2.gz MEAYWIWQERYKEC-UHFFFAOYSA-N 0 0 220.268 2.846 50 0 BFAARN CCC[C@H](C)NC(=O)NC1CCCCC1 ZINC000000388933 388813127 /nfs/dbraw/zinc/81/31/27/388813127.db2.gz FJQRSEXWVWHZQL-JTQLQIEISA-N 0 0 212.337 2.807 50 0 BFAARN CSCc1ccccc1NC(=O)C1CC1 ZINC000095940174 388791737 /nfs/dbraw/zinc/79/17/37/388791737.db2.gz UVQCBOVLWAVXKN-UHFFFAOYSA-N 0 0 221.325 2.898 50 0 BFAARN O=C(/C=C\c1cccc(F)c1)NCC(F)(F)F ZINC000096305097 388814656 /nfs/dbraw/zinc/81/46/56/388814656.db2.gz PJDGRTPLEUYTNL-PLNGDYQASA-N 0 0 247.191 2.517 50 0 BFAARN CSCCCC(=O)Nc1cc(F)ccc1O ZINC000096452120 388819100 /nfs/dbraw/zinc/81/91/00/388819100.db2.gz NKIZFGKGQADBJX-UHFFFAOYSA-N 0 0 243.303 2.613 50 0 BFAARN Cc1ccsc1-c1nc(-c2cnccn2)no1 ZINC000096460646 388820439 /nfs/dbraw/zinc/82/04/39/388820439.db2.gz ACAHVPUHQDDCDI-UHFFFAOYSA-N 0 0 244.279 2.564 50 0 BFAARN Cc1cc(-c2ccccc2)nc(N(C)C)n1 ZINC000000402167 177686120 /nfs/dbraw/zinc/68/61/20/177686120.db2.gz YKAAVTHIOAJKBF-UHFFFAOYSA-N 0 0 213.284 2.518 50 0 BFAARN Cc1ccc(/C=C/C(=O)NCc2ccco2)o1 ZINC000000441761 224471716 /nfs/dbraw/zinc/47/17/16/224471716.db2.gz NYXGPFVVKMAXNO-VOTSOKGWSA-N 0 0 231.251 2.511 50 0 BFAARN Cc1ccc(C)c(CSc2nncn2C)c1 ZINC000006501645 322816139 /nfs/dbraw/zinc/81/61/39/322816139.db2.gz UXURRIPBLSRIAV-UHFFFAOYSA-N 0 0 233.340 2.724 50 0 BFAARN Cc1ccc2c(c1Br)CCC2=O ZINC000238486898 322818712 /nfs/dbraw/zinc/81/87/12/322818712.db2.gz RIWFVJCTIBYGJH-UHFFFAOYSA-N 0 0 225.085 2.886 50 0 BFAARN C/C=C(\C)CN1CCN(c2ccccc2F)CC1 ZINC000000215940 533430913 /nfs/dbraw/zinc/43/09/13/533430913.db2.gz SYPSJOXDTHZLDU-QLKAYGNNSA-N 0 0 248.345 2.914 50 0 BFAARN C[C@H]1CCCCN1c1ncc(Cl)cn1 ZINC000253472185 132303807 /nfs/dbraw/zinc/30/38/07/132303807.db2.gz JZRACGGHJRLENM-QMMMGPOBSA-N 0 0 211.696 2.509 50 0 BFAARN CC(=O)c1ccc(N2CCCCC2)cc1 ZINC000000119311 132312565 /nfs/dbraw/zinc/31/25/65/132312565.db2.gz JCMZZYSPSGHBNM-UHFFFAOYSA-N 0 0 203.285 2.880 50 0 BFAARN O=C1CN(Cc2ccccc2)c2ccccc2N1 ZINC000000226275 132313183 /nfs/dbraw/zinc/31/31/83/132313183.db2.gz BSCQZYGHGGBKLI-UHFFFAOYSA-N 0 0 238.290 2.645 50 0 in-vitro BFAARN Cc1cc(N2C[C@@H](C)O[C@H](C)C2)nc(C(C)C)n1 ZINC000004087967 132316006 /nfs/dbraw/zinc/31/60/06/132316006.db2.gz BHGVTJFROQCXLB-VXGBXAGGSA-N 0 0 249.358 2.522 50 0 BFAARN CN1c2ccccc2C(=O)N[C@H]1c1cccs1 ZINC000008744618 132319157 /nfs/dbraw/zinc/31/91/57/132319157.db2.gz HQJIQGAFQGREIW-GFCCVEGCSA-N 0 0 244.319 2.627 50 0 BFAARN Clc1nc(N2CCOCC2)cc2ccccc21 ZINC000012481131 132321390 /nfs/dbraw/zinc/32/13/90/132321390.db2.gz CCEMKUCNUCJWEN-UHFFFAOYSA-N 0 0 248.713 2.725 50 0 BFAARN C[C@@H]1CCCCN1c1ccc(N)cc1F ZINC000020135734 132330161 /nfs/dbraw/zinc/33/01/61/132330161.db2.gz RBKAJYHQGRRHKQ-SECBINFHSA-N 0 0 208.280 2.787 50 0 BFAARN O=C(c1cccs1)N1CCOc2ccccc21 ZINC000030578390 132334345 /nfs/dbraw/zinc/33/43/45/132334345.db2.gz QTZHEIVELKFZAJ-UHFFFAOYSA-N 0 0 245.303 2.787 50 0 BFAARN C[C@H]1C[C@H]1C(=O)N1CCSc2ccccc21 ZINC000032997915 132335886 /nfs/dbraw/zinc/33/58/86/132335886.db2.gz ADUTZESNAHBXLO-VHSXEESVSA-N 0 0 233.336 2.781 50 0 BFAARN CC(C)(C)OC(=O)N1C(=O)CCc2ccccc21 ZINC000038998979 132346379 /nfs/dbraw/zinc/34/63/79/132346379.db2.gz FSFHCEVCPJYOCO-UHFFFAOYSA-N 0 0 247.294 2.901 50 0 BFAARN CNc1nc(N2CCCCC2)nc2ccccc21 ZINC000041146675 132349510 /nfs/dbraw/zinc/34/95/10/132349510.db2.gz KAQTUJPEUXITRC-UHFFFAOYSA-N 0 0 242.326 2.662 50 0 BFAARN C[C@@H]1CN(C(=O)C2CCC2)c2ccccc2O1 ZINC000041306945 132350412 /nfs/dbraw/zinc/35/04/12/132350412.db2.gz YUBKTGQXTBUWGM-SNVBAGLBSA-N 0 0 231.295 2.601 50 0 BFAARN C[C@H]1CCCCN1c1cncc(Cl)n1 ZINC000042783552 132352668 /nfs/dbraw/zinc/35/26/68/132352668.db2.gz RONDOTOMBIFVEX-QMMMGPOBSA-N 0 0 211.696 2.509 50 0 BFAARN C[C@@H]1CCCN(c2cccc(Cl)n2)C1 ZINC000042783662 132352785 /nfs/dbraw/zinc/35/27/85/132352785.db2.gz QEQOPCURLFSIEM-SECBINFHSA-N 0 0 210.708 2.971 50 0 BFAARN C[C@H]1C[C@H](C)CN(c2ccnc(=S)[nH]2)C1 ZINC000045918646 132355009 /nfs/dbraw/zinc/35/50/09/132355009.db2.gz KJJQFJCLZZULMT-IUCAKERBSA-N 0 0 223.345 2.621 50 0 BFAARN CC1(C)C=CN(c2ccccc2F)C(=S)N1 ZINC000056656548 132365543 /nfs/dbraw/zinc/36/55/43/132365543.db2.gz YLACHHGMXJSXTL-UHFFFAOYSA-N 0 0 236.315 2.813 50 0 BFAARN C[C@H]1CCc2ccccc2N1C(=O)[C@@H]1CCCO1 ZINC000072495974 132396910 /nfs/dbraw/zinc/39/69/10/132396910.db2.gz KUCSYKALFJGRFM-FZMZJTMJSA-N 0 0 245.322 2.533 50 0 BFAARN OCc1ccc(CN2CCCc3ccccc32)o1 ZINC000097236362 132432622 /nfs/dbraw/zinc/43/26/22/132432622.db2.gz GWNBOJMFFMUJJE-UHFFFAOYSA-N 0 0 243.306 2.725 50 0 BFAARN CCCC(=O)N1CCOc2ccc(Cl)cc21 ZINC000062571174 132502761 /nfs/dbraw/zinc/50/27/61/132502761.db2.gz NJMKWDPZTYOFOP-UHFFFAOYSA-N 0 0 239.702 2.866 50 0 BFAARN CC(C)=C(F)c1nc(-c2cscn2)no1 ZINC000335809921 133917300 /nfs/dbraw/zinc/91/73/00/133917300.db2.gz PPYRLENJAQCGOX-UHFFFAOYSA-N 0 0 225.248 2.914 50 0 BFAARN Cc1coc(SCc2cncc(F)c2)n1 ZINC000336080613 134075170 /nfs/dbraw/zinc/07/51/70/134075170.db2.gz FHGADGJMSXNINC-UHFFFAOYSA-N 0 0 224.260 2.809 50 0 BFAARN Cc1ccc(NC(=O)N2CC(C)C2)c(F)c1 ZINC000336162485 134111456 /nfs/dbraw/zinc/11/14/56/134111456.db2.gz HSIWNAMJHVVQLS-UHFFFAOYSA-N 0 0 222.263 2.618 50 0 BFAARN CCC[C@@]1(CC)NC(=O)N(c2ccccc2C)N1 ZINC000334160943 134159938 /nfs/dbraw/zinc/15/99/38/134159938.db2.gz PJWXIABJNBJYRU-AWEZNQCLSA-N 0 0 247.342 2.936 50 0 BFAARN CCc1ccc(CN(C)Cc2coc(C)n2)nc1 ZINC000067855981 134398727 /nfs/dbraw/zinc/39/87/27/134398727.db2.gz UDTLTFVQMYUARE-UHFFFAOYSA-N 0 0 245.326 2.572 50 0 BFAARN Cc1ccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)o1 ZINC000048687319 134623533 /nfs/dbraw/zinc/62/35/33/134623533.db2.gz DLDCHCLKDLGHPD-LBPRGKRZSA-N 0 0 244.294 2.893 50 0 BFAARN O=C(NCc1cccc(C(F)F)c1)C(F)F ZINC000408514885 134809246 /nfs/dbraw/zinc/80/92/46/134809246.db2.gz GLPXCHIJDYCVOO-UHFFFAOYSA-N 0 0 235.180 2.506 50 0 BFAARN CC[C@H]1CC[C@H](C(=O)N[C@H]2CCSC2)CC1 ZINC000408514299 134809262 /nfs/dbraw/zinc/80/92/62/134809262.db2.gz KGRDWAJFHJHSET-SRVKXCTJSA-N 0 0 241.400 2.825 50 0 BFAARN C[C@@H]1CN(C(=O)C2CCCC2)C[C@@H](C)S1 ZINC000080949763 135384479 /nfs/dbraw/zinc/38/44/79/135384479.db2.gz PWKVBMXYNYNRHT-NXEZZACHSA-N 0 0 227.373 2.529 50 0 BFAARN CC[C@@H]1CCCN(C(=O)C2CC=CC2)CC1 ZINC000095400125 135626021 /nfs/dbraw/zinc/62/60/21/135626021.db2.gz RFGJWBADZZMGKK-GFCCVEGCSA-N 0 0 221.344 2.991 50 0 BFAARN CC[C@@H](C)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000335336421 136055962 /nfs/dbraw/zinc/05/59/62/136055962.db2.gz JDQTUJAOSGIAIM-BDAKNGLRSA-N 0 0 219.275 2.727 50 0 BFAARN CCCCNC(=O)Cc1sc(=S)[nH]c1C ZINC000009218464 397803117 /nfs/dbraw/zinc/80/31/17/397803117.db2.gz ZSQFOAIYPPSQMF-UHFFFAOYSA-N 0 0 244.385 2.573 50 0 BFAARN Cc1ccc(C(=O)NCCc2cccs2)o1 ZINC000036661053 397962008 /nfs/dbraw/zinc/96/20/08/397962008.db2.gz JQGKJIFMMMUGBL-UHFFFAOYSA-N 0 0 235.308 2.622 50 0 BFAARN CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000020490577 397910417 /nfs/dbraw/zinc/91/04/17/397910417.db2.gz YEZMVKXWLNSARK-ZDUSSCGKSA-N 0 0 205.301 2.910 50 0 BFAARN CC[C@@H]1Nc2ccccc2[C@H]2OCC[C@@H]21 ZINC000238278803 397920760 /nfs/dbraw/zinc/92/07/60/397920760.db2.gz GUSGKWWFAZQHTF-NTZNESFSSA-N 0 0 203.285 2.968 50 0 BFAARN C[C@@H](NC(=O)c1cccs1)c1ccccn1 ZINC000028781355 397991809 /nfs/dbraw/zinc/99/18/09/397991809.db2.gz TXAISZHPLNMGPR-SECBINFHSA-N 0 0 232.308 2.634 50 0 BFAARN O=C(CCCc1cccs1)NCc1ccco1 ZINC000040459296 398044493 /nfs/dbraw/zinc/04/44/93/398044493.db2.gz FNDJMGACPAJMFK-UHFFFAOYSA-N 0 0 249.335 2.980 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)CCc2ccco2)o1 ZINC000023306992 397978469 /nfs/dbraw/zinc/97/84/69/397978469.db2.gz MVMPNZAIKJATJD-NSHDSACASA-N 0 0 247.294 2.991 50 0 BFAARN CSCC(=O)Nc1cccc2cccnc21 ZINC000013019814 398073568 /nfs/dbraw/zinc/07/35/68/398073568.db2.gz RFOWLDNGVCXPRA-UHFFFAOYSA-N 0 0 232.308 2.536 50 0 BFAARN CCSC(=S)n1cnc2ccccc21 ZINC000012542633 398078840 /nfs/dbraw/zinc/07/88/40/398078840.db2.gz KFIJLNHRLTWSHF-UHFFFAOYSA-N 0 0 222.338 2.922 50 0 BFAARN COc1ncc(Cl)cc1OC(C)C ZINC000065337505 398083396 /nfs/dbraw/zinc/08/33/96/398083396.db2.gz CZRIAFWTSZSAGR-UHFFFAOYSA-N 0 0 201.653 2.531 50 0 BFAARN COc1cc(Cl)cc(Br)c1N ZINC000065336885 398083403 /nfs/dbraw/zinc/08/34/03/398083403.db2.gz MGKYQHLQSQZRCS-UHFFFAOYSA-N 0 0 236.496 2.693 50 0 BFAARN Fc1c(Cl)nc(C2CC2)nc1Cl ZINC000066323425 398090970 /nfs/dbraw/zinc/09/09/70/398090970.db2.gz IWEYDOPVUWBPGT-UHFFFAOYSA-N 0 0 207.035 2.800 50 0 BFAARN CC(C)CNc1ccc(C(N)=O)c(Cl)c1 ZINC000037121238 167016041 /nfs/dbraw/zinc/01/60/41/167016041.db2.gz PLPVJQOKIPGXBL-UHFFFAOYSA-N 0 0 226.707 2.507 50 0 BFAARN CCn1c(C)nc2cncc(Br)c21 ZINC000096311287 172138198 /nfs/dbraw/zinc/13/81/98/172138198.db2.gz LHYFNIBHNQBMRJ-UHFFFAOYSA-N 0 0 240.104 2.522 50 0 BFAARN COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000006020210 173788932 /nfs/dbraw/zinc/78/89/32/173788932.db2.gz SCHCPDWDIOTCMJ-LURJTMIESA-N 0 0 249.093 2.934 50 0 BFAARN CC(C)Nc1cc(Br)ccn1 ZINC000065337558 167142777 /nfs/dbraw/zinc/14/27/77/167142777.db2.gz NTYQEWSDJNVKAY-UHFFFAOYSA-N 0 0 215.094 2.664 50 0 BFAARN C[C@@H](SCC1CCCCCC1)C(N)=O ZINC000097115490 176008430 /nfs/dbraw/zinc/00/84/30/176008430.db2.gz ZRWCSNJRWGGCKB-SECBINFHSA-N 0 0 215.362 2.564 50 0 BFAARN Cc1cc(Br)cc(Cl)c1N ZINC000005227618 177722935 /nfs/dbraw/zinc/72/29/35/177722935.db2.gz DIXGIKZIIZRFKE-UHFFFAOYSA-N 0 0 220.497 2.993 50 0 BFAARN CC(C)OCCC[S@](=O)c1cccc(F)c1 ZINC000195579611 167225265 /nfs/dbraw/zinc/22/52/65/167225265.db2.gz LBLLTYGNWYNOEJ-INIZCTEOSA-N 0 0 244.331 2.748 50 0 BFAARN CC(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000086639 167319253 /nfs/dbraw/zinc/31/92/53/167319253.db2.gz ZKVPUWNTECRZSQ-UHFFFAOYSA-N 0 0 218.705 2.522 50 0 BFAARN Cn1ncnc1CSCCCc1ccccc1 ZINC000096430192 409985194 /nfs/dbraw/zinc/98/51/94/409985194.db2.gz PKOGLGWYLQGTFT-UHFFFAOYSA-N 0 0 247.367 2.681 50 0 BFAARN Brc1ccc2c(c1)CCCO2 ZINC000021299196 166098964 /nfs/dbraw/zinc/09/89/64/166098964.db2.gz KPFDABVKWKOIME-UHFFFAOYSA-N 0 0 213.074 2.774 50 0 BFAARN Brc1ccc2ncccc2c1 ZINC000000078186 166099050 /nfs/dbraw/zinc/09/90/50/166099050.db2.gz IFIHYLCUKYCKRH-UHFFFAOYSA-N 0 0 208.058 2.997 50 0 in-vitro BFAARN CCN(C(=O)[C@@H](C)OCC1CC1)C1CCCC1 ZINC000119614989 410138591 /nfs/dbraw/zinc/13/85/91/410138591.db2.gz LJNDZDNEABVVLU-LLVKDONJSA-N 0 0 239.359 2.593 50 0 BFAARN Brc1cccc(-n2cccn2)c1 ZINC000004200668 166101478 /nfs/dbraw/zinc/10/14/78/166101478.db2.gz KUWAIOZTKMAIPI-UHFFFAOYSA-N 0 0 223.073 2.635 50 0 BFAARN Brc1cccc2ccncc12 ZINC000002540586 166101762 /nfs/dbraw/zinc/10/17/62/166101762.db2.gz DPRIHFQFWWCIGY-UHFFFAOYSA-N 0 0 208.058 2.997 50 0 in-vitro BFAARN Brc1cccc2c1[C@H]1C[C@H]1CN2 ZINC000091692570 166102095 /nfs/dbraw/zinc/10/20/95/166102095.db2.gz OOPYDFSMULRLQF-BQBZGAKWSA-N 0 0 224.101 2.978 50 0 BFAARN Brc1ccnc2ccccc12 ZINC000008700531 166102658 /nfs/dbraw/zinc/10/26/58/166102658.db2.gz SUXIPCHEUMEUSV-UHFFFAOYSA-N 0 0 208.058 2.997 50 0 BFAARN Brc1ccccc1Cn1ccnc1 ZINC000039438756 166103021 /nfs/dbraw/zinc/10/30/21/166103021.db2.gz OXQPWBLBKUIDOU-UHFFFAOYSA-N 0 0 237.100 2.694 50 0 BFAARN Brc1ccccc1-n1cccn1 ZINC000004277300 166103196 /nfs/dbraw/zinc/10/31/96/166103196.db2.gz QNDJHGODPWAKAO-UHFFFAOYSA-N 0 0 223.073 2.635 50 0 BFAARN Brc1ccsc1-c1nnco1 ZINC000072266202 166103257 /nfs/dbraw/zinc/10/32/57/166103257.db2.gz HINIUHQAZXOEKA-UHFFFAOYSA-N 0 0 231.074 2.561 50 0 BFAARN Brc1cnc2c(c1)CCCC2 ZINC000071260707 166104517 /nfs/dbraw/zinc/10/45/17/166104517.db2.gz FKERWWYCYWMBHC-UHFFFAOYSA-N 0 0 212.090 2.723 50 0 BFAARN Brc1cnn(-c2ccccc2)c1 ZINC000000284529 166106626 /nfs/dbraw/zinc/10/66/26/166106626.db2.gz DWPRPWBNLNTEFZ-UHFFFAOYSA-N 0 0 223.073 2.635 50 0 BFAARN Brc1cncc2c1CCCC2 ZINC000015042117 166106907 /nfs/dbraw/zinc/10/69/07/166106907.db2.gz PUMLCNFYVSGGIU-UHFFFAOYSA-N 0 0 212.090 2.723 50 0 BFAARN CCN(CC)C(=O)CCCOc1ccccc1 ZINC000002743455 169746051 /nfs/dbraw/zinc/74/60/51/169746051.db2.gz AGYAYYJCNGHWHY-UHFFFAOYSA-N 0 0 235.327 2.714 50 0 BFAARN C[C@@H](NC=O)c1ccc(Cl)c(Cl)c1 ZINC000000295702 410453906 /nfs/dbraw/zinc/45/39/06/410453906.db2.gz OSRXSVSFUBKRNV-ZCFIWIBFSA-N 0 0 218.083 2.800 50 0 BFAARN CCN(CC)C(=O)[C@H](C)Oc1cc(C)cc(C)c1 ZINC000008041496 169758624 /nfs/dbraw/zinc/75/86/24/169758624.db2.gz HYSNVZWHTNVPNT-ZDUSSCGKSA-N 0 0 249.354 2.939 50 0 BFAARN CC(=O)c1c[nH]c(C(=O)NC2CCCCCC2)c1 ZINC000001396098 166438088 /nfs/dbraw/zinc/43/80/88/166438088.db2.gz HAHGEYFRQNGRPD-UHFFFAOYSA-N 0 0 248.326 2.670 50 0 BFAARN CCN(CC)C(=O)c1cccc(Cl)c1 ZINC000000126194 169761055 /nfs/dbraw/zinc/76/10/55/169761055.db2.gz ZWTKSSXSNVYXII-UHFFFAOYSA-N 0 0 211.692 2.822 50 0 BFAARN CC(=O)c1cc(F)c(N2CCCC2)cc1C ZINC000000052949 166445462 /nfs/dbraw/zinc/44/54/62/166445462.db2.gz KJOYRYZFLLUEJE-UHFFFAOYSA-N 0 0 221.275 2.937 50 0 BFAARN CC(C)(C)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000024012936 166526258 /nfs/dbraw/zinc/52/62/58/166526258.db2.gz SYEKUVWIBUDQBX-ZDUSSCGKSA-N 0 0 247.338 2.633 50 0 BFAARN CC(C)(C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000000247103 166528666 /nfs/dbraw/zinc/52/86/66/166528666.db2.gz SLRWECGOKGKXRS-UHFFFAOYSA-N 0 0 235.371 2.973 50 0 BFAARN CC(C)(C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000000051337 166529199 /nfs/dbraw/zinc/52/91/99/166529199.db2.gz KVMLEEWOKYGSEL-UHFFFAOYSA-N 0 0 244.338 2.873 50 0 BFAARN CC(C)(C)CC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000089642986 166546348 /nfs/dbraw/zinc/54/63/48/166546348.db2.gz LVESTZPYPQUMEJ-LLVKDONJSA-N 0 0 249.358 2.552 50 0 BFAARN CC(C)(C)OC(=O)N1CC[C@@H](c2ccncc2)C1 ZINC000095802916 166651662 /nfs/dbraw/zinc/65/16/62/166651662.db2.gz LOTBGBMAQSVUKN-GFCCVEGCSA-N 0 0 248.326 2.806 50 0 BFAARN CC(C)(C)OC(=O)N[C@@H]1CC(=O)c2ccccc21 ZINC000095347708 166665973 /nfs/dbraw/zinc/66/59/73/166665973.db2.gz CQKDQPYPULKMBT-LLVKDONJSA-N 0 0 247.294 2.839 50 0 BFAARN CC(C)CC(=O)Nc1onc2c1C[C@@H](C)CC2 ZINC000011916768 166773734 /nfs/dbraw/zinc/77/37/34/166773734.db2.gz GWHUCUSJIVMXBI-VIFPVBQESA-N 0 0 236.315 2.784 50 0 BFAARN CC(C)CNC(=O)c1cc2ccccc2o1 ZINC000006702507 166996428 /nfs/dbraw/zinc/99/64/28/166996428.db2.gz DXKGFEVQQLRWBF-UHFFFAOYSA-N 0 0 217.268 2.819 50 0 BFAARN CC(C)CNC(=O)c1cn(C)c2ccccc12 ZINC000020901395 167000755 /nfs/dbraw/zinc/00/07/55/167000755.db2.gz JXIRXRYYVVDLET-UHFFFAOYSA-N 0 0 230.311 2.564 50 0 BFAARN CC(C)NC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000041510453 167036837 /nfs/dbraw/zinc/03/68/37/167036837.db2.gz QMMKMOGZKQUHMM-UHFFFAOYSA-N 0 0 235.302 2.772 50 0 BFAARN CC(C)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000003897138 167071474 /nfs/dbraw/zinc/07/14/74/167071474.db2.gz MVNJEUHILQOLJQ-UHFFFAOYSA-N 0 0 236.359 2.663 50 0 BFAARN CC(C)NC(=O)Nc1nc2ccccc2s1 ZINC000006364693 167079878 /nfs/dbraw/zinc/07/98/78/167079878.db2.gz NCJRWSQYSLEKEI-UHFFFAOYSA-N 0 0 235.312 2.826 50 0 BFAARN CC(C)NC(=O)c1ccc2ccccc2c1 ZINC000000455415 167088373 /nfs/dbraw/zinc/08/83/73/167088373.db2.gz QMXNKTCOIVKLQA-UHFFFAOYSA-N 0 0 213.280 2.978 50 0 BFAARN CC(C)[NH2+]C[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000095704830 167108887 /nfs/dbraw/zinc/10/88/87/167108887.db2.gz FICHVKVITNUZFD-LLVKDONJSA-N 0 0 241.718 2.506 50 0 BFAARN CC(C)OC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000005384021 167172182 /nfs/dbraw/zinc/17/21/82/167172182.db2.gz WMQPTRVDQDLODU-UHFFFAOYSA-N 0 0 249.310 2.846 50 0 BFAARN CC(C)Oc1cc(Br)ccn1 ZINC000044118400 167285040 /nfs/dbraw/zinc/28/50/40/167285040.db2.gz DGDIOQCZNZMIPA-UHFFFAOYSA-N 0 0 216.078 2.631 50 0 BFAARN CC(C)Oc1cc(CNc2ccccn2)ccn1 ZINC000195575582 167286045 /nfs/dbraw/zinc/28/60/45/167286045.db2.gz DQKSYCUYACJBIQ-UHFFFAOYSA-N 0 0 243.310 2.876 50 0 BFAARN CC(C)Oc1ccc(C(=O)c2ncco2)cc1 ZINC000085651143 167292918 /nfs/dbraw/zinc/29/29/18/167292918.db2.gz MUHDJKULAXYJHS-UHFFFAOYSA-N 0 0 231.251 2.693 50 0 BFAARN CC(C)Oc1cccc(C(=O)Nc2ccon2)c1 ZINC000012382804 167303693 /nfs/dbraw/zinc/30/36/93/167303693.db2.gz UGEGTWFGNYJMJM-UHFFFAOYSA-N 0 0 246.266 2.714 50 0 BFAARN CC(C)Oc1cccc(COc2cnn(C)c2)c1 ZINC000193530295 167305757 /nfs/dbraw/zinc/30/57/57/167305757.db2.gz LSSNCSIIIJFBDT-UHFFFAOYSA-N 0 0 246.310 2.786 50 0 BFAARN CC(C)S[C@@H](C)C(=O)NCc1cccs1 ZINC000084622352 167335328 /nfs/dbraw/zinc/33/53/28/167335328.db2.gz SUGVWXYPUSNHLV-VIFPVBQESA-N 0 0 243.397 2.894 50 0 BFAARN CC(C)Sc1nnc(NC(=O)C(C)C)s1 ZINC000004086550 167338069 /nfs/dbraw/zinc/33/80/69/167338069.db2.gz CMDUBGJTYGFTIP-UHFFFAOYSA-N 0 0 245.373 2.633 50 0 BFAARN CC(C)Sc1n[nH]c(-c2ccccc2)n1 ZINC000009112938 167338079 /nfs/dbraw/zinc/33/80/79/167338079.db2.gz FIJVPDMPXAIUSD-UHFFFAOYSA-N 0 0 219.313 2.972 50 0 BFAARN CC(C)Sc1nncn1-c1ccccc1 ZINC000065577476 167339315 /nfs/dbraw/zinc/33/93/15/167339315.db2.gz QLZAVHZSQCYRCM-UHFFFAOYSA-N 0 0 219.313 2.768 50 0 BFAARN CC(C)c1ccc(NCC(=O)N2CCCC2)cc1 ZINC000057211718 167604443 /nfs/dbraw/zinc/60/44/43/167604443.db2.gz KMJQMXUFDNIFIH-UHFFFAOYSA-N 0 0 246.354 2.844 50 0 BFAARN CC(C)c1ccc(Nc2cc(=O)[nH]n2C)cc1 ZINC000000164509 167607349 /nfs/dbraw/zinc/60/73/49/167607349.db2.gz STIRLYMAINQMBC-UHFFFAOYSA-N 0 0 231.299 2.580 50 0 BFAARN CC(C)c1ccccc1O[C@@H](C)C(=O)NC1CC1 ZINC000044903460 167642276 /nfs/dbraw/zinc/64/22/76/167642276.db2.gz CFXHFYOKEYIILZ-NSHDSACASA-N 0 0 247.338 2.856 50 0 BFAARN CONC(=O)N(C)Cc1ccc2ccccc2c1 ZINC000045037377 411143621 /nfs/dbraw/zinc/14/36/21/411143621.db2.gz LWGWOCZLKKLIRB-UHFFFAOYSA-N 0 0 244.294 2.543 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000045601102 411147529 /nfs/dbraw/zinc/14/75/29/411147529.db2.gz REHCTCPTSJTQMA-BXKDBHETSA-N 0 0 237.730 2.655 50 0 BFAARN CC(C)C[C@H](C)N(C)Cc1nc(C2CC2)no1 ZINC000045770123 411148873 /nfs/dbraw/zinc/14/88/73/411148873.db2.gz XOOJOFULJRBKGM-JTQLQIEISA-N 0 0 237.347 2.813 50 0 BFAARN CCCc1noc(CN(C)[C@H](C)CC(C)C)n1 ZINC000045823328 411149186 /nfs/dbraw/zinc/14/91/86/411149186.db2.gz YOZXGDPFLHVCNG-LLVKDONJSA-N 0 0 239.363 2.889 50 0 BFAARN Clc1ccc2nncc(N3CCCC3)c2c1 ZINC000046087302 411156659 /nfs/dbraw/zinc/15/66/59/411156659.db2.gz QFTBQHJJMCDXSU-UHFFFAOYSA-N 0 0 233.702 2.883 50 0 BFAARN CC(C)c1ncc(NC(=O)C2CC=CC2)cn1 ZINC000279905165 167685309 /nfs/dbraw/zinc/68/53/09/167685309.db2.gz JGYYAWYDEUCCMZ-UHFFFAOYSA-N 0 0 231.299 2.505 50 0 BFAARN Cn1cccc1-c1csc(-c2cnccn2)n1 ZINC000048640694 411207998 /nfs/dbraw/zinc/20/79/98/411207998.db2.gz WFUSEXQDBWSAJJ-UHFFFAOYSA-N 0 0 242.307 2.606 50 0 BFAARN CC(C)[C@@H]1CCCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC000049095496 411225144 /nfs/dbraw/zinc/22/51/44/411225144.db2.gz CQDHPBSHFRJTCQ-ZDUSSCGKSA-N 0 0 247.342 2.548 50 0 BFAARN C[C@H](CC(=O)Nc1cc[nH]n1)c1ccc(F)cc1 ZINC000049449499 411236056 /nfs/dbraw/zinc/23/60/56/411236056.db2.gz LZVJUWYYNUZCQJ-SECBINFHSA-N 0 0 247.273 2.681 50 0 BFAARN CC/C=C(/C)C(=O)NCCc1ccc(OC)cc1 ZINC000058306045 167827266 /nfs/dbraw/zinc/82/72/66/167827266.db2.gz NWFKRDHKNRDTIA-XGICHPGQSA-N 0 0 247.338 2.710 50 0 BFAARN CC/C=C(/C)C(=O)NCCc1ccccc1OC ZINC000058306127 167827506 /nfs/dbraw/zinc/82/75/06/167827506.db2.gz JCPLYXGONITWCD-GHXNOFRVSA-N 0 0 247.338 2.710 50 0 BFAARN Cc1[nH]nc(C(C)C)c1-c1cccnc1 ZINC000426739095 411281716 /nfs/dbraw/zinc/28/17/16/411281716.db2.gz SCTJURAZVZZDEJ-UHFFFAOYSA-N 0 0 201.273 2.904 50 0 BFAARN CC1(C)C(C(=O)Nc2nccs2)C1(C)C ZINC000000126450 167879131 /nfs/dbraw/zinc/87/91/31/167879131.db2.gz IBLIJDZOQZPCSP-UHFFFAOYSA-N 0 0 224.329 2.764 50 0 BFAARN CC1(C)COCN1C(=O)c1ccc(Cl)cc1 ZINC000004108415 167971683 /nfs/dbraw/zinc/97/16/83/167971683.db2.gz WHCLWNFYRNVSMP-UHFFFAOYSA-N 0 0 239.702 2.549 50 0 BFAARN CC1(c2nnc(-c3ccccc3)o2)CCOCC1 ZINC000071889756 168073926 /nfs/dbraw/zinc/07/39/26/168073926.db2.gz CWDSKNUFSNFSJA-UHFFFAOYSA-N 0 0 244.294 2.805 50 0 BFAARN CC1=C(C)C(=O)N(c2cc(C)c(C)cc2C)C1=O ZINC000000071368 168079818 /nfs/dbraw/zinc/07/98/18/168079818.db2.gz QNGOYFVLOQVTSD-UHFFFAOYSA-N 0 0 243.306 2.821 50 0 BFAARN CC1=C(c2nc3ccccc3o2)CC(=O)O1 ZINC000009664703 168090352 /nfs/dbraw/zinc/09/03/52/168090352.db2.gz QTDPBMLBWOODIE-UHFFFAOYSA-N 0 0 215.208 2.506 50 0 BFAARN CC1=CC[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000000099503 168119909 /nfs/dbraw/zinc/11/99/09/168119909.db2.gz ASZMUCNZOBZRBK-STQMWFEESA-N 0 0 241.290 2.532 50 0 BFAARN CC1=CC[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 ZINC000018182104 168121704 /nfs/dbraw/zinc/12/17/04/168121704.db2.gz LLSPPAAEVAOBTN-OLZOCXBDSA-N 0 0 247.338 2.660 50 0 BFAARN CC1=C[C@H](C)C2(COC(C)OC2)[C@@H](C)C1 ZINC000000517783 168126526 /nfs/dbraw/zinc/12/65/26/168126526.db2.gz BAYLCXARJZNKOL-ZSVAQUKISA-N 0 0 210.317 2.988 50 0 biogenic BFAARN CC1CCC(N(C)C(=O)c2ccoc2)CC1 ZINC000032845414 168158325 /nfs/dbraw/zinc/15/83/25/168158325.db2.gz NXODQYWTOLUFJK-UHFFFAOYSA-N 0 0 221.300 2.930 50 0 BFAARN CC1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000032747786 168171771 /nfs/dbraw/zinc/17/17/71/168171771.db2.gz FBZBUHRDXGOXNO-GFCCVEGCSA-N 0 0 207.317 2.601 50 0 BFAARN CC1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000032819397 168176446 /nfs/dbraw/zinc/17/64/46/168176446.db2.gz SJQHXZWTTZSVSD-LBPRGKRZSA-N 0 0 207.317 2.601 50 0 BFAARN CCC(=O)N1CCc2sccc2[C@@H]1CC ZINC000032781320 168225310 /nfs/dbraw/zinc/22/53/10/168225310.db2.gz CHLIPEXJEHNWDH-JTQLQIEISA-N 0 0 223.341 2.994 50 0 BFAARN CCC(=O)NCCCc1ccc(Cl)cc1 ZINC000069348352 168229130 /nfs/dbraw/zinc/22/91/30/168229130.db2.gz HBZSSZJRFDQMFN-UHFFFAOYSA-N 0 0 225.719 2.799 50 0 BFAARN CCC(=O)NCCSc1ccc(C)cc1 ZINC000032190466 168230213 /nfs/dbraw/zinc/23/02/13/168230213.db2.gz PGQPABUDWJJDLT-UHFFFAOYSA-N 0 0 223.341 2.613 50 0 BFAARN CCC(=O)NCc1nc2ccccc2n1C(C)C ZINC000002721252 168234535 /nfs/dbraw/zinc/23/45/35/168234535.db2.gz WSTCJDVCOWUQJM-UHFFFAOYSA-N 0 0 245.326 2.643 50 0 BFAARN CCC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000065542103 168239973 /nfs/dbraw/zinc/23/99/73/168239973.db2.gz XFCFEJUVTXRENV-OAHLLOKOSA-N 0 0 240.306 2.697 50 0 BFAARN CCC(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000004003473 168241355 /nfs/dbraw/zinc/24/13/55/168241355.db2.gz AHGYNPDGONVWAO-UHFFFAOYSA-N 0 0 244.338 2.798 50 0 BFAARN CCC(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000012853322 168241886 /nfs/dbraw/zinc/24/18/86/168241886.db2.gz PGIIZWLKWYZXRB-JTQLQIEISA-N 0 0 239.315 2.889 50 0 BFAARN CCC(=O)Nc1ccc(-c2ccc(CO)o2)cc1 ZINC000020136493 168242811 /nfs/dbraw/zinc/24/28/11/168242811.db2.gz JVASYHLXTVYJGP-UHFFFAOYSA-N 0 0 245.278 2.787 50 0 BFAARN CCC(=O)Nc1ccc(-c2csc(N)n2)cc1 ZINC000000474314 168243087 /nfs/dbraw/zinc/24/30/87/168243087.db2.gz GEEFIJBVKKXOLU-UHFFFAOYSA-N 0 0 247.323 2.741 50 0 BFAARN CCC(=O)Nc1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000012986014 168245365 /nfs/dbraw/zinc/24/53/65/168245365.db2.gz GKJVJRTYFDTSCO-CABZTGNLSA-N 0 0 246.310 2.630 50 0 BFAARN CCC(=O)Nc1cccc(Br)c1 ZINC000000316151 168245595 /nfs/dbraw/zinc/24/55/95/168245595.db2.gz KXAFJAVWDBLEAM-UHFFFAOYSA-N 0 0 228.089 2.798 50 0 BFAARN CCC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000020116497 168245946 /nfs/dbraw/zinc/24/59/46/168245946.db2.gz FCLRAUBIPJAJPY-UHFFFAOYSA-N 0 0 248.326 2.563 50 0 BFAARN CCC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000012986013 168246227 /nfs/dbraw/zinc/24/62/27/168246227.db2.gz GKJVJRTYFDTSCO-JOYOIKCWSA-N 0 0 246.310 2.630 50 0 BFAARN CCC(=O)Nc1ccnc(C(C)(C)C)c1 ZINC000041532024 168246667 /nfs/dbraw/zinc/24/66/67/168246667.db2.gz UGNSLYGHXIXOSO-UHFFFAOYSA-N 0 0 206.289 2.728 50 0 BFAARN CCC(=O)Nc1nc2ccc(OC)cc2s1 ZINC000000118137 168248355 /nfs/dbraw/zinc/24/83/55/168248355.db2.gz UAVSMPZIKNDTLX-UHFFFAOYSA-N 0 0 236.296 2.653 50 0 BFAARN CCC(=O)Oc1ccc(C(=O)CC)cc1OC ZINC000000360694 168250677 /nfs/dbraw/zinc/25/06/77/168250677.db2.gz CSUAFTFXQJKOCS-UHFFFAOYSA-N 0 0 236.267 2.603 50 0 BFAARN CCC(=O)[C@@H](C)COCc1ccccc1 ZINC000043763662 168251022 /nfs/dbraw/zinc/25/10/22/168251022.db2.gz AFNDRZYNYFTKKW-NSHDSACASA-N 0 0 206.285 2.818 50 0 BFAARN CCC(C)(C)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000020295819 168268556 /nfs/dbraw/zinc/26/85/56/168268556.db2.gz YHHAKYAGOKBCAT-UHFFFAOYSA-N 0 0 246.310 2.556 50 0 BFAARN CCC(C)(C)NC(=O)COc1cccc(C)c1 ZINC000041864284 168291464 /nfs/dbraw/zinc/29/14/64/168291464.db2.gz XSFHLOKMVNZLQA-UHFFFAOYSA-N 0 0 235.327 2.679 50 0 BFAARN CCC(C)(C)NC(=O)c1ccc(C(C)=O)s1 ZINC000032903243 168296352 /nfs/dbraw/zinc/29/63/52/168296352.db2.gz XSMQGVWAMKLUMJ-UHFFFAOYSA-N 0 0 239.340 2.869 50 0 BFAARN CCC(C)(C)NC(=O)c1ccc2nccnc2c1 ZINC000032667780 168296506 /nfs/dbraw/zinc/29/65/06/168296506.db2.gz HMGHXLYJQTZITF-UHFFFAOYSA-N 0 0 243.310 2.548 50 0 BFAARN CCN(Cc1cccnc1)c1cccc(CO)c1 ZINC000095972532 169921811 /nfs/dbraw/zinc/92/18/11/169921811.db2.gz AESZXOHGVLIKTJ-UHFFFAOYSA-N 0 0 242.322 2.600 50 0 BFAARN CCN(Cc1ccncc1)C(=O)c1ccc(C)o1 ZINC000006715398 169925239 /nfs/dbraw/zinc/92/52/39/169925239.db2.gz VIFIVLQDOHEYMZ-UHFFFAOYSA-N 0 0 244.294 2.645 50 0 BFAARN Cc1cnc(CNc2ccccc2F)nc1 ZINC000336358536 411493325 /nfs/dbraw/zinc/49/33/25/411493325.db2.gz WNDTZUKQQODYDU-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN CCNC(=O)CSc1ccc(Cl)cc1 ZINC000000443800 170069338 /nfs/dbraw/zinc/06/93/38/170069338.db2.gz SNXXCZAITWNLOB-UHFFFAOYSA-N 0 0 229.732 2.568 50 0 BFAARN CCNC(=O)C[C@@H](C)CCc1ccccc1 ZINC000065517328 170069791 /nfs/dbraw/zinc/06/97/91/170069791.db2.gz RONHWNZQWPSGKY-LBPRGKRZSA-N 0 0 219.328 2.782 50 0 BFAARN CCNC(=O)Nc1ccccc1C(F)(F)F ZINC000040161268 170085071 /nfs/dbraw/zinc/08/50/71/170085071.db2.gz ZNVROOFPOBGOAU-UHFFFAOYSA-N 0 0 232.205 2.847 50 0 BFAARN CCNC(=O)Nc1cccc2ccccc21 ZINC000000395065 170085641 /nfs/dbraw/zinc/08/56/41/170085641.db2.gz SMNYGFHWZXVHCR-UHFFFAOYSA-N 0 0 214.268 2.981 50 0 in-vitro BFAARN CCNC(=O)c1cc(C)nc2ccc(Cl)cc21 ZINC000064553210 170100272 /nfs/dbraw/zinc/10/02/72/170100272.db2.gz WODKDZUBMXIFOW-UHFFFAOYSA-N 0 0 248.713 2.946 50 0 BFAARN CCNC(=O)c1cc(Cl)ccc1Cl ZINC000000060726 170100396 /nfs/dbraw/zinc/10/03/96/170100396.db2.gz SEACFFLHIBYADH-UHFFFAOYSA-N 0 0 218.083 2.743 50 0 BFAARN CCNC(=O)c1cc2ccccc2s1 ZINC000057547435 170100979 /nfs/dbraw/zinc/10/09/79/170100979.db2.gz QPZQWDSVSMCFSF-UHFFFAOYSA-N 0 0 205.282 2.651 50 0 BFAARN CCNC(=O)c1csc2c1CCCCC2 ZINC000064551593 170104253 /nfs/dbraw/zinc/10/42/53/170104253.db2.gz ZRFBMGKDFBANJY-UHFFFAOYSA-N 0 0 223.341 2.767 50 0 BFAARN CCNC(=S)Nc1ccccc1Cl ZINC000003997361 170106586 /nfs/dbraw/zinc/10/65/86/170106586.db2.gz GYFGEIDLZZTMHJ-UHFFFAOYSA-N 0 0 214.721 2.646 50 0 BFAARN CCN[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000019230085 170137702 /nfs/dbraw/zinc/13/77/02/170137702.db2.gz XBZNQKXFGBLBGI-LLVKDONJSA-N 0 0 241.718 2.554 50 0 BFAARN CCNc1ccc(-c2ccc(OC)c(F)c2)nn1 ZINC000050868044 170172756 /nfs/dbraw/zinc/17/27/56/170172756.db2.gz FPMBWHNBAUUEAC-UHFFFAOYSA-N 0 0 247.273 2.723 50 0 BFAARN CCNc1ncnc2c3ccccc3oc21 ZINC000004476206 170178490 /nfs/dbraw/zinc/17/84/90/170178490.db2.gz QVSDVCJMRMYMQE-UHFFFAOYSA-N 0 0 213.240 2.808 50 0 BFAARN CCOC(=O)C=C1CSc2ccccc2N1 ZINC000018029233 170183223 /nfs/dbraw/zinc/18/32/23/170183223.db2.gz ZVUNXUBYWPNSIE-CLFYSBASSA-N 0 0 235.308 2.651 50 0 BFAARN CCOC(=O)/C=C1\CCc2ccccc21 ZINC000097758962 170183338 /nfs/dbraw/zinc/18/33/38/170183338.db2.gz KRGWQDMTJGWQFM-PKNBQFBNSA-N 0 0 202.253 2.579 50 0 BFAARN CCOC(=O)C(=O)c1cccc(C(C)(C)C)c1 ZINC000043504363 170184591 /nfs/dbraw/zinc/18/45/91/170184591.db2.gz QSCOBHUKASAZTJ-UHFFFAOYSA-N 0 0 234.295 2.730 50 0 BFAARN CCOC(=O)C(=O)c1cccc(Cl)c1Cl ZINC000075865371 170184652 /nfs/dbraw/zinc/18/46/52/170184652.db2.gz AHXVZWLBSUWYJX-UHFFFAOYSA-N 0 0 247.077 2.739 50 0 BFAARN CCOC(=O)C(=O)c1ccc(C)c2ccccc12 ZINC000043209638 170184951 /nfs/dbraw/zinc/18/49/51/170184951.db2.gz RTYLWBWBCMIRBY-UHFFFAOYSA-N 0 0 242.274 2.894 50 0 BFAARN CCOC(=O)C1CC(OCc2ccccc2)C1 ZINC000032297712 170192550 /nfs/dbraw/zinc/19/25/50/170192550.db2.gz BOBSPEXKRNDFCE-UHFFFAOYSA-N 0 0 234.295 2.545 50 0 BFAARN CCOC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000002243043 170198488 /nfs/dbraw/zinc/19/84/88/170198488.db2.gz YKJFOAUMSHLSEB-UHFFFAOYSA-N 0 0 240.686 2.866 50 0 BFAARN CCOC(=O)CCC(=O)c1ccccc1C ZINC000002378870 170198531 /nfs/dbraw/zinc/19/85/31/170198531.db2.gz HPMTULZWQMOMPF-UHFFFAOYSA-N 0 0 220.268 2.521 50 0 BFAARN CCOC(=O)CCc1cccc(Cl)c1 ZINC000034497547 170212262 /nfs/dbraw/zinc/21/22/62/170212262.db2.gz KQQZLHYCICBIIE-UHFFFAOYSA-N 0 0 212.676 2.836 50 0 BFAARN CCOC(=O)CSc1ccc2ccccc2n1 ZINC000000163601 170230118 /nfs/dbraw/zinc/23/01/18/170230118.db2.gz AIHOCXBKNMJTLF-UHFFFAOYSA-N 0 0 247.319 2.890 50 0 BFAARN CCOC(=O)C[C@@H]1CCCCC1(F)F ZINC000066324281 170231827 /nfs/dbraw/zinc/23/18/27/170231827.db2.gz METPEYIWWISPRR-QMMMGPOBSA-N 0 0 206.232 2.765 50 0 BFAARN CCOC(=O)Cc1nc2cc(Cl)ccc2o1 ZINC000000470733 170236826 /nfs/dbraw/zinc/23/68/26/170236826.db2.gz LIDLQLJDBGDIFT-UHFFFAOYSA-N 0 0 239.658 2.587 50 0 BFAARN CCOC(=O)N(C#N)c1ccc(Cl)cc1 ZINC000000400509 170237876 /nfs/dbraw/zinc/23/78/76/170237876.db2.gz OARINEBPUHYVMD-UHFFFAOYSA-N 0 0 224.647 2.784 50 0 BFAARN CCOC(=O)Nc1cc(C)ccc1OC ZINC000000145335 170243331 /nfs/dbraw/zinc/24/33/31/170243331.db2.gz QDJJDRMGIIKSMK-UHFFFAOYSA-N 0 0 209.245 2.572 50 0 BFAARN CCOC(=O)Nc1ccc(OC)cc1C ZINC000013327583 170243733 /nfs/dbraw/zinc/24/37/33/170243733.db2.gz IGFRZXHFPITEDR-UHFFFAOYSA-N 0 0 209.245 2.572 50 0 BFAARN CCOC(=O)Oc1ccc(F)cc1F ZINC000038293180 170244308 /nfs/dbraw/zinc/24/43/08/170244308.db2.gz MBAMZRLDXCEBEA-UHFFFAOYSA-N 0 0 202.156 2.500 50 0 BFAARN CCOC(=O)[C@@H](CC)SCc1cccnc1 ZINC000194543639 170250596 /nfs/dbraw/zinc/25/05/96/170250596.db2.gz MUVJHGBETUZUPR-LLVKDONJSA-N 0 0 239.340 2.657 50 0 BFAARN CCOC(=O)[C@@]12CCC(C)=C(CCCC1)C2=O ZINC000071773229 170263359 /nfs/dbraw/zinc/26/33/59/170263359.db2.gz QQJVTJIBMADDKT-BXUZGUMPSA-N 0 0 236.311 2.645 50 0 BFAARN CCOC(=O)c1[nH]c2ccc(CC)cc2c1C=O ZINC000002534048 170286413 /nfs/dbraw/zinc/28/64/13/170286413.db2.gz VXOWLKHZDGJRAQ-UHFFFAOYSA-N 0 0 245.278 2.720 50 0 BFAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1C ZINC000000551493 170286687 /nfs/dbraw/zinc/28/66/87/170286687.db2.gz MZBGNUFRAXDPAT-UHFFFAOYSA-N 0 0 233.267 2.662 50 0 BFAARN CCOC(=O)c1c(C)cc(C)[nH]c1=S ZINC000000056384 170287437 /nfs/dbraw/zinc/28/74/37/170287437.db2.gz YIWHZWNZHBVKFF-UHFFFAOYSA-N 0 0 211.286 2.538 50 0 BFAARN CCOC(=O)c1c(N)scc1CC(C)C ZINC000003886324 170288001 /nfs/dbraw/zinc/28/80/01/170288001.db2.gz WKTSGSNDSJZXHT-UHFFFAOYSA-N 0 0 227.329 2.706 50 0 BFAARN CCOC(=O)c1c(C)oc2ccc(O)cc21 ZINC000000095509 170288207 /nfs/dbraw/zinc/28/82/07/170288207.db2.gz KSNVFCJUBJUTPF-UHFFFAOYSA-N 0 0 220.224 2.624 50 0 BFAARN CCOC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000015442928 170290250 /nfs/dbraw/zinc/29/02/50/170290250.db2.gz IYDBYHCVVNAFSM-UHFFFAOYSA-N 0 0 235.214 2.657 50 0 BFAARN CCOC(=O)c1cc(-c2cccs2)no1 ZINC000000508299 170290912 /nfs/dbraw/zinc/29/09/12/170290912.db2.gz LMXQQXUDABZEKR-UHFFFAOYSA-N 0 0 223.253 2.580 50 0 BFAARN CCOC(=O)c1cc(-c2ccccc2)nn1CC ZINC000015442865 170291070 /nfs/dbraw/zinc/29/10/70/170291070.db2.gz PTGXNENSKKSZDH-UHFFFAOYSA-N 0 0 244.294 2.747 50 0 BFAARN CCOC(=O)c1cc(C)nc2ccccc21 ZINC000000781951 170291374 /nfs/dbraw/zinc/29/13/74/170291374.db2.gz QLDHESIQYKWVIL-UHFFFAOYSA-N 0 0 215.252 2.720 50 0 BFAARN CCOC(=O)c1cc(C(F)(F)F)sc1N ZINC000148540468 170291403 /nfs/dbraw/zinc/29/14/03/170291403.db2.gz STAWMSHJYZKYJB-UHFFFAOYSA-N 0 0 239.218 2.526 50 0 BFAARN CCOC(=O)c1cc(Cl)ncc1Cl ZINC000014007469 170292203 /nfs/dbraw/zinc/29/22/03/170292203.db2.gz IBPDZRSCWRLNMV-UHFFFAOYSA-N 0 0 220.055 2.565 50 0 BFAARN CCOC(=O)c1cc(Cl)cc(Cl)n1 ZINC000063772354 170292546 /nfs/dbraw/zinc/29/25/46/170292546.db2.gz BKDVLXYPBAYFMR-UHFFFAOYSA-N 0 0 220.055 2.565 50 0 BFAARN CCOC(=O)c1ccc(Br)s1 ZINC000002583440 170294285 /nfs/dbraw/zinc/29/42/85/170294285.db2.gz PZNHMXAOMDQLLE-UHFFFAOYSA-N 0 0 235.102 2.687 50 0 BFAARN CCOC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000000110982 170294748 /nfs/dbraw/zinc/29/47/48/170294748.db2.gz BZKAPKRQMNXYNG-UHFFFAOYSA-N 0 0 244.294 2.666 50 0 BFAARN CCOC(=O)c1ccc(Br)cc1 ZINC000000389743 170294792 /nfs/dbraw/zinc/29/47/92/170294792.db2.gz XZIAFENWXIQIKR-UHFFFAOYSA-N 0 0 229.073 2.626 50 0 BFAARN CCOC(=O)c1ccc(C(F)(F)F)nc1C ZINC000019738642 170295100 /nfs/dbraw/zinc/29/51/00/170295100.db2.gz VWUMOTRXCZMICA-UHFFFAOYSA-N 0 0 233.189 2.586 50 0 BFAARN CCOC(=O)c1ccc(NC(=O)[C@@H](C)CC)cc1 ZINC000000373308 170296215 /nfs/dbraw/zinc/29/62/15/170296215.db2.gz BELVVCQNRFNPHZ-JTQLQIEISA-N 0 0 249.310 2.848 50 0 BFAARN CCOC(=O)c1ccc(N(CC)CC)cc1 ZINC000000058256 170296292 /nfs/dbraw/zinc/29/62/92/170296292.db2.gz XPKFLEVLLPKCIW-UHFFFAOYSA-N 0 0 221.300 2.710 50 0 BFAARN CCOC(=O)c1ccc(NCC2CC2)cc1 ZINC000036883859 170296914 /nfs/dbraw/zinc/29/69/14/170296914.db2.gz KYDWGMLGLSQECM-UHFFFAOYSA-N 0 0 219.284 2.685 50 0 BFAARN CCOC(=O)c1cccc(C(F)(F)F)c1 ZINC000002170322 170298561 /nfs/dbraw/zinc/29/85/61/170298561.db2.gz MHNBTKIAHHECCQ-UHFFFAOYSA-N 0 0 218.174 2.882 50 0 BFAARN CCOC(=O)c1cccc(NC(=O)C(C)C)c1C ZINC000072117731 170298837 /nfs/dbraw/zinc/29/88/37/170298837.db2.gz WPAWTDIRPKLTHX-UHFFFAOYSA-N 0 0 249.310 2.766 50 0 BFAARN CCOC(=O)c1cnn(-c2ccccc2C)c1C ZINC000002532524 170303426 /nfs/dbraw/zinc/30/34/26/170303426.db2.gz RLPSPOKZLPVRGA-UHFFFAOYSA-N 0 0 244.294 2.666 50 0 BFAARN CCOC(=O)c1csc2ncnc(Cl)c12 ZINC000036226171 170305426 /nfs/dbraw/zinc/30/54/26/170305426.db2.gz MHFSKNOBTNLWKM-UHFFFAOYSA-N 0 0 242.687 2.521 50 0 BFAARN CCOC(=O)c1ncc(-c2ccccc2)s1 ZINC000077031717 170307871 /nfs/dbraw/zinc/30/78/71/170307871.db2.gz FWBZHFHLKWUNKL-UHFFFAOYSA-N 0 0 233.292 2.987 50 0 BFAARN CCOC(=O)c1ncc(-c2ccc(F)cc2)o1 ZINC000061957832 170308304 /nfs/dbraw/zinc/30/83/04/170308304.db2.gz LDOGOQBEYDOXAT-UHFFFAOYSA-N 0 0 235.214 2.657 50 0 BFAARN CCOC(=O)c1nsc(Cl)c1Cl ZINC000000027756 170309985 /nfs/dbraw/zinc/30/99/85/170309985.db2.gz HQMXSUYUKRJYCL-UHFFFAOYSA-N 0 0 226.084 2.627 50 0 BFAARN CCOC(=O)c1sccc1Br ZINC000038846394 170310904 /nfs/dbraw/zinc/31/09/04/170310904.db2.gz OWQBBCHDTVSHOL-UHFFFAOYSA-N 0 0 235.102 2.687 50 0 BFAARN CCOC(Cc1cccc(C)c1)OCC ZINC000043503121 170315823 /nfs/dbraw/zinc/31/58/23/170315823.db2.gz IMBCQLUMUFHDMN-UHFFFAOYSA-N 0 0 208.301 2.937 50 0 BFAARN CCOC(COc1ccccc1F)OCC ZINC000071863806 170315938 /nfs/dbraw/zinc/31/59/38/170315938.db2.gz QUAGZJIIKHPNPN-UHFFFAOYSA-N 0 0 228.263 2.604 50 0 BFAARN CCOC(OCC)c1ccc(C=O)cc1 ZINC000000056628 170317370 /nfs/dbraw/zinc/31/73/70/170317370.db2.gz HTMXMFARWHNJDW-UHFFFAOYSA-N 0 0 208.257 2.571 50 0 BFAARN CCOC(OCC)c1nc2ccccc2[nH]1 ZINC000004343344 170317385 /nfs/dbraw/zinc/31/73/85/170317385.db2.gz HJQKHEYWEHJTGQ-UHFFFAOYSA-N 0 0 220.272 2.635 50 0 BFAARN CCOCC(=O)Nc1cccc(Cl)c1Cl ZINC000002069463 170349408 /nfs/dbraw/zinc/34/94/08/170349408.db2.gz XZMQIOQJAVMZSE-UHFFFAOYSA-N 0 0 248.109 2.968 50 0 BFAARN CCOCCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000004825865 170361470 /nfs/dbraw/zinc/36/14/70/170361470.db2.gz AVJVQWHCGZFJLP-ZDUSSCGKSA-N 0 0 249.354 2.551 50 0 BFAARN CCOCCC(=O)Nc1ccc2[nH]ccc2c1 ZINC000079043184 170362973 /nfs/dbraw/zinc/36/29/73/170362973.db2.gz JKRFLQGTFPTBLL-UHFFFAOYSA-N 0 0 232.283 2.533 50 0 BFAARN CCOCCCNC(=O)/C=C\c1ccc(C)cc1 ZINC000033785669 170376176 /nfs/dbraw/zinc/37/61/76/170376176.db2.gz UOXVEQALMNANJT-KTKRTIGZSA-N 0 0 247.338 2.551 50 0 BFAARN CCOCCCNC(=O)/C=C/c1ccc(C)cc1 ZINC000014155119 170376180 /nfs/dbraw/zinc/37/61/80/170376180.db2.gz UOXVEQALMNANJT-MDZDMXLPSA-N 0 0 247.338 2.551 50 0 BFAARN CCOCCCNc1ncnc2sccc21 ZINC000003279512 170384079 /nfs/dbraw/zinc/38/40/79/170384079.db2.gz HCCQBYHVVAZJOE-UHFFFAOYSA-N 0 0 237.328 2.530 50 0 BFAARN CCOCc1nnc(NCc2cccc(C)c2)o1 ZINC000096494356 170461116 /nfs/dbraw/zinc/46/11/16/170461116.db2.gz WMSCMFOYJMFFQY-UHFFFAOYSA-N 0 0 247.298 2.527 50 0 BFAARN CCOc1c(Cl)cc(N)cc1Cl ZINC000034515000 170514645 /nfs/dbraw/zinc/51/46/45/170514645.db2.gz JCYWFHRQFXSCCN-UHFFFAOYSA-N 0 0 206.072 2.974 50 0 BFAARN CCOc1cc(C=O)ccc1OC(C)C ZINC000000442816 170521446 /nfs/dbraw/zinc/52/14/46/170521446.db2.gz BONBRXUQMCNSCR-UHFFFAOYSA-N 0 0 208.257 2.685 50 0 BFAARN CCOc1cc(N(CC)CC)ccc1C=O ZINC000000567160 170523698 /nfs/dbraw/zinc/52/36/98/170523698.db2.gz XPSLOHMBERQXIX-UHFFFAOYSA-N 0 0 221.300 2.744 50 0 BFAARN CCOc1cc(O)cc(Cl)c1OCC ZINC000261493394 170527757 /nfs/dbraw/zinc/52/77/57/170527757.db2.gz AGBUASVBZKAZLQ-UHFFFAOYSA-N 0 0 216.664 2.843 50 0 BFAARN CCOc1ccc(-c2ccc(OCC)nc2)cn1 ZINC000000343604 170531499 /nfs/dbraw/zinc/53/14/99/170531499.db2.gz ZURXSWVESAVAIC-UHFFFAOYSA-N 0 0 244.294 2.941 50 0 BFAARN CCOc1cccc(OCC)c1C(C)=O ZINC000002526532 170582594 /nfs/dbraw/zinc/58/25/94/170582594.db2.gz JSHQXPUUAGGTDX-UHFFFAOYSA-N 0 0 208.257 2.687 50 0 BFAARN CCOc1ncnc2c3cc(OC)ccc3[nH]c21 ZINC000018122815 170605050 /nfs/dbraw/zinc/60/50/50/170605050.db2.gz UUUNMBJFDSAVEL-UHFFFAOYSA-N 0 0 243.266 2.518 50 0 BFAARN CC[C@@H](C)NC(=O)Cc1ccc(C)cc1C ZINC000072436968 170741575 /nfs/dbraw/zinc/74/15/75/170741575.db2.gz RABHIUMYCHIGEE-GFCCVEGCSA-N 0 0 219.328 2.761 50 0 BFAARN CC[C@@H](CC1CC1)NC(=O)c1ccnc(F)c1 ZINC000070103012 170815816 /nfs/dbraw/zinc/81/58/16/170815816.db2.gz QLADUPFBGAHTKH-NSHDSACASA-N 0 0 236.290 2.529 50 0 BFAARN CC[C@@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000000318991 170885740 /nfs/dbraw/zinc/88/57/40/170885740.db2.gz GFKDOXOZCHNMPU-CQSZACIVSA-N 0 0 240.306 2.963 50 0 BFAARN CC[C@@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000002585364 170938574 /nfs/dbraw/zinc/93/85/74/170938574.db2.gz QRHBGWMLUAGPNM-GSVOUGTGSA-N 0 0 226.144 2.826 50 0 BFAARN CC[C@@H]1CCCC[C@@H]1OC(=O)CCCOC ZINC000097364033 170968289 /nfs/dbraw/zinc/96/82/89/170968289.db2.gz FDPYPCWSEVDKEM-NEPJUHHUSA-N 0 0 228.332 2.925 50 0 BFAARN CC[C@@]1(C)OC(=O)N(Cc2ccccc2)[C@@]1(C)O ZINC000035327538 171208891 /nfs/dbraw/zinc/20/88/91/171208891.db2.gz MUMVWDVYJBOAQP-KGLIPLIRSA-N 0 0 249.310 2.516 50 0 BFAARN CC[C@H](C)C(=O)N[C@@H](C)Cc1cccs1 ZINC000069413858 171253319 /nfs/dbraw/zinc/25/33/19/171253319.db2.gz HVRGWWISBYQUMV-UWVGGRQHSA-N 0 0 225.357 2.841 50 0 BFAARN CC[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000057547483 171253329 /nfs/dbraw/zinc/25/33/29/171253329.db2.gz VRZFSVSRERGWKE-CMPLNLGQSA-N 0 0 233.311 2.673 50 0 BFAARN CC[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000012553474 171254289 /nfs/dbraw/zinc/25/42/89/171254289.db2.gz IIXRVDVDZFZKGL-JTQLQIEISA-N 0 0 221.300 2.988 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000012985373 171255374 /nfs/dbraw/zinc/25/53/74/171255374.db2.gz KHVMGBGXPYYLHO-VIFPVBQESA-N 0 0 248.326 2.938 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(OC)c(F)c1 ZINC000040542270 171255388 /nfs/dbraw/zinc/25/53/88/171255388.db2.gz SEKSKQFAATYFTI-QMMMGPOBSA-N 0 0 225.263 2.819 50 0 BFAARN CC[C@@H](C)N(C(=O)[C@@H]1CCCO1)[C@@H](C)CC ZINC000013892983 171300703 /nfs/dbraw/zinc/30/07/03/171300703.db2.gz NUNUDSKUPNYYGR-TUAOUCFPSA-N 0 0 227.348 2.591 50 0 BFAARN CC[C@H](C)N(C)C(=O)Nc1ccccc1OC ZINC000047275261 171303111 /nfs/dbraw/zinc/30/31/11/171303111.db2.gz HWSLXJNIRWEXTO-JTQLQIEISA-N 0 0 236.315 2.957 50 0 BFAARN CC[C@H](C)NC(=O)/C=C\c1ccc(F)cc1 ZINC000096446194 171321388 /nfs/dbraw/zinc/32/13/88/171321388.db2.gz KOOJCJQGKBMPMJ-MBACFSSFSA-N 0 0 221.275 2.754 50 0 BFAARN CC[C@H](C)NC(=O)CCCc1ccccc1 ZINC000002882471 171321742 /nfs/dbraw/zinc/32/17/42/171321742.db2.gz BUQASXUPXAUPAL-LBPRGKRZSA-N 0 0 219.328 2.924 50 0 BFAARN CC[C@H](C)NC(=O)Cc1c[nH]c2ccccc12 ZINC000035128106 171327132 /nfs/dbraw/zinc/32/71/32/171327132.db2.gz RJIJGVXTOUCJNA-JTQLQIEISA-N 0 0 230.311 2.625 50 0 BFAARN CC[C@H](C)NC(=O)N1CCCCCCC1 ZINC000013745935 171328088 /nfs/dbraw/zinc/32/80/88/171328088.db2.gz NGZOPSUJVFCEIM-NSHDSACASA-N 0 0 212.337 2.761 50 0 BFAARN CC[C@H](C)NC(=O)NCCCNc1ccccc1 ZINC000065529128 171328860 /nfs/dbraw/zinc/32/88/60/171328860.db2.gz PEESPVBHPIXWIL-LBPRGKRZSA-N 0 0 249.358 2.586 50 0 BFAARN CC[C@H](C)NC(=O)N1CCc2sccc2C1 ZINC000042843565 171329507 /nfs/dbraw/zinc/32/95/07/171329507.db2.gz HAXQOSZISVTNJG-VIFPVBQESA-N 0 0 238.356 2.614 50 0 BFAARN CC[C@H](C)NC(=O)NC1CCC(C)CC1 ZINC000013746343 171329594 /nfs/dbraw/zinc/32/95/94/171329594.db2.gz XHWVEVGEDGSVDG-YVNMAJEFSA-N 0 0 212.337 2.663 50 0 BFAARN CC[C@H](C)NC(=O)N[C@H](C)c1cccc(O)c1 ZINC000065513370 171330268 /nfs/dbraw/zinc/33/02/68/171330268.db2.gz AGLJOFDWVLHCPV-VHSXEESVSA-N 0 0 236.315 2.551 50 0 BFAARN CC[C@H](C)NC(=O)Nc1ccccc1N(C)C ZINC000040526930 171331241 /nfs/dbraw/zinc/33/12/41/171331241.db2.gz UTROHYQTHORUKE-JTQLQIEISA-N 0 0 235.331 2.673 50 0 BFAARN CC[C@H](C)NC(=O)Nc1ccc(OC)c(F)c1 ZINC000048450847 171331356 /nfs/dbraw/zinc/33/13/56/171331356.db2.gz FWQJBPQQXZXGEX-QMMMGPOBSA-N 0 0 240.278 2.754 50 0 BFAARN CC[C@H](C)NC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000014397116 171332456 /nfs/dbraw/zinc/33/24/56/171332456.db2.gz XJWYOJRJIJAQQF-NWDGAFQWSA-N 0 0 235.327 2.677 50 0 BFAARN CC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1C ZINC000006603684 171332952 /nfs/dbraw/zinc/33/29/52/171332952.db2.gz QWDQTEBIJCAEFC-NWDGAFQWSA-N 0 0 235.327 2.677 50 0 BFAARN CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)Nc2ccccc21 ZINC000019434260 171335666 /nfs/dbraw/zinc/33/56/66/171335666.db2.gz RMFKCPZVZSAUNM-LOWVWBTDSA-N 0 0 246.354 2.889 50 0 BFAARN CC[C@H](C)NC(=O)c1ccc(C)c(OC)c1 ZINC000032814889 171337121 /nfs/dbraw/zinc/33/71/21/171337121.db2.gz WVNKGQKPMSLJCX-JTQLQIEISA-N 0 0 221.300 2.532 50 0 BFAARN CC[C@H](C)NC(=O)c1ccccc1SC ZINC000002864423 171338014 /nfs/dbraw/zinc/33/80/14/171338014.db2.gz BFJHOMADUJGBRP-VIFPVBQESA-N 0 0 223.341 2.937 50 0 BFAARN CC[C@H](C)Nc1cc(OC)cc(OC)c1 ZINC000019909733 171349814 /nfs/dbraw/zinc/34/98/14/171349814.db2.gz YCLHCNPMUGUYOS-VIFPVBQESA-N 0 0 209.289 2.914 50 0 BFAARN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)C ZINC000008041219 171591039 /nfs/dbraw/zinc/59/10/39/171591039.db2.gz XEABCGZJIFRHOH-NSHDSACASA-N 0 0 241.718 2.586 50 0 BFAARN CC[C@](O)(c1ccccc1)c1ccccn1 ZINC000013209147 171709993 /nfs/dbraw/zinc/70/99/93/171709993.db2.gz WZNNOTSNAIGFJA-AWEZNQCLSA-N 0 0 213.280 2.728 50 0 BFAARN CCc1ccc(C(=O)Nc2cccnc2)s1 ZINC000016603796 171787350 /nfs/dbraw/zinc/78/73/50/171787350.db2.gz NOHPPEUVLLNAMK-UHFFFAOYSA-N 0 0 232.308 2.958 50 0 BFAARN CCc1ccccc1NC(=O)c1snnc1C ZINC000000385474 171888530 /nfs/dbraw/zinc/88/85/30/171888530.db2.gz CXLPURQHRMBSJU-UHFFFAOYSA-N 0 0 247.323 2.661 50 0 BFAARN CCc1cc2c(nc(CC)nc2NC)s1 ZINC000041090080 171999192 /nfs/dbraw/zinc/99/91/92/171999192.db2.gz YSBIWMVFLGKUQV-UHFFFAOYSA-N 0 0 221.329 2.858 50 0 BFAARN CCc1nc2cc(-c3c(C)n[nH]c3C)cnc2[nH]1 ZINC000096147814 172014904 /nfs/dbraw/zinc/01/49/04/172014904.db2.gz SUULBHUIJHOLOD-UHFFFAOYSA-N 0 0 241.298 2.527 50 0 BFAARN CCc1nnc(CNc2c(C)cccc2OC)o1 ZINC000194557655 172053277 /nfs/dbraw/zinc/05/32/77/172053277.db2.gz KTWHTVSESGLFDT-UHFFFAOYSA-N 0 0 247.298 2.561 50 0 BFAARN CCc1nnc(NCc2ccccc2OC)s1 ZINC000095976647 172059948 /nfs/dbraw/zinc/05/99/48/172059948.db2.gz OXQXSJALVDZIQX-UHFFFAOYSA-N 0 0 249.339 2.721 50 0 BFAARN CCc1nnc(NCc2cccs2)s1 ZINC000096485558 172060616 /nfs/dbraw/zinc/06/06/16/172060616.db2.gz OKIXWDJZTIUGIK-UHFFFAOYSA-N 0 0 225.342 2.774 50 0 BFAARN CCc1noc(C)c1C(=O)N[C@@H](C)C(C)(C)C ZINC000013744445 172075954 /nfs/dbraw/zinc/07/59/54/172075954.db2.gz WVIJHKMHAAOWNR-VIFPVBQESA-N 0 0 238.331 2.710 50 0 BFAARN CCc1noc(N)c1-c1ccc(F)cc1 ZINC000008745748 172086904 /nfs/dbraw/zinc/08/69/04/172086904.db2.gz LJMQWOISRINAAD-UHFFFAOYSA-N 0 0 206.220 2.625 50 0 BFAARN CCn1c(=S)[nH]nc1-c1ccccc1C ZINC000001306180 172130438 /nfs/dbraw/zinc/13/04/38/172130438.db2.gz JRKZFRVTJOFXHV-UHFFFAOYSA-N 0 0 219.313 2.936 50 0 BFAARN CCn1c(=S)[nH]c2c1c1ccccc1oc2=O ZINC000020178568 172133251 /nfs/dbraw/zinc/13/32/51/172133251.db2.gz NJTKBEBIRSFURW-UHFFFAOYSA-N 0 0 246.291 2.825 50 0 BFAARN CCN1C(=S)N=NC1c1cccc(Cl)c1 ZINC000000566596 172147703 /nfs/dbraw/zinc/14/77/03/172147703.db2.gz UDTJJANDABWLAI-UHFFFAOYSA-N 0 0 239.731 2.907 50 0 BFAARN CCn1cc(C(=O)NC(C)C)c2ccccc21 ZINC000065415735 172153772 /nfs/dbraw/zinc/15/37/72/172153772.db2.gz YFEGYONTZDOPJC-UHFFFAOYSA-N 0 0 230.311 2.799 50 0 BFAARN CCn1cc(NC[C@H]2CC=CCC2)cn1 ZINC000035780146 172185823 /nfs/dbraw/zinc/18/58/23/172185823.db2.gz MWXPQARPQFKTIO-NSHDSACASA-N 0 0 205.305 2.671 50 0 BFAARN CCn1nnc2c1ccc(Br)c2C ZINC000306145201 172287535 /nfs/dbraw/zinc/28/75/35/172287535.db2.gz IQNGUAKMBYLHIA-UHFFFAOYSA-N 0 0 240.104 2.522 50 0 BFAARN CN(C(=O)NC1CCCCCC1)C1CCC1 ZINC000073434014 172317899 /nfs/dbraw/zinc/31/78/99/172317899.db2.gz YIAGPDIFYXVXTI-UHFFFAOYSA-N 0 0 224.348 2.903 50 0 BFAARN CN(C(=O)OC(C)(C)C)c1ccc(O)c(F)c1 ZINC000261493692 172324743 /nfs/dbraw/zinc/32/47/43/172324743.db2.gz HDMKUSMTXAFFRM-UHFFFAOYSA-N 0 0 241.262 2.903 50 0 BFAARN CN(C(=S)NCc1ccco1)c1ccccc1 ZINC000005127290 172348518 /nfs/dbraw/zinc/34/85/18/172348518.db2.gz NHTYDUGGSWWJAK-UHFFFAOYSA-N 0 0 246.335 2.791 50 0 BFAARN CN(C)C(=O)/C=C\c1cc2ccccc2o1 ZINC000098054371 172353213 /nfs/dbraw/zinc/35/32/13/172353213.db2.gz AICTYQFPAWQYHY-FPLPWBNLSA-N 0 0 215.252 2.534 50 0 BFAARN CN(C)C(=O)Sc1ccc2c(c1)CCCC2=O ZINC000047844216 172383993 /nfs/dbraw/zinc/38/39/93/172383993.db2.gz AMZNKLYLFKFXDT-UHFFFAOYSA-N 0 0 249.335 2.979 50 0 BFAARN CN(C)C(=O)c1ccc(-c2ccccc2N)cc1 ZINC000074937784 172388826 /nfs/dbraw/zinc/38/88/26/172388826.db2.gz YROKUIIRNXTBPM-UHFFFAOYSA-N 0 0 240.306 2.638 50 0 BFAARN CN(C)C(=S)Nc1ccccc1OC(F)F ZINC000000611840 172393224 /nfs/dbraw/zinc/39/32/24/172393224.db2.gz VUTXTKODNYQCFA-UHFFFAOYSA-N 0 0 246.282 2.546 50 0 BFAARN CN(CCc1ccncc1)C(=O)CC(C)(C)C ZINC000063487989 172788737 /nfs/dbraw/zinc/78/87/37/172788737.db2.gz AGMGSMXLIHHQJI-UHFFFAOYSA-N 0 0 234.343 2.519 50 0 BFAARN CN(Cc1ccc(F)cc1)C(=O)C1CCCC1 ZINC000032967356 172853321 /nfs/dbraw/zinc/85/33/21/172853321.db2.gz ZJQSMCRHOXMIRX-UHFFFAOYSA-N 0 0 235.302 2.974 50 0 BFAARN CN(Cc1ccccc1)C(=O)CCn1cccc1 ZINC000021016405 172868738 /nfs/dbraw/zinc/86/87/38/172868738.db2.gz RTDXYJZIBMWUKZ-UHFFFAOYSA-N 0 0 242.322 2.537 50 0 BFAARN CNC(=O)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000080611773 173284537 /nfs/dbraw/zinc/28/45/37/173284537.db2.gz JZINKWWCQLYQRV-UHFFFAOYSA-N 0 0 234.343 2.544 50 0 BFAARN CNC(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000047969587 173284894 /nfs/dbraw/zinc/28/48/94/173284894.db2.gz CJVZIXUSVMOZNF-JOYOIKCWSA-N 0 0 248.326 2.707 50 0 BFAARN CNC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000047969578 173284939 /nfs/dbraw/zinc/28/49/39/173284939.db2.gz CJVZIXUSVMOZNF-SKDRFNHKSA-N 0 0 248.326 2.707 50 0 BFAARN CNC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000397824 173292860 /nfs/dbraw/zinc/29/28/60/173292860.db2.gz LGCNJJMAZHDEJH-UHFFFAOYSA-N 0 0 219.071 2.745 50 0 BFAARN CNC(=O)Nc1cccc2ccccc21 ZINC000000395057 173292919 /nfs/dbraw/zinc/29/29/19/173292919.db2.gz VDJTZEDAWWLYLP-UHFFFAOYSA-N 0 0 200.241 2.591 50 0 BFAARN CNC(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000089391672 173292925 /nfs/dbraw/zinc/29/29/25/173292925.db2.gz FBQGQEFBNFZFEH-UHFFFAOYSA-N 0 0 238.262 2.508 50 0 BFAARN CNC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000010052702 173300219 /nfs/dbraw/zinc/30/02/19/173300219.db2.gz LDWSHYSQMNWOKX-NXEZZACHSA-N 0 0 243.228 2.555 50 0 BFAARN CNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000098012982 173308088 /nfs/dbraw/zinc/30/80/88/173308088.db2.gz RDLJUWVBENIGFL-STQMWFEESA-N 0 0 217.312 2.660 50 0 BFAARN CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000089385848 173308374 /nfs/dbraw/zinc/30/83/74/173308374.db2.gz WIGOYGLWPDYVGT-IUCAKERBSA-N 0 0 244.121 2.843 50 0 BFAARN CNC(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC000064551599 173309427 /nfs/dbraw/zinc/30/94/27/173309427.db2.gz RWHOCQPPMSHSHW-UHFFFAOYSA-N 0 0 242.322 2.513 50 0 BFAARN CNC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000004783866 173310148 /nfs/dbraw/zinc/31/01/48/173310148.db2.gz YUQYROVDQRCBPA-UHFFFAOYSA-N 0 0 225.247 2.946 50 0 BFAARN CNC(=O)c1ccccc1SC(C)C ZINC000008496961 173312264 /nfs/dbraw/zinc/31/22/64/173312264.db2.gz UVUZEKSTHLZGFW-UHFFFAOYSA-N 0 0 209.314 2.547 50 0 BFAARN CNc1ccc(Cl)cc1C(=O)NC(C)(C)C ZINC000000145183 173479141 /nfs/dbraw/zinc/47/91/41/173479141.db2.gz FLZQXHYXQYXGGS-UHFFFAOYSA-N 0 0 240.734 2.910 50 0 BFAARN COC(=O)C12CC3C[C@H](C1)C(F)(F)[C@@H](C3)C2 ZINC000072194259 173516894 /nfs/dbraw/zinc/51/68/94/173516894.db2.gz IRSQDTPPCWEWKW-SNWHPCCYSA-N 0 0 230.254 2.621 50 0 BFAARN COC(=O)Cc1c(Cl)cccc1Cl ZINC000002556921 173639632 /nfs/dbraw/zinc/63/96/32/173639632.db2.gz FCWRUYPZZJPCCG-UHFFFAOYSA-N 0 0 219.067 2.709 50 0 in-vitro BFAARN COC(=O)Cc1cc(Cl)cc(F)c1Cl ZINC000261034104 173640426 /nfs/dbraw/zinc/64/04/26/173640426.db2.gz GGTDIQZXNIWPQH-UHFFFAOYSA-N 0 0 237.057 2.848 50 0 BFAARN COC(=O)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000097758862 173640820 /nfs/dbraw/zinc/64/08/20/173640820.db2.gz UYJGRSBZNBYCCV-UHFFFAOYSA-N 0 0 236.164 2.560 50 0 BFAARN COC(=O)Cc1nc(-c2ccccc2)sc1C ZINC000000134784 173643833 /nfs/dbraw/zinc/64/38/33/173643833.db2.gz IGRGQWSVDTYHID-UHFFFAOYSA-N 0 0 247.319 2.834 50 0 BFAARN COC(=O)Nc1ccc(NC(=O)C=C(C)C)cc1 ZINC000046527497 173663011 /nfs/dbraw/zinc/66/30/11/173663011.db2.gz MXXOXAKMMIBXHG-UHFFFAOYSA-N 0 0 248.282 2.770 50 0 BFAARN COC(=O)c1cc2c3ccccc3[nH]c2c(C)n1 ZINC000004278228 173863399 /nfs/dbraw/zinc/86/33/99/173863399.db2.gz LIAUJQLOCLVMMH-UHFFFAOYSA-N 0 0 240.262 2.811 50 0 biogenic,in-vitro BFAARN COC(=O)c1ccc(C)c(NC(=O)CC(C)C)c1 ZINC000009749231 173871952 /nfs/dbraw/zinc/87/19/52/173871952.db2.gz MLDQFNBVTCZULO-UHFFFAOYSA-N 0 0 249.310 2.766 50 0 BFAARN COC(=O)c1ccc(OCCC(C)C)cc1 ZINC000003880948 173886925 /nfs/dbraw/zinc/88/69/25/173886925.db2.gz ULKCRLYLWOPDGY-UHFFFAOYSA-N 0 0 222.284 2.898 50 0 BFAARN COC(=O)c1cccc(-c2c(C)noc2C)c1 ZINC000255189426 173891275 /nfs/dbraw/zinc/89/12/75/173891275.db2.gz PVADSZLPKGGLAC-UHFFFAOYSA-N 0 0 231.251 2.745 50 0 BFAARN COC(=O)c1cccc(-c2ccc(OC)nc2)c1 ZINC000006715207 173893016 /nfs/dbraw/zinc/89/30/16/173893016.db2.gz SSKKWWBDWOOGMQ-UHFFFAOYSA-N 0 0 243.262 2.544 50 0 BFAARN COC(=O)c1cccc(Cc2ccccc2)c1O ZINC000014988426 173894482 /nfs/dbraw/zinc/89/44/82/173894482.db2.gz YBLIRUCJONLCLF-UHFFFAOYSA-N 0 0 242.274 2.770 50 0 BFAARN COC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000040456603 173904858 /nfs/dbraw/zinc/90/48/58/173904858.db2.gz BBVYBWZSDIZSCT-UHFFFAOYSA-N 0 0 236.658 2.517 50 0 BFAARN COC(C)(OC)c1cccc(Br)c1 ZINC000002544772 173956865 /nfs/dbraw/zinc/95/68/65/173956865.db2.gz SWMARCBUWYKQGH-UHFFFAOYSA-N 0 0 245.116 2.915 50 0 BFAARN COC(C)(C)c1nc(-c2ccsc2)no1 ZINC000170608355 173954889 /nfs/dbraw/zinc/95/48/89/173954889.db2.gz JRUXBPFXKZUBHF-UHFFFAOYSA-N 0 0 224.285 2.680 50 0 BFAARN COCC(=O)N(C)[C@H](c1ccccc1C)C(C)C ZINC000071900073 174038386 /nfs/dbraw/zinc/03/83/86/174038386.db2.gz BREMVUDAXSXARA-HNNXBMFYSA-N 0 0 249.354 2.797 50 0 BFAARN COCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000024063286 174054174 /nfs/dbraw/zinc/05/41/74/174054174.db2.gz MNEVTZUUKNPCJD-NSHDSACASA-N 0 0 243.306 2.663 50 0 BFAARN COCCCCNc1nc2ccccc2nc1C ZINC000048336961 174205508 /nfs/dbraw/zinc/20/55/08/174205508.db2.gz LFXSPYQYXZZQFA-UHFFFAOYSA-N 0 0 245.326 2.777 50 0 BFAARN COCCCNC(=O)c1cccc2ccccc21 ZINC000002748598 174245010 /nfs/dbraw/zinc/24/50/10/174245010.db2.gz ZWLQWUOTGFXRHR-UHFFFAOYSA-N 0 0 243.306 2.606 50 0 BFAARN COCCCNC(=O)c1cc2ccccc2s1 ZINC000025044526 174245646 /nfs/dbraw/zinc/24/56/46/174245646.db2.gz KIMRAHANRZNAEB-UHFFFAOYSA-N 0 0 249.335 2.668 50 0 BFAARN COCCC[S@@](=O)Cc1ccccc1Cl ZINC000191206231 174264851 /nfs/dbraw/zinc/26/48/51/174264851.db2.gz ROVOAUZELNTGMR-OAHLLOKOSA-N 0 0 246.759 2.625 50 0 BFAARN COCCOC(=O)Nc1cccc(Cl)c1 ZINC000001655932 174343341 /nfs/dbraw/zinc/34/33/41/174343341.db2.gz FHSDRLPGTZZIQE-UHFFFAOYSA-N 0 0 229.663 2.535 50 0 BFAARN COCCOc1cc(Br)ccc1F ZINC000096024788 174367115 /nfs/dbraw/zinc/36/71/15/174367115.db2.gz ATSLAOPDEIFBDU-UHFFFAOYSA-N 0 0 249.079 2.613 50 0 BFAARN COCCOc1ccc(F)c(Br)c1 ZINC000137053312 174368464 /nfs/dbraw/zinc/36/84/64/174368464.db2.gz WSANPUZLFMLKJH-UHFFFAOYSA-N 0 0 249.079 2.613 50 0 BFAARN COCOc1ccccc1C(F)(F)F ZINC000072283960 174432657 /nfs/dbraw/zinc/43/26/57/174432657.db2.gz KDGCARXCCUSENF-UHFFFAOYSA-N 0 0 206.163 2.688 50 0 BFAARN COCc1noc(-c2oc3ccccc3c2C)n1 ZINC000078774866 174648307 /nfs/dbraw/zinc/64/83/07/174648307.db2.gz OQSAEMIQOCBZKV-UHFFFAOYSA-N 0 0 244.250 2.938 50 0 BFAARN COc1cc(-c2csc(C)n2)ccc1O ZINC000000367068 174938878 /nfs/dbraw/zinc/93/88/78/174938878.db2.gz NYTLHCVKQWFZCD-UHFFFAOYSA-N 0 0 221.281 2.833 50 0 BFAARN COc1cc(C)ccc1Br ZINC000021983919 174967005 /nfs/dbraw/zinc/96/70/05/174967005.db2.gz OERVAQHUJAFULZ-UHFFFAOYSA-N 0 0 201.063 2.766 50 0 BFAARN COc1cc(OC)c(C(C)=O)cc1Cl ZINC000003316851 175007358 /nfs/dbraw/zinc/00/73/58/175007358.db2.gz PGJNIQOOMMZXFU-UHFFFAOYSA-N 0 0 214.648 2.560 50 0 BFAARN COc1cc2cc(C)[nH+]c(C)c2cc1OC ZINC000000245145 175026961 /nfs/dbraw/zinc/02/69/61/175026961.db2.gz FQOYKQIFBOPUNA-UHFFFAOYSA-N 0 0 217.268 2.869 50 0 biogenic BFAARN COc1ccc(-c2cn3cccnc3n2)cc1F ZINC000000202294 175035554 /nfs/dbraw/zinc/03/55/54/175035554.db2.gz CCIBRPFZGGFUFR-UHFFFAOYSA-N 0 0 243.241 2.544 50 0 BFAARN COc1ccc(-c2cn3cc(N)ccc3n2)cc1 ZINC000019953375 175035804 /nfs/dbraw/zinc/03/58/04/175035804.db2.gz NAFZVODTEDRUAK-UHFFFAOYSA-N 0 0 239.278 2.592 50 0 BFAARN COc1ccc(-c2cnc3n2CCC3)cc1 ZINC000026443878 175036980 /nfs/dbraw/zinc/03/69/80/175036980.db2.gz GICZHEPVSTWZEZ-UHFFFAOYSA-N 0 0 214.268 2.505 50 0 BFAARN COc1ccc(-c2nc3ccccc3[nH]2)cc1O ZINC000034155205 175041015 /nfs/dbraw/zinc/04/10/15/175041015.db2.gz PXPZXDLGNKRETH-UHFFFAOYSA-N 0 0 240.262 2.944 50 0 BFAARN COc1ccc(/C=C/C(=O)NCCC(C)C)cc1 ZINC000004696215 175047588 /nfs/dbraw/zinc/04/75/88/175047588.db2.gz NZEWYKLVNIAJHZ-RMKNXTFCSA-N 0 0 247.338 2.871 50 0 BFAARN COc1ccc(Br)cc1CC(C)=O ZINC000002558072 175051119 /nfs/dbraw/zinc/05/11/19/175051119.db2.gz YIUUEXSKURXOPK-UHFFFAOYSA-N 0 0 243.100 2.589 50 0 BFAARN COc1ccc(C(=O)C2CC2)cc1Cl ZINC000036158711 175052955 /nfs/dbraw/zinc/05/29/55/175052955.db2.gz SZSRAEBRCSYNEM-UHFFFAOYSA-N 0 0 210.660 2.941 50 0 BFAARN COc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000000123245 175055929 /nfs/dbraw/zinc/05/59/29/175055929.db2.gz OOKCGNCOULVMQS-UHFFFAOYSA-N 0 0 233.311 2.711 50 0 BFAARN COc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000009140083 175055932 /nfs/dbraw/zinc/05/59/32/175055932.db2.gz VHLDCXQRENDGPQ-UHFFFAOYSA-N 0 0 247.338 2.876 50 0 BFAARN COc1ccc(C(=O)Nc2ccccc2N)cc1 ZINC000000281656 175063617 /nfs/dbraw/zinc/06/36/17/175063617.db2.gz BDYVCYUXCNZYRW-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 in-vivo BFAARN COc1ccc(C(=O)c2nc(C)cs2)cc1 ZINC000071405354 175066985 /nfs/dbraw/zinc/06/69/85/175066985.db2.gz XNGPMRUYKWPTIM-UHFFFAOYSA-N 0 0 233.292 2.691 50 0 BFAARN COc1ccc(C(C)=O)c2c(O)cccc12 ZINC000000509756 175068808 /nfs/dbraw/zinc/06/88/08/175068808.db2.gz HEGADLSVWOYXFY-UHFFFAOYSA-N 0 0 216.236 2.757 50 0 BFAARN COc1ccc(C(O)c2ccc(OC)cc2)cc1 ZINC000000056478 175069672 /nfs/dbraw/zinc/06/96/72/175069672.db2.gz ZODAOVNETBTTJX-UHFFFAOYSA-N 0 0 244.290 2.786 50 0 BFAARN COc1ccc(C(F)(F)F)c(C=O)c1 ZINC000091252080 175070053 /nfs/dbraw/zinc/07/00/53/175070053.db2.gz QFKMLBPPJRRDBX-UHFFFAOYSA-N 0 0 204.147 2.527 50 0 BFAARN COc1ccc(C)cc1C(=O)Nc1cccnc1 ZINC000027576626 175073967 /nfs/dbraw/zinc/07/39/67/175073967.db2.gz AILLKONORUWASQ-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(C)cc1NC(=O)[C@@H]1C[C@@H]1C ZINC000005701521 175077445 /nfs/dbraw/zinc/07/74/45/175077445.db2.gz CPKOFABARXXKLF-VHSXEESVSA-N 0 0 219.284 2.598 50 0 BFAARN COc1ccc(C)cc1NC(=O)OC(C)C ZINC000000396578 175077879 /nfs/dbraw/zinc/07/78/79/175077879.db2.gz VCFHXTHGNMORPH-UHFFFAOYSA-N 0 0 223.272 2.961 50 0 BFAARN COc1ccc(C)cc1NC(=O)CC(F)(F)F ZINC000040490325 175078015 /nfs/dbraw/zinc/07/80/15/175078015.db2.gz IPVREYVGPQOCES-UHFFFAOYSA-N 0 0 247.216 2.895 50 0 BFAARN COc1ccc(C2=NO[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)cc1 ZINC000005305842 175085124 /nfs/dbraw/zinc/08/51/24/175085124.db2.gz YITZJAMHSVPAQQ-NDPMZMCLSA-N 0 0 243.306 2.844 50 0 BFAARN COc1ccc(C=O)cc1O[C@H]1C=CCCC1 ZINC000002571517 175086685 /nfs/dbraw/zinc/08/66/85/175086685.db2.gz OWNCBDUCJKRVEB-LBPRGKRZSA-N 0 0 232.279 2.995 50 0 BFAARN COc1ccc(CCc2nc(C)ccc2O)cc1 ZINC000000178847 175094026 /nfs/dbraw/zinc/09/40/26/175094026.db2.gz UYAJPYFQBAOQTC-UHFFFAOYSA-N 0 0 243.306 2.889 50 0 BFAARN COc1ccc(COc2cccc(N)c2)cc1 ZINC000009239447 175113984 /nfs/dbraw/zinc/11/39/84/175113984.db2.gz QEJXUWGQYJSOSA-UHFFFAOYSA-N 0 0 229.279 2.856 50 0 BFAARN COc1ccc(Cl)c2ccc(C=O)nc12 ZINC000001526683 175119683 /nfs/dbraw/zinc/11/96/83/175119683.db2.gz QYKOEQJFOCITHD-UHFFFAOYSA-N 0 0 221.643 2.709 50 0 BFAARN COc1ccc(Cl)cc1-c1cc[nH]c(=O)c1 ZINC000065339420 175119699 /nfs/dbraw/zinc/11/96/99/175119699.db2.gz RMSJGSWBOWNNQD-UHFFFAOYSA-N 0 0 235.670 2.704 50 0 BFAARN COc1ccc(F)cc1-c1cscn1 ZINC000001520140 175127221 /nfs/dbraw/zinc/12/72/21/175127221.db2.gz CDNDTAMNQHUENN-UHFFFAOYSA-N 0 0 209.245 2.958 50 0 BFAARN COc1ccc(N2C(=O)Cc3ccccc32)cc1 ZINC000033468489 175139073 /nfs/dbraw/zinc/13/90/73/175139073.db2.gz UZZNUBBBIPNJQU-UHFFFAOYSA-N 0 0 239.274 2.916 50 0 BFAARN COc1ccc(NC(=O)C2CCCC2)cc1OC ZINC000001017150 175140408 /nfs/dbraw/zinc/14/04/08/175140408.db2.gz QJSUBUQOCGGZNK-UHFFFAOYSA-N 0 0 249.310 2.833 50 0 BFAARN COc1ccc(NC(=O)C2CC2)c2ncccc12 ZINC000000229539 175140838 /nfs/dbraw/zinc/14/08/38/175140838.db2.gz FFNBEIDXFJONNK-UHFFFAOYSA-N 0 0 242.278 2.592 50 0 BFAARN COc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000000128492 175142577 /nfs/dbraw/zinc/14/25/77/175142577.db2.gz LZSPYXRRVCVACQ-UHFFFAOYSA-N 0 0 241.290 2.876 50 0 BFAARN COc1ccc(NC(=O)Nc2cccs2)cn1 ZINC000000157953 175144997 /nfs/dbraw/zinc/14/49/97/175144997.db2.gz QQTNSKDCQAMODS-UHFFFAOYSA-N 0 0 249.295 2.796 50 0 BFAARN COc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1Cl ZINC000005463863 175145256 /nfs/dbraw/zinc/14/52/56/175145256.db2.gz NFJNXCKNGOHUAQ-VXNVDRBHSA-N 0 0 239.702 2.943 50 0 BFAARN COc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1Cl ZINC000005463850 175147125 /nfs/dbraw/zinc/14/71/25/175147125.db2.gz NFJNXCKNGOHUAQ-APPZFPTMSA-N 0 0 239.702 2.943 50 0 BFAARN COc1ccc(NC(=O)c2ccco2)cc1F ZINC000048324589 175147514 /nfs/dbraw/zinc/14/75/14/175147514.db2.gz XOEXSNXJKFZNOR-UHFFFAOYSA-N 0 0 235.214 2.680 50 0 BFAARN COc1ccc(NC(=O)c2ccccc2C)cn1 ZINC000009377628 175147698 /nfs/dbraw/zinc/14/76/98/175147698.db2.gz ORPYNWKCGRTCAQ-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(NCc2ccccn2)cc1 ZINC000000157673 175152483 /nfs/dbraw/zinc/15/24/83/175152483.db2.gz VZYUNDIQWDHYLW-UHFFFAOYSA-N 0 0 214.268 2.702 50 0 BFAARN COc1ccc(Nc2cncc(Cl)n2)cc1 ZINC000042784053 175156603 /nfs/dbraw/zinc/15/66/03/175156603.db2.gz LHLZNLVNPFGTJD-UHFFFAOYSA-N 0 0 235.674 2.882 50 0 BFAARN COc1ccc(OC(=O)C=C(C)C)cc1OC ZINC000096442977 175163112 /nfs/dbraw/zinc/16/31/12/175163112.db2.gz FMORRVKERVHCMC-UHFFFAOYSA-N 0 0 236.267 2.575 50 0 BFAARN COc1ccc(SCCC(C)=O)cc1 ZINC000035017717 175174940 /nfs/dbraw/zinc/17/49/40/175174940.db2.gz ZVJUIFLWAWZCEJ-UHFFFAOYSA-N 0 0 210.298 2.766 50 0 BFAARN COc1ccc([C@@H]2CCCC[C@H]2O)cc1 ZINC000000393738 175182697 /nfs/dbraw/zinc/18/26/97/175182697.db2.gz FHVVYVTWZBXZBN-QWHCGFSZSA-N 0 0 206.285 2.714 50 0 BFAARN COc1ccc2c(C)c(Cl)c(=O)oc2c1 ZINC000000338391 175203738 /nfs/dbraw/zinc/20/37/38/175203738.db2.gz AEMKPSYXSVLTAJ-UHFFFAOYSA-N 0 0 224.643 2.763 50 0 biogenic,in-vitro BFAARN COc1ccc2c(=O)cc(C(F)F)oc2c1 ZINC000000112319 175203816 /nfs/dbraw/zinc/20/38/16/175203816.db2.gz MNXOAJYPPDFAKU-UHFFFAOYSA-N 0 0 226.178 2.739 50 0 biogenic BFAARN COc1ccc2c(=O)cc(C(F)(F)F)oc2c1 ZINC000000437880 175203956 /nfs/dbraw/zinc/20/39/56/175203956.db2.gz KJVYPPZKUJGINW-UHFFFAOYSA-N 0 0 244.168 2.820 50 0 BFAARN COc1ccc2c(c1)c1ncnc(Cl)c1n2C ZINC000034925352 175218850 /nfs/dbraw/zinc/21/88/50/175218850.db2.gz VKWOHOPWHUHGQV-UHFFFAOYSA-N 0 0 247.685 2.784 50 0 BFAARN COc1ccc2[nH]c(-c3cccc(N)c3)nc2c1 ZINC000013113776 175226392 /nfs/dbraw/zinc/22/63/92/175226392.db2.gz XKDJQTPRYYOATP-UHFFFAOYSA-N 0 0 239.278 2.821 50 0 BFAARN COc1ccc2nc(C)c3c(c2c1)O[C@H](C)C3 ZINC000000053284 175227417 /nfs/dbraw/zinc/22/74/17/175227417.db2.gz IGBLKXMOCQGDCA-MRVPVSSYSA-N 0 0 229.279 2.875 50 0 biogenic BFAARN COc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000014987803 175227882 /nfs/dbraw/zinc/22/78/82/175227882.db2.gz GPYQJBAVCKSQTJ-UHFFFAOYSA-N 0 0 216.162 2.590 50 0 BFAARN COc1ccc2nc(Cl)nc(Cl)c2c1 ZINC000026894496 175228650 /nfs/dbraw/zinc/22/86/50/175228650.db2.gz WEAMQTSRMCCGSJ-UHFFFAOYSA-N 0 0 229.066 2.945 50 0 BFAARN COc1ccc2oc(C(F)F)cc(=O)c2c1 ZINC000000063039 175230947 /nfs/dbraw/zinc/23/09/47/175230947.db2.gz DNGHJXOJQWESRZ-UHFFFAOYSA-N 0 0 226.178 2.739 50 0 BFAARN COc1ccc2oc(C(=O)C3CC3)c(N)c2c1 ZINC000002489128 175231000 /nfs/dbraw/zinc/23/10/00/175231000.db2.gz IDGJAOSBVMWCRL-UHFFFAOYSA-N 0 0 231.251 2.616 50 0 BFAARN COc1ccc2oc(C)c(C(C)=O)c2c1 ZINC000000350312 175231427 /nfs/dbraw/zinc/23/14/27/175231427.db2.gz BUDDPKSFYHCLKL-UHFFFAOYSA-N 0 0 204.225 2.952 50 0 BFAARN COc1cccc(-c2c[nH]c(=S)[nH]2)c1 ZINC000043201973 175233601 /nfs/dbraw/zinc/23/36/01/175233601.db2.gz NAHCKRAVJDCJKM-UHFFFAOYSA-N 0 0 206.270 2.748 50 0 BFAARN COc1cccc(-c2ccc(CO)cc2)c1 ZINC000004204278 175233896 /nfs/dbraw/zinc/23/38/96/175233896.db2.gz IJIHRRZFDGSFOQ-UHFFFAOYSA-N 0 0 214.264 2.855 50 0 BFAARN COc1cccc(-c2ccc(Cl)nn2)c1 ZINC000015021752 175234270 /nfs/dbraw/zinc/23/42/70/175234270.db2.gz SHTCMUJFWBYWLW-UHFFFAOYSA-N 0 0 220.659 2.806 50 0 BFAARN COc1cccc(-c2ccnc3[nH]ccc32)n1 ZINC000072156558 175235078 /nfs/dbraw/zinc/23/50/78/175235078.db2.gz GVYFSHAWVJRXBJ-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN COc1cccc(-c2cn3nc(C)sc3n2)c1 ZINC000007994981 175235443 /nfs/dbraw/zinc/23/54/43/175235443.db2.gz CWZLFVGXKMECNW-UHFFFAOYSA-N 0 0 245.307 2.775 50 0 BFAARN COc1cccc(-c2ncccc2F)c1 ZINC000065370408 175237439 /nfs/dbraw/zinc/23/74/39/175237439.db2.gz LETWWINDWBLYOO-UHFFFAOYSA-N 0 0 203.216 2.896 50 0 BFAARN COc1cccc(/C=C\C(=O)NC(C)(C)C)c1 ZINC000097994022 175240354 /nfs/dbraw/zinc/24/03/54/175240354.db2.gz TTYLHFHMEIZBNK-HJWRWDBZSA-N 0 0 233.311 2.623 50 0 BFAARN COc1cccc(C(=O)Nc2c(C)noc2C)c1 ZINC000084025572 175246356 /nfs/dbraw/zinc/24/63/56/175246356.db2.gz KZVFAXBLYCPWQG-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1cccc(C(=O)Nc2ccc(C)cn2)c1 ZINC000000362259 175246401 /nfs/dbraw/zinc/24/64/01/175246401.db2.gz IFKGEIFGHDYCRJ-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1cccc(C(=O)c2cccc(F)c2F)n1 ZINC000045028753 175247157 /nfs/dbraw/zinc/24/71/57/175247157.db2.gz OFWIHLDRFFWROX-UHFFFAOYSA-N 0 0 249.216 2.599 50 0 BFAARN COc1cccc(C(=O)Oc2cccc(O)c2)c1 ZINC000000365042 175247480 /nfs/dbraw/zinc/24/74/80/175247480.db2.gz LEMLFUMEYPRRNF-UHFFFAOYSA-N 0 0 244.246 2.620 50 0 BFAARN COc1cccc(CCC(=O)C2CCC2)c1 ZINC000002516539 175251067 /nfs/dbraw/zinc/25/10/67/175251067.db2.gz KXYHDASFFJMLHS-UHFFFAOYSA-N 0 0 218.296 2.997 50 0 BFAARN COc1cccc(CN2C(=O)OC[C@@H]2C(C)C)c1 ZINC000095524806 175257322 /nfs/dbraw/zinc/25/73/22/175257322.db2.gz ZLPYVDPJDHYNMQ-CYBMUJFWSA-N 0 0 249.310 2.672 50 0 BFAARN COc1cccc(CNC(=O)C2CCCC2)c1 ZINC000005611430 175261649 /nfs/dbraw/zinc/26/16/49/175261649.db2.gz GJFPYJOKGXMYCH-UHFFFAOYSA-N 0 0 233.311 2.502 50 0 BFAARN COc1cccc(NC(=O)Nc2cccnc2)c1 ZINC000001121283 175277369 /nfs/dbraw/zinc/27/73/69/175277369.db2.gz GKIAWSXZHIOODH-UHFFFAOYSA-N 0 0 243.266 2.734 50 0 BFAARN COc1cccc(OC)c1[C@H](O)c1ccccc1 ZINC000000399601 175282256 /nfs/dbraw/zinc/28/22/56/175282256.db2.gz ASUKMZLOPSASOZ-OAHLLOKOSA-N 0 0 244.290 2.786 50 0 BFAARN COc1cccc([C@@H](C)NC(=O)c2ccco2)c1 ZINC000006699885 175286201 /nfs/dbraw/zinc/28/62/01/175286201.db2.gz DUUWOVRUWLQKFP-SNVBAGLBSA-N 0 0 245.278 2.779 50 0 BFAARN COc1cccc([C@H](C)NC(=O)C2CCC2)c1 ZINC000006729456 175292876 /nfs/dbraw/zinc/29/28/76/175292876.db2.gz SMNHQEQOITXGKY-JTQLQIEISA-N 0 0 233.311 2.673 50 0 BFAARN COc1ccccc1-c1nc(N)sc1C ZINC000032013642 175311036 /nfs/dbraw/zinc/31/10/36/175311036.db2.gz GJKWAARJYXTOCL-UHFFFAOYSA-N 0 0 220.297 2.709 50 0 BFAARN COc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000005528311 175317493 /nfs/dbraw/zinc/31/74/93/175317493.db2.gz LZFKFZYZMJHVTQ-VXGBXAGGSA-N 0 0 247.338 2.813 50 0 BFAARN COc1ccccc1C(=O)Nc1ccccc1O ZINC000004076257 175319150 /nfs/dbraw/zinc/31/91/50/175319150.db2.gz YTTBQNUMHOXYGV-UHFFFAOYSA-N 0 0 243.262 2.653 50 0 BFAARN COc1ccccc1C(=O)Nc1ccccc1 ZINC000000290991 175319217 /nfs/dbraw/zinc/31/92/17/175319217.db2.gz RZGWIZIPFZROQZ-UHFFFAOYSA-N 0 0 227.263 2.948 50 0 BFAARN COc1ccccc1COC(=O)C1CCC1 ZINC000003258446 175331908 /nfs/dbraw/zinc/33/19/08/175331908.db2.gz CTGUHVUTMUVGCB-UHFFFAOYSA-N 0 0 220.268 2.539 50 0 BFAARN COc1ccccc1OC(=O)c1cccs1 ZINC000000338538 175341141 /nfs/dbraw/zinc/34/11/41/175341141.db2.gz LCVPOIWPINSTGT-UHFFFAOYSA-N 0 0 234.276 2.976 50 0 BFAARN COc1ccccc1[C@@H](C)NC(=O)c1ccoc1 ZINC000012921886 175344671 /nfs/dbraw/zinc/34/46/71/175344671.db2.gz JAOYFYNSZBQETP-SNVBAGLBSA-N 0 0 245.278 2.779 50 0 BFAARN COc1ccccc1[C@@H](C)NC(=O)C(C)(C)C ZINC000058266897 175345404 /nfs/dbraw/zinc/34/54/04/175345404.db2.gz HJGQWBNHCIMIMH-SNVBAGLBSA-N 0 0 235.327 2.919 50 0 BFAARN COc1ccccc1[C@@H](C)Nc1nccc(C)n1 ZINC000095398895 175346102 /nfs/dbraw/zinc/34/61/02/175346102.db2.gz GBXJETXKRFMMNG-LLVKDONJSA-N 0 0 243.310 2.967 50 0 BFAARN COc1cccnc1-c1cccc(NC(C)=O)c1 ZINC000032511600 175356541 /nfs/dbraw/zinc/35/65/41/175356541.db2.gz BBYDARPTYVVVBV-UHFFFAOYSA-N 0 0 242.278 2.716 50 0 BFAARN COc1ccnc(Cl)c1Br ZINC000038813030 175361395 /nfs/dbraw/zinc/36/13/95/175361395.db2.gz WNCWAYKQILUYEO-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN COc1ccnc(NC(=O)c2cscc2C)c1 ZINC000089985190 175363200 /nfs/dbraw/zinc/36/32/00/175363200.db2.gz XUYPALKKYSUDEO-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 BFAARN COc1ccnc(NC2CCCCCC2)n1 ZINC000162294083 175364829 /nfs/dbraw/zinc/36/48/29/175364829.db2.gz RZYNENUVIFDYND-UHFFFAOYSA-N 0 0 221.304 2.620 50 0 BFAARN COc1ncnc2c3cc(C)c(C)nc3sc21 ZINC000012323146 175414534 /nfs/dbraw/zinc/41/45/34/175414534.db2.gz BMZLINDNWNHAIU-UHFFFAOYSA-N 0 0 245.307 2.865 50 0 BFAARN CSCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000032819590 175456688 /nfs/dbraw/zinc/45/66/88/175456688.db2.gz LNNPJHCRDUFQKP-QWRGUYRKSA-N 0 0 227.373 2.531 50 0 BFAARN CSCCCNC(=O)NCCC1=CCCC1 ZINC000095435256 175485012 /nfs/dbraw/zinc/48/50/12/175485012.db2.gz QQCIEBSIYDKEMW-UHFFFAOYSA-N 0 0 242.388 2.539 50 0 BFAARN CSCCc1cnc2ccccc2n1 ZINC000004671337 175509074 /nfs/dbraw/zinc/50/90/74/175509074.db2.gz NKYXSWNUJXSNGK-UHFFFAOYSA-N 0 0 204.298 2.535 50 0 BFAARN CS[C@@H]1CCC[C@@H](Nc2cnccn2)C1 ZINC000227358081 175548368 /nfs/dbraw/zinc/54/83/68/175548368.db2.gz BOWKSLVJJFNLCO-NXEZZACHSA-N 0 0 223.345 2.563 50 0 BFAARN CS[C@H](C)C(=O)N(C)Cc1sccc1C ZINC000042848125 175553740 /nfs/dbraw/zinc/55/37/40/175553740.db2.gz AGUINXCCNBGPQM-SECBINFHSA-N 0 0 243.397 2.766 50 0 BFAARN CSc1cccc(NC(=O)c2cc(C)on2)c1 ZINC000009452124 175580391 /nfs/dbraw/zinc/58/03/91/175580391.db2.gz DMRGHNVHXWJKDT-UHFFFAOYSA-N 0 0 248.307 2.957 50 0 BFAARN CSc1ccccc1C(=O)NC(C)C ZINC000000582697 175582232 /nfs/dbraw/zinc/58/22/32/175582232.db2.gz FDFQXELCRJEEKO-UHFFFAOYSA-N 0 0 209.314 2.547 50 0 BFAARN C[C@@H](NC(=O)Nc1ccccc1)c1cccnc1 ZINC000010262233 175840665 /nfs/dbraw/zinc/84/06/65/175840665.db2.gz IILJYEZVSQDMNU-LLVKDONJSA-N 0 0 241.294 2.964 50 0 BFAARN C[C@@H](NC(=O)c1ccccc1)c1ccccn1 ZINC000028781106 175850895 /nfs/dbraw/zinc/85/08/95/175850895.db2.gz ORQVRJRSJJITNK-LLVKDONJSA-N 0 0 226.279 2.573 50 0 BFAARN C[C@@H](O)c1ccc(-c2ccc(C(N)=O)cc2)cc1 ZINC000067856801 175998472 /nfs/dbraw/zinc/99/84/72/175998472.db2.gz NWTAIEMQPCNGRE-SNVBAGLBSA-N 0 0 241.290 2.506 50 0 BFAARN C[C@@H](O)c1ccccc1OC(F)(F)F ZINC000015442973 176000013 /nfs/dbraw/zinc/00/00/13/176000013.db2.gz LWOXLMRGAQEYMM-ZCFIWIBFSA-N 0 0 206.163 2.639 50 0 BFAARN C[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC1CCC1 ZINC000237626323 176020373 /nfs/dbraw/zinc/02/03/73/176020373.db2.gz AWUSRMAGFUYQDU-LBPRGKRZSA-N 0 0 247.338 2.934 50 0 BFAARN C[C@@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc21 ZINC000071916450 176067835 /nfs/dbraw/zinc/06/78/35/176067835.db2.gz KQIIKRRNZJYVDH-BXUZGUMPSA-N 0 0 229.323 2.727 50 0 BFAARN C[C@@H]1CCCC[N@@H+]1[C@H](C(=O)[O-])c1ccccc1 ZINC000004294708 176075869 /nfs/dbraw/zinc/07/58/69/176075869.db2.gz PIIALDQBBNGPDU-YPMHNXCESA-N 0 0 233.311 2.687 50 0 BFAARN C[C@@H]1CCCC[C@@H]1NC1N=NC(=S)S1 ZINC000006382219 176082305 /nfs/dbraw/zinc/08/23/05/176082305.db2.gz VPEXGPZGXPUORY-RQJHMYQMSA-N 0 0 229.374 2.817 50 0 BFAARN C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccn1 ZINC000043046649 176087770 /nfs/dbraw/zinc/08/77/70/176087770.db2.gz RUGIGKJIFDGPIU-GHMZBOCLSA-N 0 0 233.315 2.782 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000032731159 176095190 /nfs/dbraw/zinc/09/51/90/176095190.db2.gz KRZPIBRRJAQRDI-SECBINFHSA-N 0 0 209.314 2.620 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000000172455 176095715 /nfs/dbraw/zinc/09/57/15/176095715.db2.gz XQMMCJOEGKKEBJ-SECBINFHSA-N 0 0 209.314 2.620 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000001480335 176095744 /nfs/dbraw/zinc/09/57/44/176095744.db2.gz KXEVGKCOPOYOFG-LLVKDONJSA-N 0 0 203.285 2.559 50 0 BFAARN C[C@@H]1CCCN1c1cc(Cl)nc(Cl)n1 ZINC000086005572 176111758 /nfs/dbraw/zinc/11/17/58/176111758.db2.gz YVFNTAQAKYNCJN-ZCFIWIBFSA-N 0 0 232.114 2.772 50 0 BFAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 ZINC000101706301 176237529 /nfs/dbraw/zinc/23/75/29/176237529.db2.gz KXMYNLHMKBLLLU-RAIGVLPGSA-N 0 0 243.306 2.612 50 0 BFAARN C[C@@H]1CCc2c(C(=O)NC3CC3)csc2C1 ZINC000017122063 176239385 /nfs/dbraw/zinc/23/93/85/176239385.db2.gz CCMVDXMDIFIBOA-MRVPVSSYSA-N 0 0 235.352 2.765 50 0 BFAARN C[C@H](C[C@@H]1OC[C@@H](C)O1)c1ccccc1 ZINC000004184272 176347579 /nfs/dbraw/zinc/34/75/79/176347579.db2.gz JVVKHPVHCMSPGX-NQBHXWOUSA-N 0 0 206.285 2.942 50 0 BFAARN C[C@@H]1CSC(SCc2ccccn2)=N1 ZINC000089522305 176349284 /nfs/dbraw/zinc/34/92/84/176349284.db2.gz SUVBIVUDUBPQJP-MRVPVSSYSA-N 0 0 224.354 2.806 50 0 BFAARN C[C@@H]1C[C@@H](O)c2cc(Br)ccc2N1 ZINC000004663563 176383352 /nfs/dbraw/zinc/38/33/52/176383352.db2.gz USYQORVUJKRYHT-LHLIQPBNSA-N 0 0 242.116 2.687 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000023584063 176386710 /nfs/dbraw/zinc/38/67/10/176386710.db2.gz KEDJQFLLRPRICD-MQOIPSKCSA-N 0 0 233.355 2.727 50 0 BFAARN C[C@@H]1c2cccn2CCN1C(=O)/C=C/C(C)(C)C ZINC000072275269 176506074 /nfs/dbraw/zinc/50/60/74/176506074.db2.gz ZQWDAGWOSUKDGQ-ABZNLYFFSA-N 0 0 246.354 2.994 50 0 BFAARN C[C@H](NC(=O)N[C@@H](C)C1CCC1)c1ccco1 ZINC000095440214 176804072 /nfs/dbraw/zinc/80/40/72/176804072.db2.gz XMSRJQXUOSFDPE-UWVGGRQHSA-N 0 0 236.315 2.828 50 0 BFAARN C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccccn1 ZINC000028780641 176807676 /nfs/dbraw/zinc/80/76/76/176807676.db2.gz FCBQPQAKQOKQMW-NWDGAFQWSA-N 0 0 230.311 2.615 50 0 BFAARN C[C@H](NCC(F)(F)F)[C@@H]1COc2ccccc21 ZINC000097112624 176835036 /nfs/dbraw/zinc/83/50/36/176835036.db2.gz WLMHYKNGEVSKHK-WPRPVWTQSA-N 0 0 245.244 2.703 50 0 BFAARN C[C@H](O)Cc1cc(F)cc(Br)c1 ZINC000072305101 177002136 /nfs/dbraw/zinc/00/21/36/177002136.db2.gz YQUVXYWQOWWRGT-LURJTMIESA-N 0 0 233.080 2.512 50 0 BFAARN C[C@H](O)c1cccc(NC(=O)c2ccco2)c1 ZINC000001017188 177017189 /nfs/dbraw/zinc/01/71/89/177017189.db2.gz USPPJXDUGDMKSQ-VIFPVBQESA-N 0 0 231.251 2.585 50 0 BFAARN C[C@H](c1nc(-c2ccccc2)n[nH]1)n1cccc1 ZINC000065529367 177052305 /nfs/dbraw/zinc/05/23/05/177052305.db2.gz ZWUZVNJQKSZOET-LLVKDONJSA-N 0 0 238.294 2.883 50 0 BFAARN C[C@@H]1c2cc(Br)ccc2NC1=O ZINC000032015136 177060144 /nfs/dbraw/zinc/06/01/44/177060144.db2.gz PKOFFHLFYJVUMQ-RXMQYKEDSA-N 0 0 226.073 2.505 50 0 BFAARN C[C@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC000006037519 177072900 /nfs/dbraw/zinc/07/29/00/177072900.db2.gz KRHYGGFLEBNTHQ-NWDGAFQWSA-N 0 0 207.317 2.744 50 0 BFAARN C[C@H]1CCCCN1C(=O)c1ccc(F)cc1F ZINC000003229851 177074129 /nfs/dbraw/zinc/07/41/29/177074129.db2.gz GKEYHHSCTGBSCU-VIFPVBQESA-N 0 0 239.265 2.979 50 0 BFAARN C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccoc1 ZINC000032787814 177087180 /nfs/dbraw/zinc/08/71/80/177087180.db2.gz ZVAFQZJUJIITQD-CMPLNLGQSA-N 0 0 221.300 2.930 50 0 BFAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccco1 ZINC000000141609 177087795 /nfs/dbraw/zinc/08/77/95/177087795.db2.gz KOISEUVREFEOEJ-VHSXEESVSA-N 0 0 207.273 2.588 50 0 BFAARN C[C@H]1CCCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC000130445716 177092296 /nfs/dbraw/zinc/09/22/96/177092296.db2.gz AATZITGSAXRFEE-STQMWFEESA-N 0 0 239.359 2.594 50 0 BFAARN C[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000032843730 177094723 /nfs/dbraw/zinc/09/47/23/177094723.db2.gz BJJIRGXHGXQQKS-RYUDHWBXSA-N 0 0 207.317 2.601 50 0 BFAARN C[C@H]1CCC[C@H](CC[N@@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000237537635 177131931 /nfs/dbraw/zinc/13/19/31/177131931.db2.gz OMAFQQGOPKTRBJ-YNEHKIRRSA-N 0 0 239.359 2.752 50 0 BFAARN C[C@H]1CCO[C@H](c2coc3ccccc3c2=O)O1 ZINC000000482565 177179383 /nfs/dbraw/zinc/17/93/83/177179383.db2.gz ADXCKCOKWMDXRE-XPTSAGLGSA-N 0 0 246.262 2.617 50 0 BFAARN C[C@H]1CCc2c(C(=O)N3CCC3)csc2C1 ZINC000032721248 177208352 /nfs/dbraw/zinc/20/83/52/177208352.db2.gz ICPFMKBREADMPN-VIFPVBQESA-N 0 0 235.352 2.719 50 0 BFAARN C[C@H]1CCc2[nH]c(=S)nc(C(F)(F)F)c2C1 ZINC000004124636 177210481 /nfs/dbraw/zinc/21/04/81/177210481.db2.gz RCFWBNFCTXKAOV-YFKPBYRVSA-N 0 0 248.273 2.909 50 0 BFAARN C[C@@H]1CN(C(=O)CCC2CCCC2)C[C@H](C)O1 ZINC000016603372 177215106 /nfs/dbraw/zinc/21/51/06/177215106.db2.gz HDNKGZNBHFWRBK-TXEJJXNPSA-N 0 0 239.359 2.593 50 0 BFAARN C[C@@H]1CN(C/C=C/c2ccccc2)C[C@H](C)O1 ZINC000023281929 177240187 /nfs/dbraw/zinc/24/01/87/177240187.db2.gz MJSOKZQNFQUZPA-YLXGSJGQSA-N 0 0 231.339 2.809 50 0 BFAARN C[C@H]1CN(C/C=C/c2ccccc2)C[C@H](C)O1 ZINC000023281932 177241402 /nfs/dbraw/zinc/24/14/02/177241402.db2.gz MJSOKZQNFQUZPA-HXUSNMGPSA-N 0 0 231.339 2.809 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)Cc2ccc(F)cc2)C1 ZINC000012492278 177311538 /nfs/dbraw/zinc/31/15/38/177311538.db2.gz REQIKLMUMQHHKZ-TXEJJXNPSA-N 0 0 249.329 2.873 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(C3CC3)on2)C1 ZINC000096997478 177311803 /nfs/dbraw/zinc/31/18/03/177311803.db2.gz XHCUPMSIAIMJBC-AOOOYVTPSA-N 0 0 248.326 2.670 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cccs2)C1 ZINC000012410433 177312315 /nfs/dbraw/zinc/31/23/15/177312315.db2.gz OCECQJAGGNFNJC-AOOOYVTPSA-N 0 0 223.341 2.866 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000012976581 177339456 /nfs/dbraw/zinc/33/94/56/177339456.db2.gz ZWSWWFLJLVFDRG-CABZTGNLSA-N 0 0 237.730 2.954 50 0 BFAARN C[C@@H]1CCN(C(=O)Nc2cccnc2)[C@@H](C)C1 ZINC000095400068 177355113 /nfs/dbraw/zinc/35/51/13/177355113.db2.gz GJLGBBVJBBFWQW-MNOVXSKESA-N 0 0 233.315 2.734 50 0 BFAARN C[C@H]1C[C@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000071853719 177377217 /nfs/dbraw/zinc/37/72/17/177377217.db2.gz LCSKOWQGWZJIGA-IONNQARKSA-N 0 0 241.693 2.751 50 0 BFAARN C[C@H]1Cc2cc(Br)ccc2N1 ZINC000008764172 177388246 /nfs/dbraw/zinc/38/82/46/177388246.db2.gz NSBOZWGQLGHLQZ-LURJTMIESA-N 0 0 212.090 2.806 50 0 BFAARN C[C@H]1Cc2ccccc2N(C(=O)NC2CC2)C1 ZINC000062093419 177389460 /nfs/dbraw/zinc/38/94/60/177389460.db2.gz MASIJMLBGZNBJP-JTQLQIEISA-N 0 0 230.311 2.557 50 0 BFAARN C[C@H]1Cc2ccccc2N1C(=O)c1cccn1C ZINC000069128194 177390578 /nfs/dbraw/zinc/39/05/78/177390578.db2.gz OEBBPLOXVQKKQB-NSHDSACASA-N 0 0 240.306 2.617 50 0 BFAARN Cc1[nH]c2ccccc2c1C(=O)NC(C)C ZINC000029484225 177512698 /nfs/dbraw/zinc/51/26/98/177512698.db2.gz AGUCLQJJEZGOPZ-UHFFFAOYSA-N 0 0 216.284 2.615 50 0 BFAARN Cc1c2cccc(F)c2oc1C(=O)N(C)C ZINC000032780769 177560047 /nfs/dbraw/zinc/56/00/47/177560047.db2.gz VQEHULIVGZLRSP-UHFFFAOYSA-N 0 0 221.231 2.582 50 0 BFAARN C[C@@]1(O)C=C[C@H](Cc2ccccc2)CC1 ZINC000045071676 262790433 /nfs/dbraw/zinc/79/04/33/262790433.db2.gz OTDQKHHEHQWPIL-UONOGXRCSA-N 0 0 202.297 2.946 50 0 BFAARN CCCc1cc(C(=O)NC2CCCCCC2)[nH]n1 ZINC000105639682 487752637 /nfs/dbraw/zinc/75/26/37/487752637.db2.gz JNDMHMCBXTYRQA-UHFFFAOYSA-N 0 0 249.358 2.815 50 0 BFAARN Cc1ccccc1[C@H]1C[C@H]1Nc1ncccn1 ZINC000077230305 487771180 /nfs/dbraw/zinc/77/11/80/487771180.db2.gz YJJDSJDIQIHMFA-CHWSQXEVSA-N 0 0 225.295 2.753 50 0 BFAARN Cc1ccccc1[C@@H]1C[C@@H]1Nc1ncccn1 ZINC000077230299 487770995 /nfs/dbraw/zinc/77/09/95/487770995.db2.gz YJJDSJDIQIHMFA-STQMWFEESA-N 0 0 225.295 2.753 50 0 BFAARN Cc1ccc([C@@]2(C(=O)N3CCC3)CC2(C)C)cc1 ZINC000299756717 487802383 /nfs/dbraw/zinc/80/23/83/487802383.db2.gz DWNJACQCWKECIH-MRXNPFEDSA-N 0 0 243.350 2.895 50 0 BFAARN CC(C)Cc1nc(Cl)cc(Cl)n1 ZINC000084691111 322960842 /nfs/dbraw/zinc/96/08/42/322960842.db2.gz IRJXGGROVGQOCR-UHFFFAOYSA-N 0 0 205.088 2.982 50 0 BFAARN Cc1noc(/C=C\c2ccc(F)cc2)c1N ZINC000083332197 487901639 /nfs/dbraw/zinc/90/16/39/487901639.db2.gz UMNAPZDTRIIIJG-DAXSKMNVSA-N 0 0 218.231 2.875 50 0 BFAARN CN(C)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000000401786 322809576 /nfs/dbraw/zinc/80/95/76/322809576.db2.gz DVRNFYCNZSSUTP-UHFFFAOYSA-N 0 0 220.316 2.737 50 0 BFAARN CC(=O)c1c(C)nc(-c2ccco2)[nH]c1=S ZINC000012505472 322819651 /nfs/dbraw/zinc/81/96/51/322819651.db2.gz OAUJZAAHQCXRAQ-UHFFFAOYSA-N 0 0 234.280 2.536 50 0 BFAARN Cc1noc(-c2cc(C)n(-c3ccccc3)n2)n1 ZINC000113743065 323191704 /nfs/dbraw/zinc/19/17/04/323191704.db2.gz DZNGGLYAJHMAKL-UHFFFAOYSA-N 0 0 240.266 2.539 50 0 BFAARN Fc1ccc(F)c(/C=C\c2ccncn2)c1 ZINC000536574367 323197863 /nfs/dbraw/zinc/19/78/63/323197863.db2.gz RXLGKNFQRXWPDO-IWQZZHSRSA-N 0 0 218.206 2.925 50 0 BFAARN COc1ccc(Nc2nnc(C)s2)cc1 ZINC000006703714 323235693 /nfs/dbraw/zinc/23/56/93/323235693.db2.gz PAWMUTKAIHCZQL-UHFFFAOYSA-N 0 0 221.285 2.599 50 0 BFAARN C[C@@]1(F)C[C@H](C(=O)OCc2ccccc2)C1 ZINC000147143825 487957789 /nfs/dbraw/zinc/95/77/89/487957789.db2.gz ZMSABYXKKSYNSC-BJHJDKERSA-N 0 0 222.259 2.868 50 0 BFAARN CN(Cc1ccc(F)cc1)C(=O)[C@H]1CC1(C)C ZINC000133790281 325319958 /nfs/dbraw/zinc/31/99/58/325319958.db2.gz ASDLDIJHNWPNFP-GFCCVEGCSA-N 0 0 235.302 2.830 50 0 BFAARN CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC1(C)C ZINC000133790494 325319989 /nfs/dbraw/zinc/31/99/89/325319989.db2.gz ASDLDIJHNWPNFP-LBPRGKRZSA-N 0 0 235.302 2.830 50 0 BFAARN CCOC(=O)Cc1c(C)n(C)c2ccccc21 ZINC000039216748 487971804 /nfs/dbraw/zinc/97/18/04/487971804.db2.gz UWRTXUCMYDYSJV-UHFFFAOYSA-N 0 0 231.295 2.592 50 0 BFAARN CCc1nc(CC)n(Cc2ncc(C(C)C)o2)n1 ZINC000084490010 488054526 /nfs/dbraw/zinc/05/45/26/488054526.db2.gz OIEPCHBZPFNHHP-UHFFFAOYSA-N 0 0 248.330 2.563 50 0 BFAARN Cc1cnc([C@@H](C)N2CCC[C@](C)(F)C2)o1 ZINC000336275368 487537645 /nfs/dbraw/zinc/53/76/45/487537645.db2.gz IZUBONNENREMDT-PWSUYJOCSA-N 0 0 226.295 2.868 50 0 BFAARN C[Si](C)(C)C1(COC(=O)C(F)(F)F)CC1 ZINC000169829414 487548073 /nfs/dbraw/zinc/54/80/73/487548073.db2.gz KRCAFFQASJRFJF-UHFFFAOYSA-N 0 0 240.297 2.964 50 0 BFAARN O=C1CCC2(CC1)NN=C(c1ccccc1)S2 ZINC000670431813 487484413 /nfs/dbraw/zinc/48/44/13/487484413.db2.gz TYVMYCYQIYTSKZ-UHFFFAOYSA-N 0 0 246.335 2.524 50 0 BFAARN Cc1cccc(OC2CN([C@H]3CCSC3)C2)c1 ZINC000670453910 487506846 /nfs/dbraw/zinc/50/68/46/487506846.db2.gz VKQJEALSXHCDNC-LBPRGKRZSA-N 0 0 249.379 2.564 50 0 BFAARN CC(C)(C)C(=O)Nc1nc2ccccc2[nH]1 ZINC000005900822 487521613 /nfs/dbraw/zinc/52/16/13/487521613.db2.gz GQPZEKSQGMRKGU-UHFFFAOYSA-N 0 0 217.272 2.548 50 0 BFAARN Cc1cc([C@@H](C)NCc2cccnc2C)no1 ZINC000669686777 487648232 /nfs/dbraw/zinc/64/82/32/487648232.db2.gz LKNHCBGEUPFJAG-LLVKDONJSA-N 0 0 231.299 2.537 50 0 BFAARN Cc1csc(C[S@](=O)CC2CCCC2)n1 ZINC000097033791 490305250 /nfs/dbraw/zinc/30/52/50/490305250.db2.gz QNDQFCBNVZRNOR-HNNXBMFYSA-N 0 0 243.397 2.890 50 0 BFAARN COc1ccc(OCCCn2ccc(C)n2)cc1 ZINC000097103808 491125104 /nfs/dbraw/zinc/12/51/04/491125104.db2.gz DOSUOGYHLGSVEW-UHFFFAOYSA-N 0 0 246.310 2.669 50 0 BFAARN COC(=O)c1cccc(C(F)(F)F)c1F ZINC000044199506 518029151 /nfs/dbraw/zinc/02/91/51/518029151.db2.gz XOUMAABXMXACFQ-UHFFFAOYSA-N 0 0 222.137 2.631 50 0 BFAARN CCCOCCCn1ccnc1-c1ccco1 ZINC000072478448 520253522 /nfs/dbraw/zinc/25/35/22/520253522.db2.gz LXKLDNGAGBXTIU-UHFFFAOYSA-N 0 0 234.299 2.960 50 0 BFAARN CCC[C@@H]1CCCN(C(=O)c2cccc(N)c2)C1 ZINC000178615406 520824126 /nfs/dbraw/zinc/82/41/26/520824126.db2.gz AIQGLKUUFQBFFD-GFCCVEGCSA-N 0 0 246.354 2.921 50 0 BFAARN CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1 ZINC000002856639 521049736 /nfs/dbraw/zinc/04/97/36/521049736.db2.gz XKBSFTRUJWQJAH-NWDGAFQWSA-N 0 0 235.327 2.759 50 0 BFAARN CCSCC(=O)NCC1(c2ccccc2)CC1 ZINC000078555762 521695317 /nfs/dbraw/zinc/69/53/17/521695317.db2.gz LFFUXIAKQIQHFE-UHFFFAOYSA-N 0 0 249.379 2.588 50 0 BFAARN COCc1cc(NCCC2=CCCCC2)ncn1 ZINC000091663716 522932544 /nfs/dbraw/zinc/93/25/44/522932544.db2.gz VNXQAHQRDIZGAS-UHFFFAOYSA-N 0 0 247.342 2.925 50 0 BFAARN CCc1ccc(CNc2ccc(CO)cn2)cc1 ZINC000253416073 523947691 /nfs/dbraw/zinc/94/76/91/523947691.db2.gz WCEUEJABIAOXII-UHFFFAOYSA-N 0 0 242.322 2.748 50 0 BFAARN COc1ccccc1C[C@H](C)CC(=O)NC(C)C ZINC000071884520 524506213 /nfs/dbraw/zinc/50/62/13/524506213.db2.gz UWMMYMXTALBBAH-LBPRGKRZSA-N 0 0 249.354 2.789 50 0 BFAARN Cc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000013549269 524534462 /nfs/dbraw/zinc/53/44/62/524534462.db2.gz PSKSWJCLXCHTTR-CHWSQXEVSA-N 0 0 243.306 2.675 50 0 BFAARN COc1ccccc1OCc1nc(C(C)C)no1 ZINC000069630425 524686434 /nfs/dbraw/zinc/68/64/34/524686434.db2.gz JAYFHLPJNHFKPO-UHFFFAOYSA-N 0 0 248.282 2.781 50 0 BFAARN C[C@H](Cc1ccccc1F)NC(=O)[C@@H]1C[C@H]1C ZINC000249756981 524739530 /nfs/dbraw/zinc/73/95/30/524739530.db2.gz ILELVXDFDGCZKN-CKYFFXLPSA-N 0 0 235.302 2.529 50 0 BFAARN C[C@H](Cc1ccco1)NC(=O)Cc1cccs1 ZINC000040510253 524743877 /nfs/dbraw/zinc/74/38/77/524743877.db2.gz UKFURQHTLGVGCJ-SNVBAGLBSA-N 0 0 249.335 2.631 50 0 BFAARN C[C@@H](Cc1ccco1)NC(=O)Cc1cccs1 ZINC000040510251 524926741 /nfs/dbraw/zinc/92/67/41/524926741.db2.gz UKFURQHTLGVGCJ-JTQLQIEISA-N 0 0 249.335 2.631 50 0 BFAARN CSC1(CNc2ccccn2)CCC1 ZINC000227986565 525342077 /nfs/dbraw/zinc/34/20/77/525342077.db2.gz WICLNSSSZOKOBL-UHFFFAOYSA-N 0 0 208.330 2.779 50 0 BFAARN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cn[nH]c1 ZINC000246211517 525354459 /nfs/dbraw/zinc/35/44/59/525354459.db2.gz XZPJHYVGRPNBKF-JFGNBEQYSA-N 0 0 248.330 2.595 50 0 BFAARN C[S@@](=O)/C(Cl)=C/c1cccs1 ZINC000252508108 525360609 /nfs/dbraw/zinc/36/06/09/525360609.db2.gz XDCGAOUMMVCFIZ-OKPNEXGHSA-N 0 0 206.719 2.664 50 0 BFAARN C[C@@H](SCCc1ccccc1)C(=O)NC1CC1 ZINC000095431609 525974915 /nfs/dbraw/zinc/97/49/15/525974915.db2.gz BLDYTTQVXBMCCM-LLVKDONJSA-N 0 0 249.379 2.629 50 0 BFAARN O=C(CC[C@H]1CCCO1)NCC1CCCCC1 ZINC000040505996 526571431 /nfs/dbraw/zinc/57/14/31/526571431.db2.gz MEFYONSHTKZIPZ-CYBMUJFWSA-N 0 0 239.359 2.642 50 0 BFAARN Cc1nc(COc2nc(C(C)C)no2)cs1 ZINC000071886144 526910929 /nfs/dbraw/zinc/91/09/29/526910929.db2.gz FGIDOVHOOXVPFR-UHFFFAOYSA-N 0 0 239.300 2.537 50 0 BFAARN NC(=O)Cc1cccc(OCCC2CCCC2)c1 ZINC000187131740 526911424 /nfs/dbraw/zinc/91/14/24/526911424.db2.gz FMLMSACSARYNFS-UHFFFAOYSA-N 0 0 247.338 2.674 50 0 BFAARN O=C(COc1ccccc1)NCC1=CCCCC1 ZINC000072442287 526984061 /nfs/dbraw/zinc/98/40/61/526984061.db2.gz JXDFCTYFGBUUOV-UHFFFAOYSA-N 0 0 245.322 2.682 50 0 BFAARN O=C(NCC1CC1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000058341073 527597148 /nfs/dbraw/zinc/59/71/48/527597148.db2.gz ISCDKVGXFKQCPH-QWHCGFSZSA-N 0 0 249.741 2.970 50 0 BFAARN CCOC(=O)c1cc(C)c(Cl)nc1Cl ZINC000001017278 528156403 /nfs/dbraw/zinc/15/64/03/528156403.db2.gz BMJQJBGNFQXCJC-UHFFFAOYSA-N 0 0 234.082 2.874 50 0 BFAARN CCC(=O)N1CCC(CC(F)(F)F)CC1 ZINC000335940411 535296179 /nfs/dbraw/zinc/29/61/79/535296179.db2.gz GKRMNEWKVBMSBZ-UHFFFAOYSA-N 0 0 223.238 2.587 50 0 BFAARN Cc1ncccc1CNc1ccc2n[nH]cc2c1 ZINC000095440143 538027737 /nfs/dbraw/zinc/02/77/37/538027737.db2.gz UITQPOSXROVECE-UHFFFAOYSA-N 0 0 238.294 2.878 50 0 BFAARN Cc1sc(CO)nc1-c1ccc(F)cc1F ZINC000078999122 566316094 /nfs/dbraw/zinc/31/60/94/566316094.db2.gz HVFPECVEMXWZJU-UHFFFAOYSA-N 0 0 241.262 2.889 50 0 BFAARN O=S(c1ccccc1)c1ccccc1 ZINC000000013563 560176807 /nfs/dbraw/zinc/17/68/07/560176807.db2.gz JJHHIJFTHRNPIK-UHFFFAOYSA-N 0 0 202.278 2.853 50 0 in-vitro BFAARN O=C(OCc1ccccc1)c1ccccc1O ZINC000000388079 574410992 /nfs/dbraw/zinc/41/09/92/574410992.db2.gz ZCTQGTTXIYCGGC-UHFFFAOYSA-N 0 0 228.247 2.749 50 0 endogenous,in-man BFAARN CC[C@@H]1CCC(O)=C(C(=O)C(C)(C)C)C1 ZINC000043651535 582805604 /nfs/dbraw/zinc/80/56/04/582805604.db2.gz QVYXQKLUNDWERF-NXEZZACHSA-N 0 0 210.317 2.997 50 0 BFAARN C=CC(=O)N(C)C1CC(c2ccccc2)C1 ZINC000888102268 583182863 /nfs/dbraw/zinc/18/28/63/583182863.db2.gz SUEFKKOJQQNVLX-UHFFFAOYSA-N 0 0 215.296 2.577 50 0 BFAARN C=CC(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000791324133 585977347 /nfs/dbraw/zinc/97/73/47/585977347.db2.gz UOTQOMDLQVADHT-SNVBAGLBSA-N 0 0 237.299 2.665 50 0 BFAARN C=CC(=O)N1CCCc2cc(Cl)ccc21 ZINC000848979611 588423331 /nfs/dbraw/zinc/42/33/31/588423331.db2.gz SUKPNHBUUZZLEM-UHFFFAOYSA-N 0 0 221.687 2.805 50 0 BFAARN CC[C@H](SC)c1nc(-c2nc(C)c[nH]2)no1 ZINC000864096517 589345018 /nfs/dbraw/zinc/34/50/18/589345018.db2.gz CCSFJWFNTNHUTN-ZETCQYMHSA-N 0 0 238.316 2.582 50 0 BFAARN CC(C)(C)c1noc(-c2ccc3nc[nH]c3c2)n1 ZINC000874435005 590110218 /nfs/dbraw/zinc/11/02/18/590110218.db2.gz IZMMRYDYQGRGMM-UHFFFAOYSA-N 0 0 242.282 2.910 50 0 BFAARN CS/C=C\C(=O)N(C)[C@H](C)c1ccco1 ZINC000104269878 592610056 /nfs/dbraw/zinc/61/00/56/592610056.db2.gz WZYQEFOBYBZVEP-JGAIRUGNSA-N 0 0 225.313 2.676 50 0 BFAARN Cc1cccc(C=Cc2nccc(=O)[nH]2)c1C ZINC000098052968 631682379 /nfs/dbraw/zinc/68/23/79/631682379.db2.gz NPSVUEWSTFBHCI-SREVYHEPSA-N 0 0 226.279 2.557 50 0 BFAARN CC(=O)c1coc2cc(Cl)ccc2c1=O ZINC000002748009 631713688 /nfs/dbraw/zinc/71/36/88/631713688.db2.gz RUSSGMKKJXFINL-UHFFFAOYSA-N 0 0 222.627 2.649 50 0 BFAARN COC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000023114777 632041254 /nfs/dbraw/zinc/04/12/54/632041254.db2.gz SHYPZZTUMQRPLL-UHFFFAOYSA-N 0 0 245.303 2.501 50 0 BFAARN C[C@@H](CCc1ccc(O)cc1)NN1CCCCC1 ZINC000023282483 632779419 /nfs/dbraw/zinc/77/94/19/632779419.db2.gz ZSKXVNJNYHKUOH-ZDUSSCGKSA-N 0 0 248.370 2.704 50 0 BFAARN CC1(C)CN(C(=O)c2cc(C3CC3)on2)C1(C)C ZINC000080404570 633168234 /nfs/dbraw/zinc/16/82/34/633168234.db2.gz NQCKOHBMFAZNEM-UHFFFAOYSA-N 0 0 248.326 2.813 50 0 BFAARN Cc1cc2cc3oc(=O)cc(C)c3cc2n1C ZINC000005092039 635209294 /nfs/dbraw/zinc/20/92/94/635209294.db2.gz JZKCOWNELQDERA-UHFFFAOYSA-N 0 0 227.263 2.902 50 0 BFAARN c1cn2cc(-c3ccc4c(c3)CCN4)ccc2n1 ZINC000888096059 635367194 /nfs/dbraw/zinc/36/71/94/635367194.db2.gz QKDALTKGVGDNMK-UHFFFAOYSA-N 0 0 235.290 2.969 50 0 BFAARN C=CC(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000888098421 635376362 /nfs/dbraw/zinc/37/63/62/635376362.db2.gz FLFNMNQPAYQWQQ-SECBINFHSA-N 0 0 247.260 2.754 50 0 BFAARN C=CC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000888098422 635376872 /nfs/dbraw/zinc/37/68/72/635376872.db2.gz FLFNMNQPAYQWQQ-VIFPVBQESA-N 0 0 247.260 2.754 50 0 BFAARN CC(C)n1cc2nc(Cl)nc(Cl)c2n1 ZINC000169798991 636540082 /nfs/dbraw/zinc/54/00/82/636540082.db2.gz MHAKTMYTHHJMBC-UHFFFAOYSA-N 0 0 231.086 2.714 50 0 BFAARN CCOC(=O)/C=C/c1ccc(C)c(C)c1 ZINC000039283065 641259721 /nfs/dbraw/zinc/25/97/21/641259721.db2.gz ADRUWJVOVDGHFD-BQYQJAHWSA-N 0 0 204.269 2.880 50 0 BFAARN CCC[C@H](C)C[NH2+][C@@H](CC(C)C)C(=O)[O-] ZINC000043432823 641564126 /nfs/dbraw/zinc/56/41/26/641564126.db2.gz YWROCUZPDHDFNE-QWRGUYRKSA-N 0 0 215.337 2.512 50 0 BFAARN O=C(/C=C\c1cccs1)NCc1ccco1 ZINC000032175384 641760041 /nfs/dbraw/zinc/76/00/41/641760041.db2.gz LJGPHOBCMNGYGQ-WAYWQWQTSA-N 0 0 233.292 2.671 50 0 BFAARN O=c1ccoc2ccc(C(F)(F)F)cc12 ZINC000075881984 641777793 /nfs/dbraw/zinc/77/77/93/641777793.db2.gz DIFFFMMURDMFNR-UHFFFAOYSA-N 0 0 214.142 2.812 50 0 BFAARN CCCCSC[C@@H](O)COc1ccccc1 ZINC000002494070 642397578 /nfs/dbraw/zinc/39/75/78/642397578.db2.gz AOPMMDJCCHLNPJ-LBPRGKRZSA-N 0 0 240.368 2.960 50 0 BFAARN c1ccc(C2=NNC=N[C@H]2c2ccccc2)cc1 ZINC000000185579 642750566 /nfs/dbraw/zinc/75/05/66/642750566.db2.gz GTBHCDUCDCRFSO-AWEZNQCLSA-N 0 0 235.290 2.764 50 0 BFAARN CC(C)(C)C(=O)C[C@@](C)(O)c1ccccc1 ZINC000000436886 642773521 /nfs/dbraw/zinc/77/35/21/642773521.db2.gz MJVVTTZERBQOJR-CQSZACIVSA-N 0 0 220.312 2.899 50 0 BFAARN C[C@@H]1S[C@H](c2ccccc2Cl)NC1=O ZINC000000444570 642773717 /nfs/dbraw/zinc/77/37/17/642773717.db2.gz BYOSTEFUXFDWRR-QUBYGPBYSA-N 0 0 227.716 2.590 50 0 BFAARN O=C1C[C@@H](c2ccccc2)c2cc(O)ccc2O1 ZINC000000436523 642775518 /nfs/dbraw/zinc/77/55/18/642775518.db2.gz CTYPLGFAIKYKIV-LBPRGKRZSA-N 0 0 240.258 2.833 50 0 BFAARN Cc1ccc(OC[C@H](C)NC(=O)C(C)C)cc1C ZINC000072119334 643213445 /nfs/dbraw/zinc/21/34/45/643213445.db2.gz KZGWIPJMOIGLCW-ZDUSSCGKSA-N 0 0 249.354 2.843 50 0 BFAARN S=c1[nH]nc(C=Cc2ccccc2)[nH]1 ZINC000083302597 643530980 /nfs/dbraw/zinc/53/09/80/643530980.db2.gz ALHGVKAIXXQXJE-SREVYHEPSA-N 0 0 203.270 2.638 50 0 BFAARN CCC[C@H]1CCN(C(=O)Nc2cccnc2)C1 ZINC000072932289 643594056 /nfs/dbraw/zinc/59/40/56/643594056.db2.gz OIHFORWJEAJTOZ-NSHDSACASA-N 0 0 233.315 2.736 50 0 BFAARN CC(=O)c1c(C)c(Br)c(C)cc1O ZINC000082307725 644366704 /nfs/dbraw/zinc/36/67/04/644366704.db2.gz LTUGFRGGXSVAPI-UHFFFAOYSA-N 0 0 243.100 2.974 50 0 BFAARN CC(=O)Nc1ccc(C)cc1NC(=O)C1(C)CC1 ZINC000952984651 644448925 /nfs/dbraw/zinc/44/89/25/644448925.db2.gz QGNPLWVBGGKFBP-UHFFFAOYSA-N 0 0 246.310 2.692 50 0 BFAARN Cc1cccc2c1c(-c1ccncc1)nn2C ZINC000952987606 644450012 /nfs/dbraw/zinc/45/00/12/644450012.db2.gz KHBJHTHFQWHBNM-UHFFFAOYSA-N 0 0 223.279 2.944 50 0 BFAARN C[C@@H](C(=O)Nc1ccccc1)n1cccc1 ZINC000108657865 645912443 /nfs/dbraw/zinc/91/24/43/645912443.db2.gz DEYPYRIMJLZUJK-NSHDSACASA-N 0 0 214.268 2.688 50 0 BFAARN COCCc1ccc(O)c(C(=O)C(C)(C)C)c1 ZINC000052068564 711603116 /nfs/dbraw/zinc/60/31/16/711603116.db2.gz JXUOVEGGUXHMPU-UHFFFAOYSA-N 0 0 236.311 2.810 50 0 BFAARN Cc1cc(-c2ccc3ncccc3c2)nc(N)n1 ZINC000020538034 711468398 /nfs/dbraw/zinc/46/83/98/711468398.db2.gz GAKBVPNQXWOTGD-UHFFFAOYSA-N 0 0 236.278 2.582 50 0 BFAARN Cc1cc2n(n1)S[C@H](Nc1ccccc1C)N2 ZINC000006969282 711766188 /nfs/dbraw/zinc/76/61/88/711766188.db2.gz IXAGUZYMLMKWCO-GFCCVEGCSA-N 0 0 246.339 2.817 50 0 BFAARN Clc1cccnc1O[C@H]1CCSC1 ZINC000585655162 973922968 /nfs/dbraw/zinc/92/29/68/973922968.db2.gz VOEFEUDVWJPYGV-ZETCQYMHSA-N 0 0 215.705 2.619 50 0 BFAARN FC(F)(F)c1cccc(O[C@@H]2CCSC2)n1 ZINC000585654215 973926045 /nfs/dbraw/zinc/92/60/45/973926045.db2.gz FIOVKFITDBTTPE-SSDOTTSWSA-N 0 0 249.257 2.985 50 0 BFAARN FC(F)=C1CCN(Cc2cscn2)CC1 ZINC000585117043 972147384 /nfs/dbraw/zinc/14/73/84/972147384.db2.gz PVDGVDWHKHQERB-UHFFFAOYSA-N 0 0 230.283 2.890 50 0 BFAARN COCc1noc(-c2ccc(C)nc2C(C)C)n1 ZINC000585133681 972167419 /nfs/dbraw/zinc/16/74/19/972167419.db2.gz QMCSXGSRMUDKIR-UHFFFAOYSA-N 0 0 247.298 2.710 50 0 BFAARN COc1cccc(/C=C\c2ccncn2)c1F ZINC000588619270 959632306 /nfs/dbraw/zinc/63/23/06/959632306.db2.gz WJEUFJOSIREAOG-WAYWQWQTSA-N 0 0 230.242 2.795 50 0 BFAARN CC[C@@H](Cn1cncn1)Nc1ccc(C)c(C)c1 ZINC000888095528 961248245 /nfs/dbraw/zinc/24/82/45/961248245.db2.gz LZLGUWLXKWWMPC-ZDUSSCGKSA-N 0 0 244.342 2.786 50 0 BFAARN CC[C@@H](C)n1cnc2c(C)cc(C)cc2c1=O ZINC000199303432 963543959 /nfs/dbraw/zinc/54/39/59/963543959.db2.gz LUOWYPXFIORFRJ-LLVKDONJSA-N 0 0 230.311 2.984 50 0 BFAARN C=CC(=O)N1CCc2ccccc2[C@@H]1CC ZINC000213258405 966253186 /nfs/dbraw/zinc/25/31/86/966253186.db2.gz BDELVASBGBPBII-ZDUSSCGKSA-N 0 0 215.296 2.708 50 0 BFAARN Fc1cccc(/C=C/Br)n1 ZINC000685964526 968090871 /nfs/dbraw/zinc/09/08/71/968090871.db2.gz KXXXOHDHDDHFMW-SNAWJCMRSA-N 0 0 202.026 2.586 50 0 BFAARN CC[C@H](OC)c1ncnn1CCc1ccccc1 ZINC000822667812 968532402 /nfs/dbraw/zinc/53/24/02/968532402.db2.gz NNAKCRDVBJZWDQ-ZDUSSCGKSA-N 0 0 245.326 2.618 50 0 BFAARN CNc1ccnc(NC[C@@H]2CC23CCCCC3)n1 ZINC000824084025 968574963 /nfs/dbraw/zinc/57/49/63/968574963.db2.gz NQQIPWXWVVYDSN-NSHDSACASA-N 0 0 246.358 2.901 50 0 BFAARN Cc1ccc(O[C@H]2CCc3ccccc32)nn1 ZINC000585652025 973916810 /nfs/dbraw/zinc/91/68/10/973916810.db2.gz UUUYCVOMXKBIFV-ZDUSSCGKSA-N 0 0 226.279 2.851 50 0 BFAARN c1csc(OC[C@@H]2OCCc3ccccc32)n1 ZINC000585650683 973920123 /nfs/dbraw/zinc/92/01/23/973920123.db2.gz DHAXAUHLHSHMJC-LBPRGKRZSA-N 0 0 247.319 2.836 50 0 BFAARN Clc1cccnc1OC[C@@H]1CCCOC1 ZINC000585655015 973924974 /nfs/dbraw/zinc/92/49/74/973924974.db2.gz QRYZCLHEJGGZIN-SECBINFHSA-N 0 0 227.691 2.540 50 0 BFAARN c1ccc2oc(O[C@H]3CCSC3)nc2c1 ZINC000585654630 973928606 /nfs/dbraw/zinc/92/86/06/973928606.db2.gz KBHFCSWOKNRCML-QMMMGPOBSA-N 0 0 221.281 2.712 50 0 BFAARN Cc1nc(COC(C)C)n(-c2ccccc2C)n1 ZINC000952869202 974053658 /nfs/dbraw/zinc/05/36/58/974053658.db2.gz YKSPRGNYZRDVOJ-UHFFFAOYSA-N 0 0 245.326 2.809 50 0 BFAARN C=CC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 ZINC000952888101 974067269 /nfs/dbraw/zinc/06/72/69/974067269.db2.gz MMYKGASHAHTIBK-ZDUSSCGKSA-N 0 0 215.296 2.782 50 0 BFAARN Cc1cccc(Nc2cc(C)nc(C)n2)n1 ZINC000888107050 987311425 /nfs/dbraw/zinc/31/14/25/987311425.db2.gz RUKTVRQECPYLJW-UHFFFAOYSA-N 0 0 214.272 2.540 50 0 BFAARN CCC(CC)n1nccc1NC(=O)c1ccc[nH]1 ZINC001506397937 988770803 /nfs/dbraw/zinc/77/08/03/988770803.db2.gz ZITJWQQHNCTCHT-UHFFFAOYSA-N 0 0 246.314 2.825 50 0 BFAARN Cc1cccnc1N1CCO[C@@H](CC(C)C)C1 ZINC001506402810 988772652 /nfs/dbraw/zinc/77/26/52/988772652.db2.gz LZCMSAXVWZRHNJ-ZDUSSCGKSA-N 0 0 234.343 2.641 50 0 BFAARN Cc1cccnc1N1CCO[C@H](CC(C)C)C1 ZINC001506402809 988773224 /nfs/dbraw/zinc/77/32/24/988773224.db2.gz LZCMSAXVWZRHNJ-CYBMUJFWSA-N 0 0 234.343 2.641 50 0 BFAARN Fc1cc2cccnc2c(-c2ncccn2)c1 ZINC001506395858 988774579 /nfs/dbraw/zinc/77/45/79/988774579.db2.gz ACASPLXLBFCSQT-UHFFFAOYSA-N 0 0 225.226 2.831 50 0 BFAARN CCN(Cc1ccc(C)o1)Cc1cnc(C)cn1 ZINC001506416696 988776963 /nfs/dbraw/zinc/77/69/63/988776963.db2.gz KOYBQHFGUFIQQP-UHFFFAOYSA-N 0 0 245.326 2.709 50 0 BFAARN CCc1c(-c2cc(C)ccc2OC)cnn1C ZINC001506418083 988780848 /nfs/dbraw/zinc/78/08/48/988780848.db2.gz OKKNDWAQXUCBRN-UHFFFAOYSA-N 0 0 230.311 2.967 50 0 BFAARN CO[C@H](C)c1ccc(-c2cc(=O)[nH]cn2)cc1 ZINC001506420203 988781658 /nfs/dbraw/zinc/78/16/58/988781658.db2.gz YEPGEMHYNZGSDG-SECBINFHSA-N 0 0 230.267 2.557 50 0 BFAARN CCC1(CC)C[C@H]1CNc1ncc(C)c(N)n1 ZINC001529168039 990336368 /nfs/dbraw/zinc/33/63/68/990336368.db2.gz URLKOOIPJOVAGJ-JTQLQIEISA-N 0 0 234.347 2.605 50 0 BFAARN Cc1cc(C)n(CCc2ccccc2)n1 ZINC000000752025 177930332 /nfs/dbraw/zinc/93/03/32/177930332.db2.gz ZYKFIMCOEFWOPW-UHFFFAOYSA-N 0 0 200.285 2.743 50 0 BFAARN CCC(CC)(CC)SCCC(N)=O ZINC000191932205 168318717 /nfs/dbraw/zinc/31/87/17/168318717.db2.gz FYMSQYNOCKSMIO-UHFFFAOYSA-N 0 0 203.351 2.564 50 0 BFAARN CCC(CC)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000002764619 168335855 /nfs/dbraw/zinc/33/58/55/168335855.db2.gz UYYYTCYXIRSCDM-GHMZBOCLSA-N 0 0 211.349 2.927 50 0 BFAARN CCOc1ccc(C(F)(F)F)cc1O ZINC000071445366 398150999 /nfs/dbraw/zinc/15/09/99/398150999.db2.gz SZEXGMNVFASRPV-UHFFFAOYSA-N 0 0 206.163 2.810 50 0 BFAARN Cc1cc(CN2C[C@H](C)O[C@@H](C)C2)cc(C)c1O ZINC000020413077 178007373 /nfs/dbraw/zinc/00/73/73/178007373.db2.gz ATKGIAOFPRSGHG-STQMWFEESA-N 0 0 249.354 2.618 50 0 BFAARN Cc1cc(CNc2cnc3ccccc3n2)on1 ZINC000049901245 178045028 /nfs/dbraw/zinc/04/50/28/178045028.db2.gz POFJAHLBTDPOQA-UHFFFAOYSA-N 0 0 240.266 2.538 50 0 BFAARN CCC(CC)C(=O)NCCc1nc(C)cs1 ZINC000031848992 168337151 /nfs/dbraw/zinc/33/71/51/168337151.db2.gz FXBGXHCMIZRUBD-UHFFFAOYSA-N 0 0 240.372 2.546 50 0 BFAARN Cc1cc(Cl)ccc1CC1OCCO1 ZINC000043214474 178065940 /nfs/dbraw/zinc/06/59/40/178065940.db2.gz TYZOLROABCYBKT-UHFFFAOYSA-N 0 0 212.676 2.564 50 0 BFAARN Cc1cc(Cl)cnc1Br ZINC000002383990 178070468 /nfs/dbraw/zinc/07/04/68/178070468.db2.gz XEHWMXAUPXFOHZ-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN Cc1noc2ncc(-c3nnc(C(C)C)o3)cc12 ZINC000071889533 398166719 /nfs/dbraw/zinc/16/67/19/398166719.db2.gz KNQAEBLNFCDYEW-UHFFFAOYSA-N 0 0 244.254 2.705 50 0 BFAARN Cc1cc(F)c(F)cc1C(=O)N1CCCC1 ZINC000000444491 178075674 /nfs/dbraw/zinc/07/56/74/178075674.db2.gz OMNXMXCZSVIIJK-UHFFFAOYSA-N 0 0 225.238 2.509 50 0 BFAARN C[C@H](Cc1ccc(O)cc1)NC(=O)CC(C)(C)C ZINC000095427628 187325720 /nfs/dbraw/zinc/32/57/20/187325720.db2.gz UBIGPAYCQXHSJB-LLVKDONJSA-N 0 0 249.354 2.876 50 0 BFAARN Cc1cc(F)ccc1NC(=O)[C@@H](C)n1cccn1 ZINC000012849866 178088287 /nfs/dbraw/zinc/08/82/87/178088287.db2.gz XQAXGEWRNJTHAD-SNVBAGLBSA-N 0 0 247.273 2.530 50 0 BFAARN Cc1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1C ZINC000007751078 178090189 /nfs/dbraw/zinc/09/01/89/178090189.db2.gz SWODGBCPTQQURE-XVKPBYJWSA-N 0 0 207.248 2.729 50 0 BFAARN Cc1cc(N(C)C)nc(-c2ccccc2)n1 ZINC000000300157 178095984 /nfs/dbraw/zinc/09/59/84/178095984.db2.gz HRNSXRZVZYSQQJ-UHFFFAOYSA-N 0 0 213.284 2.518 50 0 BFAARN Cc1cc(N)c(Cl)cc1Br ZINC000071792226 178103296 /nfs/dbraw/zinc/10/32/96/178103296.db2.gz PLVOXKOSGFJQEJ-UHFFFAOYSA-N 0 0 220.497 2.993 50 0 BFAARN Cc1cc(N)ccc1NC(=O)c1cccs1 ZINC000000367646 178105408 /nfs/dbraw/zinc/10/54/08/178105408.db2.gz WVQLPQYGRSYBMV-UHFFFAOYSA-N 0 0 232.308 2.891 50 0 BFAARN Cc1cc(N)ccc1Oc1ccncc1 ZINC000098209864 178107169 /nfs/dbraw/zinc/10/71/69/178107169.db2.gz BEYGONQIOREWBK-UHFFFAOYSA-N 0 0 200.241 2.765 50 0 BFAARN Cc1cc(N)ccc1OCc1ccco1 ZINC000014630466 178107636 /nfs/dbraw/zinc/10/76/36/178107636.db2.gz VMRDQUKOPKSXCC-UHFFFAOYSA-N 0 0 203.241 2.749 50 0 BFAARN Cc1cc(NC(=O)CC(C)(C)C)sn1 ZINC000038680482 178126884 /nfs/dbraw/zinc/12/68/84/178126884.db2.gz QECZREUSTSTTKA-UHFFFAOYSA-N 0 0 212.318 2.826 50 0 BFAARN CCC(CC)C(=O)Nc1ccccc1C(=O)OC ZINC000000363696 168341295 /nfs/dbraw/zinc/34/12/95/168341295.db2.gz SNXFGVIWKFCBIB-UHFFFAOYSA-N 0 0 249.310 2.848 50 0 BFAARN CC(C)(C)c1csc(-c2cnccn2)n1 ZINC000097059274 187327738 /nfs/dbraw/zinc/32/77/38/187327738.db2.gz MTZVXICBGIFAIP-UHFFFAOYSA-N 0 0 219.313 2.898 50 0 BFAARN Cc1cc(NC(=O)N[C@@H](C)CCC(C)C)no1 ZINC000008328418 178140536 /nfs/dbraw/zinc/14/05/36/178140536.db2.gz BHQBWNFKHTVMEA-VIFPVBQESA-N 0 0 239.319 2.929 50 0 BFAARN Cc1cc(NC(=O)Nc2ccccc2)no1 ZINC000000250007 178142184 /nfs/dbraw/zinc/14/21/84/178142184.db2.gz HFJMOHJJEZDMGV-UHFFFAOYSA-N 0 0 217.228 2.627 50 0 BFAARN Cc1cc(NC(=O)OC(C)(C)C)ccn1 ZINC000075290439 178144507 /nfs/dbraw/zinc/14/45/07/178144507.db2.gz KWYQHZAEXXBEGZ-UHFFFAOYSA-N 0 0 208.261 2.737 50 0 BFAARN Cc1cc(NC(=O)c2ccc(Cl)s2)on1 ZINC000013596696 178150659 /nfs/dbraw/zinc/15/06/59/178150659.db2.gz DRJOXPQJOWQCAJ-UHFFFAOYSA-N 0 0 242.687 2.950 50 0 BFAARN Cc1cc2ncnn2c(NC2CCCCC2)c1 ZINC000035047899 178155307 /nfs/dbraw/zinc/15/53/07/178155307.db2.gz BFFBRIYTQWPZFX-UHFFFAOYSA-N 0 0 230.315 2.782 50 0 BFAARN C[C@@H](c1nc([C@@H]2CCOC2)no1)c1ccccc1 ZINC000252492334 187330690 /nfs/dbraw/zinc/33/06/90/187330690.db2.gz MJDFWWJHCZLUGT-ZYHUDNBSSA-N 0 0 244.294 2.725 50 0 BFAARN Cc1cc(NCc2ccccc2C)no1 ZINC000083343789 178173737 /nfs/dbraw/zinc/17/37/37/178173737.db2.gz UMHJTPFFZYNSNK-UHFFFAOYSA-N 0 0 202.257 2.904 50 0 BFAARN Cc1cc(Nc2ccccc2F)ncn1 ZINC000011902766 178193253 /nfs/dbraw/zinc/19/32/53/178193253.db2.gz NVNARUJTSWTCDJ-UHFFFAOYSA-N 0 0 203.220 2.668 50 0 BFAARN Cc1cc(=O)n2nc(-c3ccccc3C)cc2[nH]1 ZINC000101028699 178200822 /nfs/dbraw/zinc/20/08/22/178200822.db2.gz JUEBYWIQEYDHBI-UHFFFAOYSA-N 0 0 239.278 2.719 50 0 BFAARN Cc1cc(S[C@H](C)C(N)=O)nc2ccccc12 ZINC000012528187 178219611 /nfs/dbraw/zinc/21/96/11/178219611.db2.gz LDVJBERMMNXKPI-SECBINFHSA-N 0 0 246.335 2.509 50 0 BFAARN CCc1ccc(/C=C/C(=O)NCc2ccco2)o1 ZINC000009668241 361764059 /nfs/dbraw/zinc/76/40/59/361764059.db2.gz RMVPCSYZVRCURW-BQYQJAHWSA-N 0 0 245.278 2.765 50 0 BFAARN Cc1cc([C@@H]2CCCN2Cc2nccs2)no1 ZINC000097713455 178241397 /nfs/dbraw/zinc/24/13/97/178241397.db2.gz AGXKADARCIQJDN-NSHDSACASA-N 0 0 249.339 2.777 50 0 BFAARN Cc1cc([C@H]2CCCN2Cc2nccs2)no1 ZINC000097713456 178265630 /nfs/dbraw/zinc/26/56/30/178265630.db2.gz AGXKADARCIQJDN-LLVKDONJSA-N 0 0 249.339 2.777 50 0 BFAARN Cc1cc([C@H]2CCCN2C(=O)C(C)(C)C)no1 ZINC000021718806 178265890 /nfs/dbraw/zinc/26/58/90/178265890.db2.gz YHILPCPPHPFJIB-LLVKDONJSA-N 0 0 236.315 2.693 50 0 BFAARN Cc1cc([C@H]2CCCN2C(=O)c2ccco2)on1 ZINC000021718602 178266578 /nfs/dbraw/zinc/26/65/78/178266578.db2.gz VNUGVGHHLYJDSB-SNVBAGLBSA-N 0 0 246.266 2.553 50 0 BFAARN Cc1cc2ccccc2cc1CN1CCOCC1 ZINC000019642998 178297092 /nfs/dbraw/zinc/29/70/92/178297092.db2.gz VSGQPQQLYRZFGM-UHFFFAOYSA-N 0 0 241.334 2.980 50 0 BFAARN Cc1cc2ccccc2n1CC(=O)N1CCCC1 ZINC000001643124 178297188 /nfs/dbraw/zinc/29/71/88/178297188.db2.gz QIXUHQMNXSNWHO-UHFFFAOYSA-N 0 0 242.322 2.572 50 0 BFAARN Cc1cc2nc(-c3ccc(=O)[nH]c3)[nH]c2cc1C ZINC000011363900 178300927 /nfs/dbraw/zinc/30/09/27/178300927.db2.gz BOTHPZAQTGVOQK-UHFFFAOYSA-N 0 0 239.278 2.535 50 0 BFAARN Cc1cc2nc(C3CC3)cc(C(F)F)n2n1 ZINC000000374915 178302161 /nfs/dbraw/zinc/30/21/61/178302161.db2.gz KCSDOFXGVJPCCL-UHFFFAOYSA-N 0 0 223.226 2.853 50 0 BFAARN Cc1ccc(-c2cccc(-c3cc[nH]n3)c2)nn1 ZINC000023231301 178326422 /nfs/dbraw/zinc/32/64/22/178326422.db2.gz KHEKBBUKIKXDNY-UHFFFAOYSA-N 0 0 236.278 2.842 50 0 BFAARN Cc1ccc(-c2cn3nc(C)c(C)nc3n2)cc1 ZINC000000085444 178327449 /nfs/dbraw/zinc/32/74/49/178327449.db2.gz JRKPBJLGZNRQTH-UHFFFAOYSA-N 0 0 238.294 2.717 50 0 BFAARN Cc1ccc(-c2c(N)n[nH]c2C(F)(F)F)cc1 ZINC000014001494 178316849 /nfs/dbraw/zinc/31/68/49/178316849.db2.gz LTNZDOQBXPXXRV-UHFFFAOYSA-N 0 0 241.216 2.986 50 0 BFAARN Cc1ccc(-c2nc([C@H]3CCOC3)no2)c(F)c1 ZINC000096180838 178336990 /nfs/dbraw/zinc/33/69/90/178336990.db2.gz IZUKXBLZXZGZTH-VIFPVBQESA-N 0 0 248.257 2.688 50 0 BFAARN Cc1ccc(-c2nnc3ccc(Cl)nn32)cc1 ZINC000009304961 178342748 /nfs/dbraw/zinc/34/27/48/178342748.db2.gz IREBWCSJHJAMDT-UHFFFAOYSA-N 0 0 244.685 2.753 50 0 BFAARN Cc1noc(-c2ccc(C)cc2)c1C=O ZINC000057490862 178344760 /nfs/dbraw/zinc/34/47/60/178344760.db2.gz PVTGUFCRIFLISC-UHFFFAOYSA-N 0 0 201.225 2.771 50 0 BFAARN Cc1ccc(-n2cc(Br)cn2)cc1 ZINC000015021152 178346130 /nfs/dbraw/zinc/34/61/30/178346130.db2.gz MGVVMTZNISBYSO-UHFFFAOYSA-N 0 0 237.100 2.943 50 0 BFAARN Cc1ccc(-c2csc(CC(N)=S)n2)cc1 ZINC000004206036 178330473 /nfs/dbraw/zinc/33/04/73/178330473.db2.gz TYNXSOIJPOGOIE-UHFFFAOYSA-N 0 0 248.376 2.947 50 0 BFAARN Cc1ccc(/C=C\c2nc([C@@H]3CCOC3)no2)o1 ZINC000098019202 178357213 /nfs/dbraw/zinc/35/72/13/178357213.db2.gz GSBMOVKEWLMDIG-UMCURTJPSA-N 0 0 246.266 2.645 50 0 BFAARN Cc1ccc(/C=C/C(=O)Nc2cccnc2)o1 ZINC000000433702 178354889 /nfs/dbraw/zinc/35/48/89/178354889.db2.gz DFDAIVPFRALWTM-VOTSOKGWSA-N 0 0 228.251 2.635 50 0 BFAARN Cc1ccc(C(=O)N2CCCC2)c(Cl)c1 ZINC000000458001 178385100 /nfs/dbraw/zinc/38/51/00/178385100.db2.gz FXRPFHGLDOTMQR-UHFFFAOYSA-N 0 0 223.703 2.884 50 0 BFAARN Cc1ccc(C(=O)N2CCCCC2)s1 ZINC000016603118 178386416 /nfs/dbraw/zinc/38/64/16/178386416.db2.gz MJFPFOWOSXUGPT-UHFFFAOYSA-N 0 0 209.314 2.683 50 0 BFAARN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)o1 ZINC000040488472 178399193 /nfs/dbraw/zinc/39/91/93/178399193.db2.gz XOFZAJQBRPFETK-NXEZZACHSA-N 0 0 221.300 2.706 50 0 BFAARN CSc1ccc(CN2CCO[C@@H](C)C2)cc1 ZINC000040479452 346842323 /nfs/dbraw/zinc/84/23/23/346842323.db2.gz RTJKAOLSEVPOKR-NSHDSACASA-N 0 0 237.368 2.629 50 0 BFAARN Cc1ccc(C(=O)NCc2ccncc2)cc1C ZINC000000288044 178417395 /nfs/dbraw/zinc/41/73/95/178417395.db2.gz WAQXIKGHBGSXPV-UHFFFAOYSA-N 0 0 240.306 2.628 50 0 BFAARN Cc1cccc(C(=O)Nc2ccccn2)c1 ZINC000000073774 342672748 /nfs/dbraw/zinc/67/27/48/342672748.db2.gz LLGAGXPCTRNGQH-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN Ic1ccc2[nH]ccc2c1 ZINC000000081090 342673315 /nfs/dbraw/zinc/67/33/15/342673315.db2.gz TVQLYTUWUQMGMP-UHFFFAOYSA-N 0 0 243.047 2.773 50 0 BFAARN O=C(c1cccc(F)c1F)N1CCCCC1 ZINC000000089443 342673694 /nfs/dbraw/zinc/67/36/94/342673694.db2.gz PJIJKWKKKLUZQB-UHFFFAOYSA-N 0 0 225.238 2.591 50 0 BFAARN O=C(O[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000000088315 342673746 /nfs/dbraw/zinc/67/37/46/342673746.db2.gz BVDLKOWNKUCLAH-QMMMGPOBSA-N 0 0 231.078 2.790 50 0 BFAARN Cc1cc(C)n(-c2nc3ccccc3nc2C)n1 ZINC000000493849 342688942 /nfs/dbraw/zinc/68/89/42/342688942.db2.gz ONKNWHBCKSSZHX-UHFFFAOYSA-N 0 0 238.294 2.741 50 0 BFAARN CCCC(=O)c1cc2ccccc2oc1=O ZINC000000091817 342673968 /nfs/dbraw/zinc/67/39/68/342673968.db2.gz HMTUJOLTTSWOHC-UHFFFAOYSA-N 0 0 216.236 2.776 50 0 BFAARN Cn1ccc(-c2nc3ccccc3s2)n1 ZINC000000108715 342674692 /nfs/dbraw/zinc/67/46/92/342674692.db2.gz ZTMHUKNKPQUPRP-UHFFFAOYSA-N 0 0 215.281 2.697 50 0 BFAARN Nc1ccc2c(c1)COc1ccccc1O2 ZINC000000111233 342674950 /nfs/dbraw/zinc/67/49/50/342674950.db2.gz BBCNTUPSRJPPRA-UHFFFAOYSA-N 0 0 213.236 2.954 50 0 BFAARN O=C(c1cccs1)n1ccc(C(F)(F)F)n1 ZINC000000117279 342675410 /nfs/dbraw/zinc/67/54/10/342675410.db2.gz LKWKAJYVJMQOOM-UHFFFAOYSA-N 0 0 246.213 2.652 50 0 BFAARN C=Cc1c(C)c(C(N)=O)sc1SC ZINC000000125714 342675744 /nfs/dbraw/zinc/67/57/44/342675744.db2.gz FISQNCJLYPPANK-UHFFFAOYSA-N 0 0 213.327 2.520 50 0 BFAARN Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000000128405 342676085 /nfs/dbraw/zinc/67/60/85/342676085.db2.gz ZGUHEEOHWIVGOA-UHFFFAOYSA-N 0 0 205.257 2.700 50 0 BFAARN O=C(CNc1ccc(F)cc1)Nc1ccccc1 ZINC000000132499 342676358 /nfs/dbraw/zinc/67/63/58/342676358.db2.gz RLMRJOQKCYWJOF-UHFFFAOYSA-N 0 0 244.269 2.876 50 0 BFAARN CC(=O)c1cnn(-c2cccc(C)c2)c1C ZINC000000142471 342677059 /nfs/dbraw/zinc/67/70/59/342677059.db2.gz AVKHPBGALSNCIL-UHFFFAOYSA-N 0 0 214.268 2.692 50 0 BFAARN CCN(CC)C(=O)Nc1ccc(F)cc1 ZINC000000152057 342677444 /nfs/dbraw/zinc/67/74/44/342677444.db2.gz IFQSZQMTBKCLOF-UHFFFAOYSA-N 0 0 210.252 2.699 50 0 BFAARN Cn1cc(C(=O)c2cccc(Cl)c2)cc1C=O ZINC000000153369 342677447 /nfs/dbraw/zinc/67/74/47/342677447.db2.gz HGYPWKCEDGGCLD-UHFFFAOYSA-N 0 0 247.681 2.722 50 0 BFAARN Nc1ccc(Oc2ncccn2)c(Cl)c1 ZINC000000168665 342678930 /nfs/dbraw/zinc/67/89/30/342678930.db2.gz YCDMLCQFVZCCBZ-UHFFFAOYSA-N 0 0 221.647 2.505 50 0 BFAARN CCc1ccc(C(=O)Nc2nccs2)cc1 ZINC000000188367 342679581 /nfs/dbraw/zinc/67/95/81/342679581.db2.gz QZWNBKBVTQVBKO-UHFFFAOYSA-N 0 0 232.308 2.958 50 0 BFAARN Cc1n[nH]c(C)c1Sc1nc(C)cc(C)n1 ZINC000000193800 342679851 /nfs/dbraw/zinc/67/98/51/342679851.db2.gz MQWJSMDNKNPJGH-UHFFFAOYSA-N 0 0 234.328 2.585 50 0 BFAARN CCCn1c2ccccc2nc1[C@H](C)NC(C)=O ZINC000000200770 342680022 /nfs/dbraw/zinc/68/00/22/342680022.db2.gz ZEDJFKILWLXIBZ-JTQLQIEISA-N 0 0 245.326 2.643 50 0 BFAARN Cn1c2ccccc2nc1-c1cccnc1 ZINC000000230246 342680852 /nfs/dbraw/zinc/68/08/52/342680852.db2.gz GTHVCNAHJZPIII-UHFFFAOYSA-N 0 0 209.252 2.635 50 0 BFAARN CCOC(=O)[C@H]1CC12CCC(F)(F)CC2 ZINC000222996441 398274432 /nfs/dbraw/zinc/27/44/32/398274432.db2.gz ZKUILEVFEBZJLG-MRVPVSSYSA-N 0 0 218.243 2.765 50 0 BFAARN CCc1ccc(C(=O)NC2CCCC2)o1 ZINC000036395813 538960218 /nfs/dbraw/zinc/96/02/18/538960218.db2.gz FDYGLNAJGNTNRO-UHFFFAOYSA-N 0 0 207.273 2.514 50 0 BFAARN Cc1c2ccccc2oc1C(=O)NC(C)C ZINC000000248725 342681433 /nfs/dbraw/zinc/68/14/33/342681433.db2.gz TWNPUQQFPVHYQE-UHFFFAOYSA-N 0 0 217.268 2.879 50 0 BFAARN CC(C)(C)[C@]1(O)CC(c2ccccc2)=NO1 ZINC000000267473 342681746 /nfs/dbraw/zinc/68/17/46/342681746.db2.gz LGBJDIDPIXMVAU-ZDUSSCGKSA-N 0 0 219.284 2.546 50 0 BFAARN CCOc1cccc(C(=O)Nc2cccnc2)c1 ZINC000000298351 342682527 /nfs/dbraw/zinc/68/25/27/342682527.db2.gz HDGNEWOZIATKFS-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN CC(=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000000296220 342682576 /nfs/dbraw/zinc/68/25/76/342682576.db2.gz JPXHNMQMXTUZGE-UHFFFAOYSA-N 0 0 246.093 2.911 50 0 BFAARN COc1c2ccoc2c(OC)c2oc(=O)ccc12 ZINC000000314951 342683071 /nfs/dbraw/zinc/68/30/71/342683071.db2.gz DFMAXQKDIGCMTL-UHFFFAOYSA-N 0 0 246.218 2.556 50 0 endogenous,in-man BFAARN CN(C)c1ccc(Br)cc1 ZINC000000330697 342683293 /nfs/dbraw/zinc/68/32/93/342683293.db2.gz XYZWMVYYUIMRIZ-UHFFFAOYSA-N 0 0 200.079 2.515 50 0 BFAARN COc1ccccc1NC(=O)Nc1cccnc1 ZINC000000318925 342683391 /nfs/dbraw/zinc/68/33/91/342683391.db2.gz GXPNSFDRGMRUJM-UHFFFAOYSA-N 0 0 243.266 2.734 50 0 BFAARN CSc1nccc(-c2ccccc2)n1 ZINC000000331534 342683639 /nfs/dbraw/zinc/68/36/39/342683639.db2.gz LHQHZLLOGPDNGV-UHFFFAOYSA-N 0 0 202.282 2.866 50 0 BFAARN Nc1ccc(-c2nc3cc(O)ccc3[nH]2)cc1 ZINC000000337256 342683840 /nfs/dbraw/zinc/68/38/40/342683840.db2.gz IQJIBJPDMHIXSK-UHFFFAOYSA-N 0 0 225.251 2.518 50 0 BFAARN Cc1nc(Cl)cc(-c2ccccn2)n1 ZINC000000343314 342684134 /nfs/dbraw/zinc/68/41/34/342684134.db2.gz ZWHZRLMJZKIKGZ-UHFFFAOYSA-N 0 0 205.648 2.500 50 0 BFAARN CCCC(=O)Nc1ccccc1C(=O)OCC ZINC000000362088 342684930 /nfs/dbraw/zinc/68/49/30/342684930.db2.gz XSTXWUJSSKDPAE-UHFFFAOYSA-N 0 0 235.283 2.602 50 0 BFAARN O=C(c1cccc(F)c1)n1cnc2ccccc21 ZINC000000368880 342685164 /nfs/dbraw/zinc/68/51/64/342685164.db2.gz FNULWJWOAZPVJH-UHFFFAOYSA-N 0 0 240.237 2.864 50 0 BFAARN CC[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000000365460 342685206 /nfs/dbraw/zinc/68/52/06/342685206.db2.gz JBDGVJOEMJVTPU-SSDOTTSWSA-N 0 0 212.680 2.720 50 0 BFAARN C[C@H](CCc1ccccc1)NC(=O)C1CC1 ZINC000000375599 342685377 /nfs/dbraw/zinc/68/53/77/342685377.db2.gz PFQYHRVJCPCDJG-LLVKDONJSA-N 0 0 217.312 2.534 50 0 BFAARN O=C(Oc1ccc2c(c1)OCO2)c1ccccc1 ZINC000000383751 342685584 /nfs/dbraw/zinc/68/55/84/342685584.db2.gz QMGRLEAYWWVZRW-UHFFFAOYSA-N 0 0 242.230 2.635 50 0 BFAARN CCOc1ccc2oc(C)c(C(=O)OC)c2c1 ZINC000000389364 342685907 /nfs/dbraw/zinc/68/59/07/342685907.db2.gz VODVYHQUONNOAQ-UHFFFAOYSA-N 0 0 234.251 2.927 50 0 BFAARN Cc1ccc(NC(=O)NC(C)C)cc1C ZINC000000396732 342686226 /nfs/dbraw/zinc/68/62/26/342686226.db2.gz SLHQUHLESBRWPQ-UHFFFAOYSA-N 0 0 206.289 2.833 50 0 BFAARN Cc1c(Cl)cccc1NC(=O)N(C)C ZINC000000397749 342686473 /nfs/dbraw/zinc/68/64/73/342686473.db2.gz YSMGKTOVYFPIPS-UHFFFAOYSA-N 0 0 212.680 2.742 50 0 BFAARN Fc1cc(F)cc(I)c1 ZINC000000404218 342686774 /nfs/dbraw/zinc/68/67/74/342686774.db2.gz QQCFOQNFPIAENW-UHFFFAOYSA-N 0 0 239.990 2.569 50 0 BFAARN O=[P@@H]1Oc2ccccc2-c2ccccc21 ZINC000000403162 342686841 /nfs/dbraw/zinc/68/68/41/342686841.db2.gz VBQRUYIOTHNGOP-UHFFFAOYSA-N 0 0 216.176 2.846 50 0 BFAARN COc1cc(C=O)cc(Cl)c1OC(C)C ZINC000000454721 342687602 /nfs/dbraw/zinc/68/76/02/342687602.db2.gz YJXAUTANCTWVOT-UHFFFAOYSA-N 0 0 228.675 2.948 50 0 BFAARN Cc1ccc(CSCC(=O)N2CCCC2)cc1 ZINC000000443926 342687613 /nfs/dbraw/zinc/68/76/13/342687613.db2.gz UGSWJNBMDVEDLN-UHFFFAOYSA-N 0 0 249.379 2.851 50 0 BFAARN Cc1ccc(CC(=O)NC2CCCC2)cc1 ZINC000000463722 342688124 /nfs/dbraw/zinc/68/81/24/342688124.db2.gz VPZGIOVWSZCMCY-UHFFFAOYSA-N 0 0 217.312 2.596 50 0 BFAARN CC[C@@H](C)NC(=O)/C=C/c1ccc(C)cc1 ZINC000000475284 342688213 /nfs/dbraw/zinc/68/82/13/342688213.db2.gz OKXKPRVYJURGPX-BZYZDCJZSA-N 0 0 217.312 2.923 50 0 BFAARN C[C@@H](NC(=O)c1ccncc1)c1ccccc1F ZINC000036624218 538960975 /nfs/dbraw/zinc/96/09/75/538960975.db2.gz IWRAJZGNAGPOOU-SNVBAGLBSA-N 0 0 244.269 2.712 50 0 BFAARN O=C1CCCN1c1cccc(Br)c1 ZINC000000477959 342688650 /nfs/dbraw/zinc/68/86/50/342688650.db2.gz QKSLLUAHJIQQGI-UHFFFAOYSA-N 0 0 240.100 2.576 50 0 BFAARN CC(C)CNC(=O)c1cccc(Cl)c1 ZINC000000029708 342669968 /nfs/dbraw/zinc/66/99/68/342669968.db2.gz JAKFOVZBAWHMCQ-UHFFFAOYSA-N 0 0 211.692 2.726 50 0 BFAARN CCOc1ccc(C(=O)NCCC(C)C)cc1 ZINC000000030402 342669996 /nfs/dbraw/zinc/66/99/96/342669996.db2.gz IDYDAUUPUFVRGK-UHFFFAOYSA-N 0 0 235.327 2.861 50 0 biogenic BFAARN CC(C)CC(=O)N1CCc2ccccc21 ZINC000000030712 342670331 /nfs/dbraw/zinc/67/03/31/342670331.db2.gz JGJGSUKSORSYIK-UHFFFAOYSA-N 0 0 203.285 2.622 50 0 BFAARN COC(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000000036068 342670741 /nfs/dbraw/zinc/67/07/41/342670741.db2.gz ZWUBZIQOXMHHOZ-UHFFFAOYSA-N 0 0 242.278 2.851 50 0 BFAARN Cc1ccc(NCn2nnc3ccccc32)cc1 ZINC000000041412 342671078 /nfs/dbraw/zinc/67/10/78/342671078.db2.gz YDEQVYCDMYHIPS-UHFFFAOYSA-N 0 0 238.294 2.809 50 0 BFAARN CN(C)c1ccc(NC(=O)c2ccco2)cc1 ZINC000000054983 342671510 /nfs/dbraw/zinc/67/15/10/342671510.db2.gz ZBJRIAKEPNWQLK-UHFFFAOYSA-N 0 0 230.267 2.598 50 0 BFAARN Cc1ccc(NC(=O)c2cccnc2Cl)nc1 ZINC000000484072 342688872 /nfs/dbraw/zinc/68/88/72/342688872.db2.gz HGOBJDGVLNOPAR-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN CCCCOc1ccc(-c2nnc(N)s2)cc1 ZINC000002293013 342718280 /nfs/dbraw/zinc/71/82/80/342718280.db2.gz OACLVJZGKWIEAB-UHFFFAOYSA-N 0 0 249.339 2.966 50 0 BFAARN Cc1cc(C=O)c(C)n1Cc1ccccc1 ZINC000000615721 342690965 /nfs/dbraw/zinc/69/09/65/342690965.db2.gz DRUVRRDEWCSBFW-UHFFFAOYSA-N 0 0 213.280 2.966 50 0 BFAARN Cc1ccc2oc(=O)n(CC(C)C)c2c1 ZINC000000610615 342691069 /nfs/dbraw/zinc/69/10/69/342691069.db2.gz FXYUXWJZRUCEIO-UHFFFAOYSA-N 0 0 205.257 2.559 50 0 BFAARN Cn1cnc2cc(NCc3ccco3)ccc21 ZINC000002334269 342718724 /nfs/dbraw/zinc/71/87/24/342718724.db2.gz MQBKAMUALAONHP-UHFFFAOYSA-N 0 0 227.267 2.778 50 0 BFAARN C[C@@H](CC(=O)Nc1nncs1)c1ccccc1 ZINC000000804764 342692963 /nfs/dbraw/zinc/69/29/63/342692963.db2.gz WTGIKFBKHNYLOG-VIFPVBQESA-N 0 0 247.323 2.670 50 0 BFAARN Cc1ccc(NC(=O)c2ccccc2)cc1N ZINC000000857446 342693806 /nfs/dbraw/zinc/69/38/06/342693806.db2.gz ZKMYHZKZDMIROQ-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN CC1(C)CON(Cc2ccccc2Cl)C1=O ZINC000000900785 342694527 /nfs/dbraw/zinc/69/45/27/342694527.db2.gz KIEDNEWSYUYDSN-UHFFFAOYSA-N 0 0 239.702 2.640 50 0 in-vitro BFAARN O=C1CSC(=O)N1c1cccc(Cl)c1 ZINC000000970666 342695205 /nfs/dbraw/zinc/69/52/05/342695205.db2.gz ZUKHMYVMHSQCEL-UHFFFAOYSA-N 0 0 227.672 2.540 50 0 BFAARN CCC1=NSC2=NCC(c3ccccc3)=NN12 ZINC000001009656 342695738 /nfs/dbraw/zinc/69/57/38/342695738.db2.gz YQXWJXBSBUYFNO-UHFFFAOYSA-N 0 0 244.323 2.533 50 0 BFAARN O=C1CCCN1c1ccc(C(F)(F)F)cc1 ZINC000001081383 342697280 /nfs/dbraw/zinc/69/72/80/342697280.db2.gz RNCNLNNXQWEWLX-UHFFFAOYSA-N 0 0 229.201 2.832 50 0 BFAARN O=C(c1ccc(Cl)c(F)c1F)N1CCCC1 ZINC000001118442 342697673 /nfs/dbraw/zinc/69/76/73/342697673.db2.gz ZWQMTWSUQLPAAP-UHFFFAOYSA-N 0 0 245.656 2.854 50 0 BFAARN NNc1ccccc1Oc1ccccc1 ZINC000001392607 342699760 /nfs/dbraw/zinc/69/97/60/342699760.db2.gz NYMGSEDQLNNAEN-UHFFFAOYSA-N 0 0 200.241 2.765 50 0 BFAARN Nc1nccc(-c2cccc(C(F)(F)F)c2)n1 ZINC000001390687 342699800 /nfs/dbraw/zinc/69/98/00/342699800.db2.gz XHPUQDCNDMTXSO-UHFFFAOYSA-N 0 0 239.200 2.745 50 0 BFAARN COCc1cc(Cl)nc2cc(N)c(C)cc12 ZINC000001399600 342699994 /nfs/dbraw/zinc/69/99/94/342699994.db2.gz NCAFKTFUSLPNJV-UHFFFAOYSA-N 0 0 236.702 2.925 50 0 BFAARN COC(=O)CCC(=O)c1ccc(SC)cc1 ZINC000082721845 398279006 /nfs/dbraw/zinc/27/90/06/398279006.db2.gz SFYLSDXIWQUUMY-UHFFFAOYSA-N 0 0 238.308 2.544 50 0 BFAARN CC(=O)Nc1ccc(O)c2ccccc12 ZINC000001437230 342700862 /nfs/dbraw/zinc/70/08/62/342700862.db2.gz KBJFWKRDRSFIBS-UHFFFAOYSA-N 0 0 201.225 2.504 50 0 BFAARN CCC1=NC[C@H]2c3cccc(OC)c3O[C@@]12C ZINC000096027954 342701382 /nfs/dbraw/zinc/70/13/82/342701382.db2.gz HLFISRJGUDVBPT-IINYFYTJSA-N 0 0 231.295 2.795 50 0 BFAARN CC(C)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000001506276 342702242 /nfs/dbraw/zinc/70/22/42/342702242.db2.gz PIDHDEXYYMHMLA-UHFFFAOYSA-N 0 0 227.333 2.646 50 0 BFAARN O=C(c1ccc[nH]1)C(Cl)(Cl)Cl ZINC000001561236 342702773 /nfs/dbraw/zinc/70/27/73/342702773.db2.gz BBFDGMDENAEMKF-UHFFFAOYSA-N 0 0 212.463 2.568 50 0 BFAARN CCCCC[C@@H](O)[C@@H](CO)CCCC ZINC000001655727 342707371 /nfs/dbraw/zinc/70/73/71/342707371.db2.gz KBGFEZLHKQYIPE-VXGBXAGGSA-N 0 0 202.338 2.726 50 0 BFAARN CCCCS(=O)(=O)Nc1ccc(Cl)cc1 ZINC000001672784 342707953 /nfs/dbraw/zinc/70/79/53/342707953.db2.gz UVUXTNKGBCHPKC-UHFFFAOYSA-N 0 0 247.747 2.882 50 0 BFAARN Cc1ccc(I)c(C)c1 ZINC000001672849 342708048 /nfs/dbraw/zinc/70/80/48/342708048.db2.gz BUNKQJAMHYKQIM-UHFFFAOYSA-N 0 0 232.064 2.908 50 0 BFAARN CCCC(=O)OCCCc1ccccc1 ZINC000001685567 342708963 /nfs/dbraw/zinc/70/89/63/342708963.db2.gz IWBHCESPSIQPME-UHFFFAOYSA-N 0 0 206.285 2.963 50 0 BFAARN COP(=O)(Cc1ccccc1)OC ZINC000001737316 342711884 /nfs/dbraw/zinc/71/18/84/342711884.db2.gz QLNYTKJCHFEIDA-UHFFFAOYSA-N 0 0 200.174 2.673 50 0 BFAARN Nc1ccccc1C(=O)OCc1ccccc1 ZINC000002169730 342716575 /nfs/dbraw/zinc/71/65/75/342716575.db2.gz ZHZPDMZPDWXVMJ-UHFFFAOYSA-N 0 0 227.263 2.626 50 0 BFAARN Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 ZINC000002388745 342719840 /nfs/dbraw/zinc/71/98/40/342719840.db2.gz GKFQAGBYQFFGTJ-UHFFFAOYSA-N 0 0 242.109 2.820 50 0 BFAARN Cc1cc(C)n(-c2ccc3cccc(N)c3n2)n1 ZINC000004007926 342740736 /nfs/dbraw/zinc/74/07/36/342740736.db2.gz DDBIKFYWRHCKQT-UHFFFAOYSA-N 0 0 238.294 2.620 50 0 BFAARN O=C(c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000004103565 342742314 /nfs/dbraw/zinc/74/23/14/342742314.db2.gz CGVCBANYMPJILL-UHFFFAOYSA-N 0 0 222.247 2.794 50 0 BFAARN COC(=O)Cc1nc(-c2ccccc2)cs1 ZINC000004218378 342744445 /nfs/dbraw/zinc/74/44/45/342744445.db2.gz OGNQEXKJRUCLAY-UHFFFAOYSA-N 0 0 233.292 2.526 50 0 BFAARN CC(C)(C)C(=O)Nc1cccc(Cl)n1 ZINC000004352688 342747094 /nfs/dbraw/zinc/74/70/94/342747094.db2.gz YPWKLBCTOUEZKE-UHFFFAOYSA-N 0 0 212.680 2.720 50 0 BFAARN COc1cc(C=O)ccc1OC1CCCC1 ZINC000004560451 342749166 /nfs/dbraw/zinc/74/91/66/342749166.db2.gz UMIUDSWQJWYRLW-UHFFFAOYSA-N 0 0 220.268 2.829 50 0 BFAARN Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000002472149 342720889 /nfs/dbraw/zinc/72/08/89/342720889.db2.gz UIBTVOZOVXDOKJ-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN O=C1CCCc2nc(N3CCCCC3)sc21 ZINC000002474366 342720989 /nfs/dbraw/zinc/72/09/89/342720989.db2.gz WKSFZARTVKRYDQ-UHFFFAOYSA-N 0 0 236.340 2.652 50 0 BFAARN Cc1ccc(OCCCn2ccnc2)cc1 ZINC000002493368 342721194 /nfs/dbraw/zinc/72/11/94/342721194.db2.gz ZBMJKUZAILIVOY-UHFFFAOYSA-N 0 0 216.284 2.661 50 0 BFAARN Cc1cc(=O)c2cc(Br)ccc2o1 ZINC000002509866 342721663 /nfs/dbraw/zinc/72/16/63/342721663.db2.gz PVHDLBFVSMGZAA-UHFFFAOYSA-N 0 0 239.068 2.864 50 0 BFAARN Clc1ccc(CC2OCCO2)cc1Cl ZINC000002529057 342722904 /nfs/dbraw/zinc/72/29/04/342722904.db2.gz IZSWDYBHXBQDFJ-UHFFFAOYSA-N 0 0 233.094 2.909 50 0 BFAARN Cc1sc(-c2ccccc2)nc1CCO ZINC000002559145 342724049 /nfs/dbraw/zinc/72/40/49/342724049.db2.gz LFWWGOVVMHFOKV-UHFFFAOYSA-N 0 0 219.309 2.653 50 0 BFAARN COC(=O)C1=C(C)O[C@H](c2cccnc2)C(C)=C1 ZINC000000491012 346860157 /nfs/dbraw/zinc/86/01/57/346860157.db2.gz GWYGBBBOUWJXSQ-ZDUSSCGKSA-N 0 0 245.278 2.546 50 0 biogenic BFAARN CCCCOc1ccc(C=O)cc1OC ZINC000002573374 342724991 /nfs/dbraw/zinc/72/49/91/342724991.db2.gz VDQRSBASPLRAOM-UHFFFAOYSA-N 0 0 208.257 2.687 50 0 BFAARN Nc1cc(Cl)c(C(F)(F)F)cc1N ZINC000002577655 342725173 /nfs/dbraw/zinc/72/51/73/342725173.db2.gz BUSGYQISMPLVIJ-UHFFFAOYSA-N 0 0 210.586 2.523 50 0 BFAARN CCc1ccc(C(=O)CCC2OCCCO2)cc1 ZINC000002581228 342725499 /nfs/dbraw/zinc/72/54/99/342725499.db2.gz HHJNTGDOSLGJMT-UHFFFAOYSA-N 0 0 248.322 2.975 50 0 BFAARN O=c1c2ccccc2ncn1-c1cccc(F)c1 ZINC000002879480 342727634 /nfs/dbraw/zinc/72/76/34/342727634.db2.gz KHIGSGCCOQFOGI-UHFFFAOYSA-N 0 0 240.237 2.525 50 0 BFAARN CCCCC(=O)Nc1ccc(OC)c(OC)c1 ZINC000002969028 342729275 /nfs/dbraw/zinc/72/92/75/342729275.db2.gz LKTACGFAIMHOTC-UHFFFAOYSA-N 0 0 237.299 2.833 50 0 BFAARN CCCCOc1ccc(NC(=O)C2CCC2)cn1 ZINC000034839768 342732067 /nfs/dbraw/zinc/73/20/67/342732067.db2.gz PMGFJIQNLJOCPL-UHFFFAOYSA-N 0 0 248.326 2.999 50 0 BFAARN Clc1ccccc1-c1nnc(CNC2CC2)o1 ZINC000003411345 342733136 /nfs/dbraw/zinc/73/31/36/342733136.db2.gz MBDFYORTHJQNEZ-UHFFFAOYSA-N 0 0 249.701 2.642 50 0 BFAARN CCC(CC)NC(=O)c1ccc(OC(C)=O)cc1 ZINC000004599986 168385631 /nfs/dbraw/zinc/38/56/31/168385631.db2.gz MTJOQSQFZUYBER-UHFFFAOYSA-N 0 0 249.310 2.530 50 0 BFAARN COc1cc(C=Cc2cc(C)[nH]n2)ccc1O ZINC000003777707 342737729 /nfs/dbraw/zinc/73/77/29/342737729.db2.gz IJCIXCWAMXHVQD-HWKANZROSA-N 0 0 230.267 2.603 50 0 BFAARN CCC(CC)NC(=O)c1ccc(N(C)C)cc1 ZINC000004561499 168385823 /nfs/dbraw/zinc/38/58/23/168385823.db2.gz GWWRYRIVACFZQS-UHFFFAOYSA-N 0 0 234.343 2.671 50 0 BFAARN CC[C@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000005019535 342756664 /nfs/dbraw/zinc/75/66/64/342756664.db2.gz QRHBGWMLUAGPNM-VKHMYHEASA-N 0 0 226.144 2.826 50 0 BFAARN Clc1ccc(CNc2nc[nH]n2)cc1Cl ZINC000005019309 342756666 /nfs/dbraw/zinc/75/66/66/342756666.db2.gz IURXOAJOANHGAI-UHFFFAOYSA-N 0 0 243.097 2.724 50 0 BFAARN CCCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005711326 342768761 /nfs/dbraw/zinc/76/87/61/342768761.db2.gz RRYKBXANMSXVQC-UHFFFAOYSA-N 0 0 221.344 2.872 50 0 BFAARN Cc1ccc(NC(=O)NCc2ccncc2)cc1 ZINC000005740380 342769532 /nfs/dbraw/zinc/76/95/32/342769532.db2.gz NEQVSPAGEOPLGB-UHFFFAOYSA-N 0 0 241.294 2.712 50 0 BFAARN Clc1ccc(Nc2nnc3ncccn32)cc1 ZINC000005778184 342769741 /nfs/dbraw/zinc/76/97/41/342769741.db2.gz PYFPIVOSJNXCRJ-UHFFFAOYSA-N 0 0 245.673 2.521 50 0 BFAARN NNc1ccnc2cc(Cl)cc(Cl)c21 ZINC000005940893 342771821 /nfs/dbraw/zinc/77/18/21/342771821.db2.gz XQPMSFQCUQUKDF-UHFFFAOYSA-N 0 0 228.082 2.827 50 0 BFAARN CCCCC(=O)Nc1ccc(N)cc1C ZINC000005946090 342771878 /nfs/dbraw/zinc/77/18/78/342771878.db2.gz RBCBTOHJZMPVSK-UHFFFAOYSA-N 0 0 206.289 2.706 50 0 BFAARN CCc1ccc(C2N=NC(=S)O2)cc1 ZINC000006006990 342772519 /nfs/dbraw/zinc/77/25/19/342772519.db2.gz LBSHCIIJUBRAJK-UHFFFAOYSA-N 0 0 206.270 2.588 50 0 BFAARN CCc1ccc(C(=O)NCc2cccnc2)cc1 ZINC000006120500 342773709 /nfs/dbraw/zinc/77/37/09/342773709.db2.gz OIBRUXLGFBAQOI-UHFFFAOYSA-N 0 0 240.306 2.574 50 0 BFAARN O=c1ccc(Cl)cn1Cc1ccccc1 ZINC000006240451 342775462 /nfs/dbraw/zinc/77/54/62/342775462.db2.gz XFNJPKIPADFGPO-UHFFFAOYSA-N 0 0 219.671 2.550 50 0 BFAARN CSCCC(=O)NC[C@@H]1CC12CCCCC2 ZINC000584890036 342776152 /nfs/dbraw/zinc/77/61/52/342776152.db2.gz SZRXJOMUWPMVHC-NSHDSACASA-N 0 0 241.400 2.826 50 0 BFAARN O=C(OCCc1ccccc1)c1ccc(O)cc1 ZINC000008722915 342803492 /nfs/dbraw/zinc/80/34/92/342803492.db2.gz PVOSMOVHDHSYCE-UHFFFAOYSA-N 0 0 242.274 2.792 50 0 BFAARN Cc1cc(C(=O)NCc2ccccc2F)c(C)o1 ZINC000006561506 342779318 /nfs/dbraw/zinc/77/93/18/342779318.db2.gz IKMTUUASUATUGV-UHFFFAOYSA-N 0 0 247.269 2.966 50 0 BFAARN CC[C@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000006741539 342782013 /nfs/dbraw/zinc/78/20/13/342782013.db2.gz FOMQFECURSZKJQ-AWEZNQCLSA-N 0 0 240.306 2.963 50 0 BFAARN CC[C@@H](C)C(=O)Nc1cccc(N)c1C ZINC000008703435 342802846 /nfs/dbraw/zinc/80/28/46/342802846.db2.gz HXKFTQFVVHJBJE-MRVPVSSYSA-N 0 0 206.289 2.562 50 0 BFAARN Nc1n[nH]c(-c2ccncc2)c1-c1ccccc1 ZINC000008701301 342802853 /nfs/dbraw/zinc/80/28/53/342802853.db2.gz FIYOMWDWUASSIF-UHFFFAOYSA-N 0 0 236.278 2.721 50 0 BFAARN Cc1c(N)cccc1NC(=O)C(C)(C)C ZINC000008703433 342802894 /nfs/dbraw/zinc/80/28/94/342802894.db2.gz DZHGAIOKFWUKRV-UHFFFAOYSA-N 0 0 206.289 2.562 50 0 BFAARN O=C(CCc1cccc(F)c1)N1CCCCC1 ZINC000040476635 538971660 /nfs/dbraw/zinc/97/16/60/538971660.db2.gz DQKFSMPFJMBJBF-UHFFFAOYSA-N 0 0 235.302 2.771 50 0 BFAARN Cc1ccc(C(=O)Nc2cccc(O)c2)cc1 ZINC000000188566 178438377 /nfs/dbraw/zinc/43/83/77/178438377.db2.gz IWBFDNSNIZBSOW-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN CCn1ccc(C(=O)Oc2cc(C)cc(C)c2)n1 ZINC000002759225 342793051 /nfs/dbraw/zinc/79/30/51/342793051.db2.gz QXOVKKJSWZRVRM-UHFFFAOYSA-N 0 0 244.294 2.739 50 0 BFAARN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)C ZINC000008041220 342795689 /nfs/dbraw/zinc/79/56/89/342795689.db2.gz XEABCGZJIFRHOH-LLVKDONJSA-N 0 0 241.718 2.586 50 0 BFAARN CC(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000009231686 342810978 /nfs/dbraw/zinc/81/09/78/342810978.db2.gz ITHKYYSUNOFFFN-UHFFFAOYSA-N 0 0 246.310 2.630 50 0 BFAARN CCCCC(=O)Nc1noc2ccccc21 ZINC000009667584 342823967 /nfs/dbraw/zinc/82/39/67/342823967.db2.gz WMNKJXHDIWPOJC-UHFFFAOYSA-N 0 0 218.256 2.957 50 0 BFAARN Cc1ccc(NC(=O)Nc2cnsn2)cc1C ZINC000009668634 342823978 /nfs/dbraw/zinc/82/39/78/342823978.db2.gz LLKIGVCGGGCQQM-UHFFFAOYSA-N 0 0 248.311 2.799 50 0 BFAARN O=C(CC1CCCC1)NCc1ccccc1 ZINC000008723339 342803607 /nfs/dbraw/zinc/80/36/07/342803607.db2.gz OARANXGDGJOBKL-UHFFFAOYSA-N 0 0 217.312 2.883 50 0 BFAARN CC(C)(C)OC(=O)N1CCC(=O)CC12CCC2 ZINC000008728698 342803864 /nfs/dbraw/zinc/80/38/64/342803864.db2.gz ASCBSGNUAQKGNU-UHFFFAOYSA-N 0 0 239.315 2.509 50 0 BFAARN O=C(CCc1ccco1)NC(C1CC1)C1CC1 ZINC000042025353 361926627 /nfs/dbraw/zinc/92/66/27/361926627.db2.gz CKEKERWLTZOYKJ-UHFFFAOYSA-N 0 0 233.311 2.517 50 0 BFAARN CCN(C(=O)c1ccccc1N)c1ccccc1 ZINC000010012981 342831212 /nfs/dbraw/zinc/83/12/12/342831212.db2.gz ZUZWUZRAIHASNW-UHFFFAOYSA-N 0 0 240.306 2.936 50 0 BFAARN CN(N=Cc1cccc(O)c1O)c1ccccc1 ZINC000254310261 398295317 /nfs/dbraw/zinc/29/53/17/398295317.db2.gz QHGFGBRPGXMSJA-UHFFFAOYSA-N 0 0 242.278 2.568 50 0 BFAARN O=Cc1cc(-c2cccc(O)c2)cs1 ZINC000065339964 539027665 /nfs/dbraw/zinc/02/76/65/539027665.db2.gz BHFLQRPECXTCOD-UHFFFAOYSA-N 0 0 204.250 2.933 50 0 BFAARN CCCC(=O)C1=C(O)CC[C@@H](C(C)C)C1 ZINC000109253557 539027957 /nfs/dbraw/zinc/02/79/57/539027957.db2.gz YUGLCPNBZCECTO-GHMZBOCLSA-N 0 0 210.317 2.997 50 0 BFAARN Cc1c2cc(C[NH+](C)C)ccc2oc1C(=O)[O-] ZINC000011568569 342841560 /nfs/dbraw/zinc/84/15/60/342841560.db2.gz DYIXEJDDKMYUMI-UHFFFAOYSA-N 0 0 233.267 2.501 50 0 BFAARN CC(C)CO[C@H](C)C(=O)Nc1ccccc1F ZINC000042466214 362002492 /nfs/dbraw/zinc/00/24/92/362002492.db2.gz VFYCHXSZPFAXTD-SNVBAGLBSA-N 0 0 239.290 2.825 50 0 BFAARN Cc1cc(C)n(-c2ccc(N)cc2Cl)n1 ZINC000012395373 342851073 /nfs/dbraw/zinc/85/10/73/342851073.db2.gz KGQHBHZKVGKFPS-UHFFFAOYSA-N 0 0 221.691 2.725 50 0 BFAARN NN=c1nc(-c2ccc3ccccc3c2)cc[nH]1 ZINC000012395093 342851077 /nfs/dbraw/zinc/85/10/77/342851077.db2.gz BLODZMUIAVERDN-UHFFFAOYSA-N 0 0 236.278 2.582 50 0 BFAARN Cc1ccc(NC(=O)NCc2ccccn2)cc1 ZINC000012476076 342852515 /nfs/dbraw/zinc/85/25/15/342852515.db2.gz HOGKDEGSFNCKPD-UHFFFAOYSA-N 0 0 241.294 2.712 50 0 BFAARN Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000012526561 342853578 /nfs/dbraw/zinc/85/35/78/342853578.db2.gz YUTWYOJPIUVEKL-UHFFFAOYSA-N 0 0 200.241 2.801 50 0 BFAARN Nc1cnc(-c2ccccc2C(F)(F)F)cn1 ZINC000032592821 342854295 /nfs/dbraw/zinc/85/42/95/342854295.db2.gz YKIHNHSTJNYTNO-UHFFFAOYSA-N 0 0 239.200 2.745 50 0 BFAARN Cc1ccc(F)c(NC(=O)c2cccnc2)c1 ZINC000012976836 342862161 /nfs/dbraw/zinc/86/21/61/342862161.db2.gz VMLJWFAOTHOHFT-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN O=C(c1cc(Cl)ccc1O)N1CCCCC1 ZINC000012978750 342862509 /nfs/dbraw/zinc/86/25/09/342862509.db2.gz DAHVZZJAJMUCLX-UHFFFAOYSA-N 0 0 239.702 2.672 50 0 BFAARN Cc1cs/c(=N\c2ccccc2)n1C ZINC000013302514 342865537 /nfs/dbraw/zinc/86/55/37/342865537.db2.gz DHCNMNPNNXRRBJ-QXMHVHEDSA-N 0 0 204.298 2.627 50 0 BFAARN CCCc1sc(C(N)=O)cc1Br ZINC000013324030 342865814 /nfs/dbraw/zinc/86/58/14/342865814.db2.gz YMMFLXQKSVZKNR-UHFFFAOYSA-N 0 0 248.145 2.562 50 0 BFAARN CCc1c(C)scc1C(=O)NC(C)C ZINC000013329688 342865857 /nfs/dbraw/zinc/86/58/57/342865857.db2.gz MFOBZCPSDJWCNK-UHFFFAOYSA-N 0 0 211.330 2.757 50 0 BFAARN Cc1cc(Br)cc2c[nH]nc21 ZINC000013572866 342867863 /nfs/dbraw/zinc/86/78/63/342867863.db2.gz OUNQFZFHLJLFAR-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN O=c1[nH]nc(-c2cccs2)c2ccccc12 ZINC000013597973 342868301 /nfs/dbraw/zinc/86/83/01/342868301.db2.gz WFVUDUWXXLCTTM-UHFFFAOYSA-N 0 0 228.276 2.652 50 0 BFAARN Cc1ccc(O)c(C(=O)Nc2ccccc2)c1 ZINC000013589775 342868371 /nfs/dbraw/zinc/86/83/71/342868371.db2.gz ZZNJVMSZYBNIAC-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN CCCCCNC(=O)c1cc(C)oc1C ZINC000032719798 342869171 /nfs/dbraw/zinc/86/91/71/342869171.db2.gz YKKRJSVBQDHZJW-UHFFFAOYSA-N 0 0 209.289 2.816 50 0 BFAARN O=C(CCc1ccccc1F)Nc1ccncc1 ZINC000032725977 342870193 /nfs/dbraw/zinc/87/01/93/342870193.db2.gz VCAVEAJSWLAWHD-UHFFFAOYSA-N 0 0 244.269 2.792 50 0 BFAARN O=C(CCc1ccsc1)N1CCCCC1 ZINC000032731143 342870696 /nfs/dbraw/zinc/87/06/96/342870696.db2.gz BUSUQAQCUGJIOR-UHFFFAOYSA-N 0 0 223.341 2.693 50 0 BFAARN CC(=O)Nc1ccc(NC(=O)CC(C)C)cc1C ZINC000032753742 342873469 /nfs/dbraw/zinc/87/34/69/342873469.db2.gz MPGXYVNSHWBWPW-UHFFFAOYSA-N 0 0 248.326 2.938 50 0 BFAARN Cc1cc(C)nc(N2CCc3ccccc32)n1 ZINC000032769730 342874260 /nfs/dbraw/zinc/87/42/60/342874260.db2.gz WQAOMMSEBGAKKV-UHFFFAOYSA-N 0 0 225.295 2.788 50 0 BFAARN CC(C)CN(C(=O)Nc1cccnc1)C1CC1 ZINC000032779609 342874966 /nfs/dbraw/zinc/87/49/66/342874966.db2.gz PZUYFWJFAHWEQR-UHFFFAOYSA-N 0 0 233.315 2.734 50 0 BFAARN Cc1cc(C)cc(OC(=O)c2cnc(C)cn2)c1 ZINC000014161667 342877734 /nfs/dbraw/zinc/87/77/34/342877734.db2.gz WBERZFSSZLHZHZ-UHFFFAOYSA-N 0 0 242.278 2.621 50 0 BFAARN Cc1oc(-c2ccccc2)nc1C(=O)NC(C)C ZINC000012881083 342859837 /nfs/dbraw/zinc/85/98/37/342859837.db2.gz UHEPHAZEFJBNBJ-UHFFFAOYSA-N 0 0 244.294 2.788 50 0 BFAARN Cc1ccc(C(=O)NC2CC2)cc1NC1CCC1 ZINC000095457154 398316574 /nfs/dbraw/zinc/31/65/74/398316574.db2.gz DXZLKIRPLFTQAM-UHFFFAOYSA-N 0 0 244.338 2.852 50 0 BFAARN CCN(CC)C(=O)/C=C\c1cccc(F)c1 ZINC000096405082 398317399 /nfs/dbraw/zinc/31/73/99/398317399.db2.gz KASHECISPCZYEU-HJWRWDBZSA-N 0 0 221.275 2.707 50 0 BFAARN Nc1nc2c(ccc(Cl)c2F)s1 ZINC000015442795 342896360 /nfs/dbraw/zinc/89/63/60/342896360.db2.gz RWUOSOHBOYWICN-UHFFFAOYSA-N 0 0 202.641 2.671 50 0 BFAARN Cc1ccc(Br)c2nc(N)sc21 ZINC000015442806 342896411 /nfs/dbraw/zinc/89/64/11/342896411.db2.gz PYZZROCLYVMLNB-UHFFFAOYSA-N 0 0 243.129 2.949 50 0 BFAARN Nc1cc(Cl)c(Br)cc1F ZINC000015444541 342896519 /nfs/dbraw/zinc/89/65/19/342896519.db2.gz SKJMNEFZWYBTHT-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN Cc1ccc(CNC(=O)Cc2ccsc2)cc1 ZINC000015623951 342898517 /nfs/dbraw/zinc/89/85/17/342898517.db2.gz QWNYUGBXSGZZQN-UHFFFAOYSA-N 0 0 245.347 2.915 50 0 BFAARN CC(C)c1ccc(-n2cc(C=O)cn2)cc1 ZINC000014608612 342882652 /nfs/dbraw/zinc/88/26/52/342882652.db2.gz WNMZTFXCGJBJIV-UHFFFAOYSA-N 0 0 214.268 2.808 50 0 BFAARN Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000014629351 342882838 /nfs/dbraw/zinc/88/28/38/342882838.db2.gz DWXJHRYYUSBBHE-SNVBAGLBSA-N 0 0 241.718 2.870 50 0 BFAARN COC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000015014933 342890608 /nfs/dbraw/zinc/89/06/08/342890608.db2.gz OWZHLLOIYGLVQZ-UHFFFAOYSA-N 0 0 222.259 2.811 50 0 BFAARN COC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000015014924 342890629 /nfs/dbraw/zinc/89/06/29/342890629.db2.gz UCWUIUWJHZEMAL-UHFFFAOYSA-N 0 0 210.660 2.545 50 0 BFAARN Cc1csc(CNC(=O)C2CCCCC2)n1 ZINC000032882224 342893182 /nfs/dbraw/zinc/89/31/82/342893182.db2.gz GDDCJLNVNKBLQB-UHFFFAOYSA-N 0 0 238.356 2.648 50 0 BFAARN O=C1COc2c1cc(Cl)cc2Cl ZINC000016083117 342905773 /nfs/dbraw/zinc/90/57/73/342905773.db2.gz UUSSNGDCNFQCII-UHFFFAOYSA-N 0 0 203.024 2.569 50 0 BFAARN CCCC[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C ZINC000016125352 342906665 /nfs/dbraw/zinc/90/66/65/342906665.db2.gz RZUVQBCRNRHRSJ-SNVBAGLBSA-N 0 0 241.331 2.755 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc(F)cc1C=O ZINC000016159807 342907628 /nfs/dbraw/zinc/90/76/28/342907628.db2.gz KRTNPYAOWNCJNZ-UHFFFAOYSA-N 0 0 239.246 2.985 50 0 BFAARN CC(=O)Nc1ccc(OC(F)(F)F)cc1C ZINC000016159773 342907642 /nfs/dbraw/zinc/90/76/42/342907642.db2.gz PORWMQQDFCDCPW-UHFFFAOYSA-N 0 0 233.189 2.852 50 0 BFAARN CCc1ccc(C(=O)NCc2cccnc2)s1 ZINC000016604534 342913181 /nfs/dbraw/zinc/91/31/81/342913181.db2.gz ZOKOLTAZAHNYKH-UHFFFAOYSA-N 0 0 246.335 2.636 50 0 BFAARN Cn1c(=S)[nH]nc1[C@@H]1C[C@@H]1c1ccccc1 ZINC000015933418 342903311 /nfs/dbraw/zinc/90/33/11/342903311.db2.gz DHIIASXOBAVUMS-NXEZZACHSA-N 0 0 231.324 2.749 50 0 BFAARN CC(C)CC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000032908858 342903394 /nfs/dbraw/zinc/90/33/94/342903394.db2.gz VNYOJEFOEJUVEF-CQSZACIVSA-N 0 0 247.338 2.633 50 0 BFAARN Cc1cc(N)c(C)c(Br)c1 ZINC000215011567 342926543 /nfs/dbraw/zinc/92/65/43/342926543.db2.gz IKZHDRSMCPLBMQ-UHFFFAOYSA-N 0 0 200.079 2.648 50 0 BFAARN Nc1cc2cc[nH]c2c(Br)c1 ZINC000016678021 342914116 /nfs/dbraw/zinc/91/41/16/342914116.db2.gz IDSDTLAEQBFCMV-UHFFFAOYSA-N 0 0 211.062 2.513 50 0 BFAARN Fc1cccc(-c2nc3cc[nH]cc-3n2)c1F ZINC000016697859 342914247 /nfs/dbraw/zinc/91/42/47/342914247.db2.gz YHWRNLFLGWSRMG-UHFFFAOYSA-N 0 0 231.205 2.903 50 0 BFAARN Cc1cc(=O)[nH]c2cc(Br)ccc12 ZINC000016981095 342918543 /nfs/dbraw/zinc/91/85/43/342918543.db2.gz VLVDHSVVOTZPAH-UHFFFAOYSA-N 0 0 238.084 2.599 50 0 BFAARN Cc1cc(N)n(-c2nc3ccc(F)cc3s2)n1 ZINC000017012092 342919082 /nfs/dbraw/zinc/91/90/82/342919082.db2.gz CDXBNEQKXSVVJQ-UHFFFAOYSA-N 0 0 248.286 2.512 50 0 BFAARN Clc1ccc(CSc2nc[nH]n2)cc1 ZINC000018190599 342933715 /nfs/dbraw/zinc/93/37/15/342933715.db2.gz IPYLPWUQKVUWGY-UHFFFAOYSA-N 0 0 225.704 2.750 50 0 BFAARN CC(C)c1csc(NC(=O)c2ccncc2)n1 ZINC000010637047 342934307 /nfs/dbraw/zinc/93/43/07/342934307.db2.gz KNEAZLNVEFKPPK-UHFFFAOYSA-N 0 0 247.323 2.914 50 0 BFAARN Clc1c[nH]c2ncc(Br)cc12 ZINC000019045516 342940994 /nfs/dbraw/zinc/94/09/94/342940994.db2.gz DRLODJQNNSYVRH-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Clc1ccnc2[nH]cc(Br)c21 ZINC000019046141 342941011 /nfs/dbraw/zinc/94/10/11/342941011.db2.gz QLGXTRWCWHBPDP-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Cc1ccc(Cl)cc1Nc1nc(O)cs1 ZINC000012341769 346893400 /nfs/dbraw/zinc/89/34/00/346893400.db2.gz VEGWOXYLBBDERR-UHFFFAOYSA-N 0 0 240.715 2.690 50 0 BFAARN CCC(CC)c1nc2ccccc2c(=O)[nH]1 ZINC000008696067 168411320 /nfs/dbraw/zinc/41/13/20/168411320.db2.gz DGZCUHOYKJKTSP-UHFFFAOYSA-N 0 0 216.284 2.827 50 0 BFAARN Nc1ccc(-c2nc3ccccc3s2)cn1 ZINC000019229968 342944293 /nfs/dbraw/zinc/94/42/93/342944293.db2.gz IOUXHHSEJFVUMU-UHFFFAOYSA-N 0 0 227.292 2.941 50 0 BFAARN Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1 ZINC000019440696 342949097 /nfs/dbraw/zinc/94/90/97/342949097.db2.gz ARQPOUUYHJOGFQ-UHFFFAOYSA-N 0 0 228.082 2.966 50 0 BFAARN CC(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000019503000 342950168 /nfs/dbraw/zinc/95/01/68/342950168.db2.gz WLTPFXQNFLAKQT-UHFFFAOYSA-N 0 0 218.174 2.830 50 0 BFAARN O=C1CCc2cc(C(F)(F)F)ccc21 ZINC000019615593 342952185 /nfs/dbraw/zinc/95/21/85/342952185.db2.gz AHSXMYSALCGWSP-UHFFFAOYSA-N 0 0 200.159 2.834 50 0 BFAARN CCCCOc1ccc(CN2CCOCC2)cc1 ZINC000019635006 342952722 /nfs/dbraw/zinc/95/27/22/342952722.db2.gz NYZAGQBRGGNDHU-UHFFFAOYSA-N 0 0 249.354 2.698 50 0 BFAARN CCc1nc(SCc2ccc(C)cc2)n[nH]1 ZINC000005686696 346903607 /nfs/dbraw/zinc/90/36/07/346903607.db2.gz UCLDBGGKTLKDDG-UHFFFAOYSA-N 0 0 233.340 2.968 50 0 BFAARN CC[C@@H](C)Nc1ccc(OC)c(OC)c1 ZINC000019908852 342962729 /nfs/dbraw/zinc/96/27/29/342962729.db2.gz ANDNTVAZWIPHII-SECBINFHSA-N 0 0 209.289 2.914 50 0 BFAARN CC[C@@H](C)CNc1ccc2c(c1)OCO2 ZINC000020093013 342968837 /nfs/dbraw/zinc/96/88/37/342968837.db2.gz NKURNCLAWDCGQM-SECBINFHSA-N 0 0 207.273 2.873 50 0 BFAARN COC(=O)Cc1ccc(OC(C)(C)C)cc1 ZINC000020134086 342971036 /nfs/dbraw/zinc/97/10/36/342971036.db2.gz ABVZZNOBKKECQW-UHFFFAOYSA-N 0 0 222.284 2.579 50 0 BFAARN Nc1cc(C(=O)NC2CCCC2)ccc1Cl ZINC000020193600 342975540 /nfs/dbraw/zinc/97/55/40/342975540.db2.gz ZANJJDXTYNFONJ-UHFFFAOYSA-N 0 0 238.718 2.595 50 0 BFAARN CNc1ccc(Br)c(C)c1 ZINC000020045386 342967164 /nfs/dbraw/zinc/96/71/64/342967164.db2.gz KTOXSFXMKFCJGE-UHFFFAOYSA-N 0 0 200.079 2.799 50 0 BFAARN CCOc1cccc([C@@H](C)NC(=O)NC2CC2)c1 ZINC000020538100 342990188 /nfs/dbraw/zinc/99/01/88/342990188.db2.gz NITZVQIXZPRZSC-SNVBAGLBSA-N 0 0 248.326 2.608 50 0 BFAARN Nc1ncc(Cc2ccc(F)cc2F)s1 ZINC000020284178 342980298 /nfs/dbraw/zinc/98/02/98/342980298.db2.gz XXQAHJQHKJCMSF-UHFFFAOYSA-N 0 0 226.251 2.594 50 0 BFAARN Cc1ccc(N[C@H](C)C(=O)NCC(C)C)cc1 ZINC000020313112 342981585 /nfs/dbraw/zinc/98/15/85/342981585.db2.gz SLDUTBQBFKWXGH-GFCCVEGCSA-N 0 0 234.343 2.568 50 0 BFAARN O=c1[nH]c2ccccc2n1Cc1ccccc1F ZINC000041286354 342995858 /nfs/dbraw/zinc/99/58/58/342995858.db2.gz DMPPFVOVTASCKL-UHFFFAOYSA-N 0 0 242.253 2.517 50 0 BFAARN CN1C(=O)c2ccccc2N[C@H]1c1ccccc1 ZINC000020936231 342999852 /nfs/dbraw/zinc/99/98/52/342999852.db2.gz ROWPKSZILRECDM-CQSZACIVSA-N 0 0 238.290 2.883 50 0 BFAARN CCOc1nnc(Cl)c2ccccc21 ZINC000021297106 343008770 /nfs/dbraw/zinc/00/87/70/343008770.db2.gz KQLFVZGMRLYYBY-UHFFFAOYSA-N 0 0 208.648 2.682 50 0 BFAARN CC(C)(C)CC(=O)NCc1ccccc1F ZINC000021269867 343008888 /nfs/dbraw/zinc/00/88/88/343008888.db2.gz IMSKGVUSIXYXPD-UHFFFAOYSA-N 0 0 223.291 2.878 50 0 BFAARN CCOc1ccc(-c2nc(CO)cs2)cc1 ZINC000021953173 343029867 /nfs/dbraw/zinc/02/98/67/343029867.db2.gz BZJOOWLXRWPVKT-UHFFFAOYSA-N 0 0 235.308 2.701 50 0 BFAARN Nc1cc(Cl)ccc1OC(F)(F)F ZINC000021984714 343032088 /nfs/dbraw/zinc/03/20/88/343032088.db2.gz KSBUTBXMRFVLND-UHFFFAOYSA-N 0 0 211.570 2.821 50 0 BFAARN Cc1ccc(F)cc1NC(=O)[C@@H]1C[C@H]1C ZINC000005698977 346918008 /nfs/dbraw/zinc/91/80/08/346918008.db2.gz FRGJTDTVLSBURU-PSASIEDQSA-N 0 0 207.248 2.729 50 0 BFAARN Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000022221277 343044892 /nfs/dbraw/zinc/04/48/92/343044892.db2.gz AOQXJXJNVGKOTO-UHFFFAOYSA-N 0 0 242.250 2.994 50 0 BFAARN CC(C)=CC(=O)NCCc1c[nH]c2ccccc12 ZINC000022928700 343057166 /nfs/dbraw/zinc/05/71/66/343057166.db2.gz WHINZRLOLUOGJO-UHFFFAOYSA-N 0 0 242.322 2.793 50 0 BFAARN CC(C)(C)NC(=O)c1ccc(F)c(F)c1F ZINC000023119831 343059170 /nfs/dbraw/zinc/05/91/70/343059170.db2.gz UKPRCQAETGMCBB-UHFFFAOYSA-N 0 0 231.217 2.632 50 0 BFAARN CC(C)(C)c1cn(Cc2ccccc2F)nn1 ZINC000072160474 343062388 /nfs/dbraw/zinc/06/23/88/343062388.db2.gz UPJHIUNYWHPWIT-UHFFFAOYSA-N 0 0 233.290 2.763 50 0 BFAARN Cc1ccc(NC(=O)N[C@@H](C)C2CC2)cc1 ZINC000023990206 343068276 /nfs/dbraw/zinc/06/82/76/343068276.db2.gz UUAMFQYJHNXPCL-JTQLQIEISA-N 0 0 218.300 2.915 50 0 BFAARN Cc1c(Cl)cccc1NC(=O)c1cnn(C)c1 ZINC000024014464 343068323 /nfs/dbraw/zinc/06/83/23/343068323.db2.gz APLIZXLIRBFMQQ-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN Cc1cccc(CNc2ccccc2C(N)=O)c1 ZINC000010939475 343069276 /nfs/dbraw/zinc/06/92/76/343069276.db2.gz YZKYMFWGOOSUGP-UHFFFAOYSA-N 0 0 240.306 2.706 50 0 BFAARN CC(C)=CC(=O)Nc1nnc(-c2ccco2)s1 ZINC000042618478 362013106 /nfs/dbraw/zinc/01/31/06/362013106.db2.gz PRWMNFHICGDYBB-UHFFFAOYSA-N 0 0 249.295 2.703 50 0 BFAARN CCCCCNc1nn2cc(C)nc2s1 ZINC000026690501 343107733 /nfs/dbraw/zinc/10/77/33/343107733.db2.gz LIGPAWXNAKBCKZ-UHFFFAOYSA-N 0 0 224.333 2.701 50 0 BFAARN CCOc1ccc([C@H](C)NC(=O)OC)cc1 ZINC000013329286 362102387 /nfs/dbraw/zinc/10/23/87/362102387.db2.gz MWBUXXDVDRQLRY-VIFPVBQESA-N 0 0 223.272 2.502 50 0 BFAARN O=c1c2ccccc2oc2c1CCCC2 ZINC000039207516 343121391 /nfs/dbraw/zinc/12/13/91/343121391.db2.gz OPRFTHPXVIXGNH-UHFFFAOYSA-N 0 0 200.237 2.672 50 0 BFAARN CC(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000078798097 187233648 /nfs/dbraw/zinc/23/36/48/187233648.db2.gz GNWHAUUKKWBJOA-UHFFFAOYSA-N 0 0 221.304 2.806 50 0 BFAARN Cc1ccsc1C(=O)N[C@@H](C)c1ccccn1 ZINC000028781068 343132719 /nfs/dbraw/zinc/13/27/19/343132719.db2.gz UZCXNRWITWXARA-JTQLQIEISA-N 0 0 246.335 2.943 50 0 BFAARN c1cc(Cn2cnc3c2CCCC3)cs1 ZINC000130461905 343180687 /nfs/dbraw/zinc/18/06/87/343180687.db2.gz VWIZVOYJZPMTIF-UHFFFAOYSA-N 0 0 218.325 2.872 50 0 BFAARN CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000000119351 187244556 /nfs/dbraw/zinc/24/45/56/187244556.db2.gz MRXZRJQRQWTKIX-UHFFFAOYSA-N 0 0 239.274 2.876 50 0 BFAARN CCOc1cnc(-c2ccc(OC)cc2)o1 ZINC000000167946 187244392 /nfs/dbraw/zinc/24/43/92/187244392.db2.gz AFQUGOKSOKISQG-UHFFFAOYSA-N 0 0 219.240 2.749 50 0 BFAARN CC(=O)OCCCCCCCCCOC(C)=O ZINC000001684744 187245557 /nfs/dbraw/zinc/24/55/57/187245557.db2.gz JAEVCKMMGIFOCL-UHFFFAOYSA-N 0 0 244.331 2.843 50 0 BFAARN CC(=O)Nc1ccc2c(c1)C(C)(C)[C@H](C)N2C ZINC000003164999 187245957 /nfs/dbraw/zinc/24/59/57/187245957.db2.gz BVRISEIGABVOQV-VIFPVBQESA-N 0 0 232.327 2.761 50 0 BFAARN CCOC(=O)c1ccccc1C(=O)C1CCC1 ZINC000002514309 187246096 /nfs/dbraw/zinc/24/60/96/187246096.db2.gz QCTFLWVWPZRPSP-UHFFFAOYSA-N 0 0 232.279 2.846 50 0 BFAARN CC[C@@H]1CC1(Br)Br ZINC000003051610 187246324 /nfs/dbraw/zinc/24/63/24/187246324.db2.gz QWHIOLSPEIYIOK-SCSAIBSYSA-N 0 0 227.927 2.902 50 0 BFAARN CCCc1c(C)sc(N)c1C(=O)OCC ZINC000030834182 343208516 /nfs/dbraw/zinc/20/85/16/343208516.db2.gz OQRFPSLYIKSWTO-UHFFFAOYSA-N 0 0 227.329 2.768 50 0 BFAARN COc1ccccc1NC(=O)C(C)(C)C ZINC000005726576 187248349 /nfs/dbraw/zinc/24/83/49/187248349.db2.gz DEAXWXKYKLQHPE-UHFFFAOYSA-N 0 0 207.273 2.680 50 0 BFAARN c1csc([C@@H]2CN3C=CSC3=N2)c1 ZINC000006093619 187248740 /nfs/dbraw/zinc/24/87/40/187248740.db2.gz RFOLEEQBNNSICL-ZETCQYMHSA-N 0 0 208.311 2.679 50 0 in-man BFAARN CC(=O)Nc1sc(C)c(C)c1C(C)=O ZINC000000040138 187244603 /nfs/dbraw/zinc/24/46/03/187244603.db2.gz RERSQDRZDBHETN-UHFFFAOYSA-N 0 0 211.286 2.526 50 0 BFAARN Cc1ccc(NC(=S)NC(C)C)cc1 ZINC000000715786 187244959 /nfs/dbraw/zinc/24/49/59/187244959.db2.gz NXHQZFFTOBBUCV-UHFFFAOYSA-N 0 0 208.330 2.690 50 0 BFAARN COc1ccc(Br)c(C(C)=O)c1 ZINC000001678778 187245025 /nfs/dbraw/zinc/24/50/25/187245025.db2.gz YOUSWNMOPSGTSG-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN Cc1cc(Br)cc2cnn(C)c21 ZINC000030678531 343193337 /nfs/dbraw/zinc/19/33/37/343193337.db2.gz LKDVGRQGTBBLIS-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN NN=c1[nH]c2ccc3ccccc3c2s1 ZINC000032500105 343236652 /nfs/dbraw/zinc/23/66/52/343236652.db2.gz HZYILFQYTUJPBW-UHFFFAOYSA-N 0 0 215.281 2.735 50 0 BFAARN CN(C)c1nc(C(F)(F)F)nc2ccccc21 ZINC000032544655 343237438 /nfs/dbraw/zinc/23/74/38/343237438.db2.gz QBQMIMDXMNMXKK-UHFFFAOYSA-N 0 0 241.216 2.715 50 0 BFAARN CC(=O)N/C(=C/c1ccccc1)c1ccncc1 ZINC000036382734 187249170 /nfs/dbraw/zinc/24/91/70/187249170.db2.gz ULPZGKIBGCELCI-RVDMUPIBSA-N 0 0 238.290 2.716 50 0 BFAARN Nc1cc(-c2cccc(Br)c2)no1 ZINC000008729811 187249453 /nfs/dbraw/zinc/24/94/53/187249453.db2.gz QDLXPXDDINSMEW-UHFFFAOYSA-N 0 0 239.072 2.686 50 0 BFAARN CCN(CC)C(=O)c1cn(C)c2ccccc12 ZINC000032738566 343241293 /nfs/dbraw/zinc/24/12/93/343241293.db2.gz ZIPQBIFTODRTQG-UHFFFAOYSA-N 0 0 230.311 2.660 50 0 BFAARN Cc1nc(C)c(C(=O)Nc2cc(C)ccn2)s1 ZINC000048312536 343242193 /nfs/dbraw/zinc/24/21/93/343242193.db2.gz YLADRVPVTNXNGA-UHFFFAOYSA-N 0 0 247.323 2.716 50 0 BFAARN Cc1ccc(NC(=O)[C@@H]2CC=CCC2)nc1 ZINC000032843879 343243344 /nfs/dbraw/zinc/24/33/44/343243344.db2.gz UEJYPMVCWLBBCH-LLVKDONJSA-N 0 0 216.284 2.685 50 0 BFAARN Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000033425109 343253791 /nfs/dbraw/zinc/25/37/91/343253791.db2.gz KLRUDTNBNBHCES-UHFFFAOYSA-N 0 0 225.597 2.863 50 0 BFAARN CSCc1nnc(SCC(C)C)o1 ZINC000048396473 343259483 /nfs/dbraw/zinc/25/94/83/343259483.db2.gz BPLXVWUXOIMPMN-UHFFFAOYSA-N 0 0 218.347 2.681 50 0 BFAARN Oc1ccccc1[C@H](O)Cc1ccccc1 ZINC000034069196 343263720 /nfs/dbraw/zinc/26/37/20/343263720.db2.gz OQOCSCWMMZVDHS-CQSZACIVSA-N 0 0 214.264 2.668 50 0 BFAARN CC(C)Cn1cnc2c1c1ccccc1nc2N ZINC000019632912 187252740 /nfs/dbraw/zinc/25/27/40/187252740.db2.gz DOUYETYNHWVLEO-UHFFFAOYSA-N 0 0 240.310 2.823 50 0 fda BFAARN FC(F)c1cccc(Br)n1 ZINC000034217100 343266645 /nfs/dbraw/zinc/26/66/45/343266645.db2.gz ZTBGDNNRDRISQZ-UHFFFAOYSA-N 0 0 208.005 2.782 50 0 BFAARN Nc1cc(OCc2ccccc2)ccc1O ZINC000034240038 343266876 /nfs/dbraw/zinc/26/68/76/343266876.db2.gz STOOCDNLVDBYAP-UHFFFAOYSA-N 0 0 215.252 2.553 50 0 BFAARN Cc1ccc2[nH]c3c(c2c1)CCC[C@@]3(C)C(N)=O ZINC000004030553 343272897 /nfs/dbraw/zinc/27/28/97/343272897.db2.gz GFJVQPVBWHGBRJ-OAHLLOKOSA-N 0 0 242.322 2.556 50 0 BFAARN C[C@H]1CN=C(Nc2cccc(Cl)c2)O1 ZINC000004867514 343273409 /nfs/dbraw/zinc/27/34/09/343273409.db2.gz KEOCDTVZPUSMRH-ZETCQYMHSA-N 0 0 210.664 2.527 50 0 BFAARN CCO[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000004845708 343273468 /nfs/dbraw/zinc/27/34/68/343273468.db2.gz LNHLJTKPCVBJSS-NSHDSACASA-N 0 0 222.284 2.945 50 0 BFAARN COc1c(F)ccc(F)c1Br ZINC000036533234 343319929 /nfs/dbraw/zinc/31/99/29/343319929.db2.gz RVTSPLCYEWOMOD-UHFFFAOYSA-N 0 0 223.016 2.736 50 0 BFAARN Cc1[nH]c2c(cccc2C(=O)NCC2CC2)c1C ZINC000025675422 187254763 /nfs/dbraw/zinc/25/47/63/187254763.db2.gz ICVZPCCMJRRIKI-UHFFFAOYSA-N 0 0 242.322 2.925 50 0 BFAARN CCOc1ccc2ncnc(Cl)c2c1 ZINC000035270041 343291437 /nfs/dbraw/zinc/29/14/37/343291437.db2.gz GNWPZLGHHNOKML-UHFFFAOYSA-N 0 0 208.648 2.682 50 0 BFAARN Nc1n[nH]c2cc(Oc3ccccc3)ccc12 ZINC000035287507 343292853 /nfs/dbraw/zinc/29/28/53/343292853.db2.gz UEGGTGTXHAAHGL-UHFFFAOYSA-N 0 0 225.251 2.937 50 0 BFAARN C[C@H](C[NH2+]CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000035616592 343300954 /nfs/dbraw/zinc/30/09/54/343300954.db2.gz KISTVFSTSLWWPD-LLVKDONJSA-N 0 0 249.354 2.762 50 0 BFAARN O=C1COc2c1ccc(Cl)c2Cl ZINC000035652479 343301273 /nfs/dbraw/zinc/30/12/73/343301273.db2.gz PPVCDEHKMVBMGA-UHFFFAOYSA-N 0 0 203.024 2.569 50 0 BFAARN CCN(C(=O)c1cc(N)ccc1Cl)C(C)C ZINC000037081498 343333129 /nfs/dbraw/zinc/33/31/29/343333129.db2.gz ZIOOQQJCBHIGRE-UHFFFAOYSA-N 0 0 240.734 2.793 50 0 BFAARN CCOc1ccc(Br)cc1O ZINC000036192976 343311779 /nfs/dbraw/zinc/31/17/79/343311779.db2.gz KDVFYMIAZFIZLO-UHFFFAOYSA-N 0 0 217.062 2.553 50 0 BFAARN CCN(CC)C(=O)n1ccc2ccccc21 ZINC000038313176 343373781 /nfs/dbraw/zinc/37/37/81/343373781.db2.gz DNEILLNCDATSFX-UHFFFAOYSA-N 0 0 216.284 2.951 50 0 BFAARN CCOc1c(F)cc(C=O)cc1Cl ZINC000038529972 343376276 /nfs/dbraw/zinc/37/62/76/343376276.db2.gz PFMVCTKZAPAVHC-UHFFFAOYSA-N 0 0 202.612 2.690 50 0 BFAARN COC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000038537346 343376804 /nfs/dbraw/zinc/37/68/04/343376804.db2.gz HHMVYCHDQQBZOB-UHFFFAOYSA-N 0 0 242.278 2.536 50 0 BFAARN CCOC(=O)/C=C\c1cn(C)c2ccccc12 ZINC000033305677 187256387 /nfs/dbraw/zinc/25/63/87/187256387.db2.gz HJABZKVWSXXFAN-HJWRWDBZSA-N 0 0 229.279 2.755 50 0 BFAARN CC(C)CCC(=O)NCc1cccs1 ZINC000032994410 343353485 /nfs/dbraw/zinc/35/34/85/343353485.db2.gz YPCQVSMDRKTNFR-UHFFFAOYSA-N 0 0 211.330 2.801 50 0 BFAARN CCCn1cc(NCc2ccccc2)ccc1=O ZINC000037774852 343354781 /nfs/dbraw/zinc/35/47/81/343354781.db2.gz FCENZBWDNXXMNZ-UHFFFAOYSA-N 0 0 242.322 2.870 50 0 BFAARN CC(C)Cc1ccc(-c2ccc(=O)[nH]n2)cc1 ZINC000036168309 187258564 /nfs/dbraw/zinc/25/85/64/187258564.db2.gz AXCAYYNLSBEVJT-UHFFFAOYSA-N 0 0 228.295 2.635 50 0 BFAARN Cc1nc(C)n(CC2CCC(F)(F)CC2)n1 ZINC000335664624 136316292 /nfs/dbraw/zinc/31/62/92/136316292.db2.gz UWEJULGOTAPCFZ-UHFFFAOYSA-N 0 0 229.274 2.720 50 0 BFAARN CCc1cc(C)c(Br)cn1 ZINC000039100625 343384043 /nfs/dbraw/zinc/38/40/43/343384043.db2.gz XNCDFLWWWSYVGR-UHFFFAOYSA-N 0 0 200.079 2.715 50 0 BFAARN Nc1ccc([C@H]2OCCc3ccccc32)cc1 ZINC000039345811 343389005 /nfs/dbraw/zinc/38/90/05/343389005.db2.gz MULCWBNXWABNJA-OAHLLOKOSA-N 0 0 225.291 2.931 50 0 BFAARN Cc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)[nH]n1 ZINC000048608724 343392115 /nfs/dbraw/zinc/39/21/15/343392115.db2.gz UYMQHAMUSXYESZ-NSHDSACASA-N 0 0 243.310 2.551 50 0 BFAARN O=C1CCCNc2ccc(Br)cc21 ZINC000039931098 343393310 /nfs/dbraw/zinc/39/33/10/343393310.db2.gz XIFKOJPBXZKSAZ-UHFFFAOYSA-N 0 0 240.100 2.838 50 0 BFAARN CC(C)n1c2cc(Cl)ccc2nc1CO ZINC000040417348 343402567 /nfs/dbraw/zinc/40/25/67/343402567.db2.gz VTKYRUGOJHIQJS-UHFFFAOYSA-N 0 0 224.691 2.763 50 0 BFAARN CN(c1cc(Cl)ncn1)C1CCCCC1 ZINC000040422320 343402599 /nfs/dbraw/zinc/40/25/99/343402599.db2.gz ABMUITJUFSCJBZ-UHFFFAOYSA-N 0 0 225.723 2.899 50 0 BFAARN CC(=O)c1ccc(Br)cc1C ZINC000040435141 343402901 /nfs/dbraw/zinc/40/29/01/343402901.db2.gz UJPLWOQOYGUXEF-UHFFFAOYSA-N 0 0 213.074 2.960 50 0 BFAARN Nc1ccc2ccc(Br)cc2n1 ZINC000040435290 343403225 /nfs/dbraw/zinc/40/32/25/343403225.db2.gz VKPJHDQCHZUELB-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Nc1n[nH]c2cccc(OC3CCCCC3)c12 ZINC000040449025 343403996 /nfs/dbraw/zinc/40/39/96/343403996.db2.gz BUAYYOWTCOGQSA-UHFFFAOYSA-N 0 0 231.299 2.857 50 0 BFAARN Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000042354519 343435278 /nfs/dbraw/zinc/43/52/78/343435278.db2.gz KECMHGFWHSNIEA-UHFFFAOYSA-N 0 0 227.132 2.889 50 0 BFAARN Clc1nc(-c2ccccn2)nc2c1CCC2 ZINC000042400227 343436647 /nfs/dbraw/zinc/43/66/47/343436647.db2.gz YLKHHGBJFMFKEQ-UHFFFAOYSA-N 0 0 231.686 2.681 50 0 BFAARN CCCc1cc(Br)ccn1 ZINC000044118284 343492028 /nfs/dbraw/zinc/49/20/28/343492028.db2.gz WYLAQZLXZDHAED-UHFFFAOYSA-N 0 0 200.079 2.797 50 0 BFAARN CN(C)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000044154535 343493593 /nfs/dbraw/zinc/49/35/93/343493593.db2.gz OKEZJJABVTWCBK-UHFFFAOYSA-N 0 0 224.613 2.820 50 0 BFAARN O=C(c1ccc(C2OCCO2)s1)C1CCC1 ZINC000043210357 343465805 /nfs/dbraw/zinc/46/58/05/343465805.db2.gz MWOQIFQQAAFKLB-UHFFFAOYSA-N 0 0 238.308 2.776 50 0 BFAARN Clc1ccc2[nH]cc(Br)c2n1 ZINC000044712845 343512757 /nfs/dbraw/zinc/51/27/57/343512757.db2.gz BOICHORMLBIXPC-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN CCOc1ccc(-c2ccc(C)cc2)nn1 ZINC000044804409 343515234 /nfs/dbraw/zinc/51/52/34/343515234.db2.gz GUTBVWPUOYVZTL-UHFFFAOYSA-N 0 0 214.268 2.851 50 0 BFAARN CC(C)(C)c1ncncc1Br ZINC000039233306 187263027 /nfs/dbraw/zinc/26/30/27/187263027.db2.gz ROCULZFCNXRIKL-UHFFFAOYSA-N 0 0 215.094 2.537 50 0 BFAARN CC(C)c1ccccc1O[C@H](C)C(=O)NC1CC1 ZINC000044903463 343518559 /nfs/dbraw/zinc/51/85/59/343518559.db2.gz CFXHFYOKEYIILZ-LLVKDONJSA-N 0 0 247.338 2.856 50 0 BFAARN CC(C)Cn1nccc1NC(=O)c1cccs1 ZINC000040047289 187263247 /nfs/dbraw/zinc/26/32/47/187263247.db2.gz HAKHXSOOXKPCAF-UHFFFAOYSA-N 0 0 249.339 2.853 50 0 BFAARN CC(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000045426194 343529448 /nfs/dbraw/zinc/52/94/48/343529448.db2.gz LZKLZUCQDGLRDI-MRVPVSSYSA-N 0 0 211.692 2.879 50 0 BFAARN Cc1ccnn1-c1cccc(Br)c1 ZINC000044318329 343498263 /nfs/dbraw/zinc/49/82/63/343498263.db2.gz SOKRUOCNOJWGDW-UHFFFAOYSA-N 0 0 237.100 2.943 50 0 BFAARN CC[C@@H](C)N(C)C(=O)Nc1ccccc1OC ZINC000047275260 343560427 /nfs/dbraw/zinc/56/04/27/343560427.db2.gz HWSLXJNIRWEXTO-SNVBAGLBSA-N 0 0 236.315 2.957 50 0 BFAARN CCOc1ccc(NC(=O)NC2CC2)cc1F ZINC000048696600 343586398 /nfs/dbraw/zinc/58/63/98/343586398.db2.gz JSSZIVUNFNICAS-UHFFFAOYSA-N 0 0 238.262 2.508 50 0 BFAARN CC(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000049479819 343600233 /nfs/dbraw/zinc/60/02/33/343600233.db2.gz VEWKIPBGQXNOKN-ZDUSSCGKSA-N 0 0 217.312 2.935 50 0 BFAARN COCc1ccc(F)cc1Br ZINC000049600920 343604447 /nfs/dbraw/zinc/60/44/47/343604447.db2.gz CWCNNEIMQLLAQI-UHFFFAOYSA-N 0 0 219.053 2.735 50 0 BFAARN Cc1ccc(C(=O)c2ccnc(C)c2)cc1 ZINC000045038436 187269127 /nfs/dbraw/zinc/26/91/27/187269127.db2.gz NUZKWMFJLDNOLU-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN CCC(=O)C1=C(O)CC[C@@H](C(C)(C)C)C1 ZINC000043651711 343696691 /nfs/dbraw/zinc/69/66/91/343696691.db2.gz UUOALHMQTJPKOY-ZJUUUORDSA-N 0 0 210.317 2.997 50 0 BFAARN Brc1nc(-c2ccccc2)ns1 ZINC000047845005 187269345 /nfs/dbraw/zinc/26/93/45/187269345.db2.gz ZRWWEJIHJFHGTH-UHFFFAOYSA-N 0 0 241.113 2.968 50 0 BFAARN Cc1ccc(C(=O)c2cccc(F)c2)cn1 ZINC000045029061 187269654 /nfs/dbraw/zinc/26/96/54/187269654.db2.gz FIFJUOVHROPAMK-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN CCCCSc1nnc(NC(=O)CC)s1 ZINC000006739837 349840614 /nfs/dbraw/zinc/84/06/14/349840614.db2.gz SGAFITGKUXGHMS-UHFFFAOYSA-N 0 0 245.373 2.779 50 0 BFAARN CCc1cc(C(=O)Nc2ccc(C)cc2)no1 ZINC000021775681 343737971 /nfs/dbraw/zinc/73/79/71/343737971.db2.gz VSQDMNHLTPWZTK-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN Cc1[nH]c2ccccc2c1C[C@@H]1C[C@@H](C)OC1=O ZINC000000518771 346959959 /nfs/dbraw/zinc/95/99/59/346959959.db2.gz LBCSSFHBUUXFJE-KOLCDFICSA-N 0 0 243.306 2.970 50 0 biogenic BFAARN Cn1ccc2cc(C(=O)NC(C)(C)C)ccc21 ZINC000064551706 187273673 /nfs/dbraw/zinc/27/36/73/187273673.db2.gz YDTJLNOYFHUBHN-UHFFFAOYSA-N 0 0 230.311 2.707 50 0 BFAARN COc1ccc(CNc2nccc(Cl)n2)cc1 ZINC000057331269 187272725 /nfs/dbraw/zinc/27/27/25/187272725.db2.gz YUYSFLXALHXZIQ-UHFFFAOYSA-N 0 0 249.701 2.751 50 0 BFAARN O=C(Oc1cccnc1)c1cccc(Cl)c1 ZINC000000541235 346994209 /nfs/dbraw/zinc/99/42/09/346994209.db2.gz DKJMMRRCBINSFH-UHFFFAOYSA-N 0 0 233.654 2.954 50 0 BFAARN CC(C)c1cncc(Br)c1 ZINC000072193473 187276466 /nfs/dbraw/zinc/27/64/66/187276466.db2.gz CBHRRNLHWWFNCS-UHFFFAOYSA-N 0 0 200.079 2.968 50 0 BFAARN CC(C)C(=O)C1=C(O)CC[C@@H](C(C)C)C1 ZINC000112750749 537822493 /nfs/dbraw/zinc/82/24/93/537822493.db2.gz GFCMCMHCUZLQMA-GHMZBOCLSA-N 0 0 210.317 2.853 50 0 BFAARN CCC[C@H]1CCC(O)=C(C(=O)C(C)C)C1 ZINC000112750722 537822973 /nfs/dbraw/zinc/82/29/73/537822973.db2.gz JZHIEWWMIAUPCM-WDEREUQCSA-N 0 0 210.317 2.997 50 0 BFAARN CC(C)CNC(=O)CCc1ccc2[nH]ccc2c1 ZINC000075550717 187277321 /nfs/dbraw/zinc/27/73/21/187277321.db2.gz ISYFPWYCEDQMDH-UHFFFAOYSA-N 0 0 244.338 2.873 50 0 BFAARN C/C=C/CS[C@@H](C)C(=O)NC1CCCC1 ZINC000075607196 187277736 /nfs/dbraw/zinc/27/77/36/187277736.db2.gz SVASQDZITJCGJW-FSIBCCDJSA-N 0 0 227.373 2.743 50 0 BFAARN CN(C)Cc1csc(-c2ccccc2)n1 ZINC000000023311 343913549 /nfs/dbraw/zinc/91/35/49/343913549.db2.gz YSCWICCOTMTXOL-UHFFFAOYSA-N 0 0 218.325 2.872 50 0 BFAARN CCCn1cc(C(=O)N2CCCCCC2)c(C)n1 ZINC000091706559 187287007 /nfs/dbraw/zinc/28/70/07/187287007.db2.gz MPWVVVDHQDGAHX-UHFFFAOYSA-N 0 0 249.358 2.618 50 0 BFAARN Cc1cc2cccnc2c(N[C@H]2CCOC2)c1 ZINC000097231592 344102491 /nfs/dbraw/zinc/10/24/91/344102491.db2.gz NIORUXYDTGAIDK-LBPRGKRZSA-N 0 0 228.295 2.744 50 0 BFAARN C/C=C(\F)C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000585141021 344172816 /nfs/dbraw/zinc/17/28/16/344172816.db2.gz NOCJOUWGVCSRJJ-MFUWOIKSSA-N 0 0 249.285 2.890 50 0 BFAARN CC[C@]1(C)OC(=O)N(c2ccc(C)cc2)[C@@]1(C)O ZINC000000062823 344133805 /nfs/dbraw/zinc/13/38/05/344133805.db2.gz XMWMXPJLPCRTIY-KBPBESRZSA-N 0 0 249.310 2.829 50 0 BFAARN CC1(C)OC(=O)c2cc(Br)ccc21 ZINC000088190219 344142402 /nfs/dbraw/zinc/14/24/02/344142402.db2.gz OIAQBIFAALGMAC-UHFFFAOYSA-N 0 0 241.084 2.855 50 0 BFAARN Cc1nc(CN(CC(F)(F)F)C2CC2)[nH]c1C ZINC000585136265 344148686 /nfs/dbraw/zinc/14/86/86/344148686.db2.gz YLHDIHITHADUJJ-UHFFFAOYSA-N 0 0 247.264 2.553 50 0 BFAARN Clc1c[nH]c2c1nc(Cl)nc2Cl ZINC000095930356 187288871 /nfs/dbraw/zinc/28/88/71/187288871.db2.gz YKSHOCBYNLDZIM-UHFFFAOYSA-N 0 0 222.462 2.918 50 0 BFAARN CC(=O)N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000097372167 187289432 /nfs/dbraw/zinc/28/94/32/187289432.db2.gz VVAAUXMUQTYKCB-CYBMUJFWSA-N 0 0 217.312 2.639 50 0 BFAARN CC(=O)C(Sc1ccc(Cl)cc1)=C(C)O ZINC000100065170 187290857 /nfs/dbraw/zinc/29/08/57/187290857.db2.gz GJLNLPQGSJDWOM-UHFFFAOYSA-N 0 0 242.727 2.979 50 0 BFAARN C[C@@H]1CCCCCN1C(=O)C1CC=CC1 ZINC000104131551 187291424 /nfs/dbraw/zinc/29/14/24/187291424.db2.gz HWJRXOSXSXDYTJ-LLVKDONJSA-N 0 0 207.317 2.744 50 0 BFAARN Cc1cc(C)cc(NC(=O)CCn2cccn2)c1 ZINC000020602936 344522873 /nfs/dbraw/zinc/52/28/73/344522873.db2.gz XWDNLORIMMQODJ-UHFFFAOYSA-N 0 0 243.310 2.529 50 0 BFAARN COc1c(Cl)ccnc1C(F)(F)F ZINC000085344962 344523575 /nfs/dbraw/zinc/52/35/75/344523575.db2.gz KNILYBSADHVGPZ-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN Cc1sc2ncn(CC(C)C)c(=O)c2c1C ZINC000000144720 344566918 /nfs/dbraw/zinc/56/69/18/344566918.db2.gz BFMCZBUKKHSLTQ-UHFFFAOYSA-N 0 0 236.340 2.731 50 0 BFAARN O=C(Oc1ccc(F)cc1)c1ccco1 ZINC000000149039 344568478 /nfs/dbraw/zinc/56/84/78/344568478.db2.gz KDLYSFNHJAEDBB-UHFFFAOYSA-N 0 0 206.172 2.638 50 0 BFAARN CC(C)CNC(=O)Cc1ccccc1Cl ZINC000048090073 344582969 /nfs/dbraw/zinc/58/29/69/344582969.db2.gz TYSXIFWKOBIEIU-UHFFFAOYSA-N 0 0 225.719 2.655 50 0 BFAARN Cc1ccc(F)cc1NC(=O)c1cccnc1 ZINC000013325462 178690764 /nfs/dbraw/zinc/69/07/64/178690764.db2.gz QIVQTEADGBULGU-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN Cc1noc(C)c1C(=O)Nc1ccc(C)cc1 ZINC000000251933 344660540 /nfs/dbraw/zinc/66/05/40/344660540.db2.gz LTTXLODSULZMKH-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN COC1CCN(c2ccc(Cl)cc2)CC1 ZINC000113504943 344663464 /nfs/dbraw/zinc/66/34/64/344663464.db2.gz KNUKICAEIDZTAK-UHFFFAOYSA-N 0 0 225.719 2.955 50 0 BFAARN Cc1nnc(SCc2csc(C)n2)s1 ZINC000000203055 344638034 /nfs/dbraw/zinc/63/80/34/344638034.db2.gz RFKUZOGGDROWRA-UHFFFAOYSA-N 0 0 243.382 2.904 50 0 BFAARN C[C@@]12CCc3ccccc3[C@]1(C)OC(=O)O2 ZINC000000117391 344647625 /nfs/dbraw/zinc/64/76/25/344647625.db2.gz RZFWPUPZZRXZLU-OLZOCXBDSA-N 0 0 218.252 2.774 50 0 BFAARN CC[C@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccccc1 ZINC000000226615 344648519 /nfs/dbraw/zinc/64/85/19/344648519.db2.gz BXCYIBCBVGYMFT-NEPJUHHUSA-N 0 0 246.306 2.906 50 0 BFAARN C[C@H](Cc1ccccc1)NC(=O)C1CCC1 ZINC000000355266 344725010 /nfs/dbraw/zinc/72/50/10/344725010.db2.gz HZJJJNWTUSNFFH-LLVKDONJSA-N 0 0 217.312 2.534 50 0 BFAARN O=C(Oc1ccccc1O)c1cccs1 ZINC000000363858 344730060 /nfs/dbraw/zinc/73/00/60/344730060.db2.gz OXNSWOHQUGNFPP-UHFFFAOYSA-N 0 0 220.249 2.673 50 0 BFAARN O=C1CCC[C@]2(CCCc3ccccc32)N1 ZINC000000385838 344740273 /nfs/dbraw/zinc/74/02/73/344740273.db2.gz ZKNJKXDHKLONEP-AWEZNQCLSA-N 0 0 215.296 2.518 50 0 BFAARN C[C@@H](O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000000383817 344740410 /nfs/dbraw/zinc/74/04/10/344740410.db2.gz INEZYUZGFVKXPD-LLVKDONJSA-N 0 0 241.290 2.992 50 0 BFAARN Cc1nc(C=O)c(Cl)n1-c1ccccc1 ZINC000000319629 344696626 /nfs/dbraw/zinc/69/66/26/344696626.db2.gz KFTHIJNJMLHEPW-UHFFFAOYSA-N 0 0 220.659 2.647 50 0 BFAARN O=C(CN1CCCC1)c1ccc(Cl)cc1 ZINC000000340663 344710019 /nfs/dbraw/zinc/71/00/19/344710019.db2.gz BNOJBLXRSAKZQL-UHFFFAOYSA-N 0 0 223.703 2.619 50 0 BFAARN Clc1ccc(Nc2ncnc3n[nH]cc32)cc1 ZINC000004877108 344757805 /nfs/dbraw/zinc/75/78/05/344757805.db2.gz YWMOBFXAHDWFSP-UHFFFAOYSA-N 0 0 245.673 2.750 50 0 BFAARN Cc1ccc(N2C(=O)C(C)(C)C(C)(C)C2=O)cc1 ZINC000004783281 178711187 /nfs/dbraw/zinc/71/11/87/178711187.db2.gz QSZRUWAVHJTMHV-UHFFFAOYSA-N 0 0 245.322 2.921 50 0 BFAARN Cc1ccc(N2C(=O)c3ccccc3[C@@H]2O)cc1 ZINC000004423500 178712999 /nfs/dbraw/zinc/71/29/99/178712999.db2.gz UWHQATUHQVAVJT-AWEZNQCLSA-N 0 0 239.274 2.646 50 0 BFAARN Cc1ccc(NC(=O)C2CC2)cc1OC(F)F ZINC000071908092 178721150 /nfs/dbraw/zinc/72/11/50/178721150.db2.gz GXXAGGZFBUNTOP-UHFFFAOYSA-N 0 0 241.237 2.945 50 0 BFAARN Cc1ccc(NC(=O)N(C)C)cc1Cl ZINC000000069747 178732414 /nfs/dbraw/zinc/73/24/14/178732414.db2.gz JXCGFZXSOMJFOA-UHFFFAOYSA-N 0 0 212.680 2.742 50 0 in-vitro BFAARN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1C ZINC000007638202 178745658 /nfs/dbraw/zinc/74/56/58/178745658.db2.gz QNRXZAYXVFZKQV-CMPLNLGQSA-N 0 0 203.285 2.898 50 0 BFAARN Cc1ccc(NC(=O)c2ccco2)cc1F ZINC000000038902 178753158 /nfs/dbraw/zinc/75/31/58/178753158.db2.gz FOXCEPCWZSVGPZ-UHFFFAOYSA-N 0 0 219.215 2.979 50 0 BFAARN Cc1ccc(NC(=O)c2cccnc2)c(C)c1 ZINC000000029166 178753425 /nfs/dbraw/zinc/75/34/25/178753425.db2.gz ITVBOYBDEGHEHD-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1nccc(N2CCC(C(F)(F)F)CC2)n1 ZINC000078558661 344882099 /nfs/dbraw/zinc/88/20/99/344882099.db2.gz HTAMTZWORMKABA-UHFFFAOYSA-N 0 0 245.248 2.564 50 0 BFAARN CCSc1nc(=O)c2cc(CC)sc2[nH]1 ZINC000000387976 344885717 /nfs/dbraw/zinc/88/57/17/344885717.db2.gz BMUKHTYJZOKBEG-UHFFFAOYSA-N 0 0 240.353 2.659 50 0 BFAARN Cc1nc(-n2cnnc2)ccc1C1=CCCCC1 ZINC000426740373 344929388 /nfs/dbraw/zinc/92/93/88/344929388.db2.gz FSJAGRXQUFJAAW-UHFFFAOYSA-N 0 0 240.310 2.928 50 0 BFAARN COc1ccc(OC)c(NC(=O)CC(C)C)c1 ZINC000005726976 347085750 /nfs/dbraw/zinc/08/57/50/347085750.db2.gz YVUHZVQYCFVYQB-UHFFFAOYSA-N 0 0 237.299 2.688 50 0 BFAARN CCN(CC)c1ncnc(Cl)c1Cl ZINC000238226847 344991520 /nfs/dbraw/zinc/99/15/20/344991520.db2.gz MOKXCBGLHAOZTB-UHFFFAOYSA-N 0 0 220.103 2.630 50 0 BFAARN C[C@@H]1C=C(Sc2ccccc2)C(=O)O1 ZINC000000478298 187298896 /nfs/dbraw/zinc/29/88/96/187298896.db2.gz SNDQWXNSRKBKPQ-MRVPVSSYSA-N 0 0 206.266 2.608 50 0 BFAARN COc1nccc(Cl)c1C(F)(F)F ZINC000238425437 345047165 /nfs/dbraw/zinc/04/71/65/345047165.db2.gz FCJHGIWPDHRDRK-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN Cc1ccc(OC[C@@H]2CCCCO2)c(N)c1 ZINC000014629577 178813859 /nfs/dbraw/zinc/81/38/59/178813859.db2.gz FETKKQIWHQYOCB-NSHDSACASA-N 0 0 221.300 2.525 50 0 BFAARN C/C=C\COC(=O)CSC(C)(C)C ZINC000229779326 187301297 /nfs/dbraw/zinc/30/12/97/187301297.db2.gz SVPFAWQSTZHTNU-WAYWQWQTSA-N 0 0 202.319 2.637 50 0 BFAARN COc1cc2c(C(C)=O)coc2c(C)c1 ZINC000001515397 537893033 /nfs/dbraw/zinc/89/30/33/537893033.db2.gz LGQAKUTUWTZAHI-UHFFFAOYSA-N 0 0 204.225 2.952 50 0 BFAARN Cn1c2ccccc2nc1NCc1ccncc1 ZINC000000318709 345426891 /nfs/dbraw/zinc/42/68/91/345426891.db2.gz UMCLINVFOMXKED-UHFFFAOYSA-N 0 0 238.294 2.580 50 0 BFAARN CCn1nccc1C(=O)Nc1ccc(C)c(F)c1 ZINC000000371826 229546728 /nfs/dbraw/zinc/54/67/28/229546728.db2.gz IXCQZJCCBNDVTF-UHFFFAOYSA-N 0 0 247.273 2.603 50 0 BFAARN CCO[C@@H]1C[C@@H]1C(=O)O[C@H]1CCCC[C@@H]1CC ZINC000252513906 345538090 /nfs/dbraw/zinc/53/80/90/345538090.db2.gz AREYDKSDKJMKAZ-ZDEQEGDKSA-N 0 0 240.343 2.923 50 0 BFAARN CNC(=O)N(C)C1CCC(c2ccccc2)CC1 ZINC000046905865 537900915 /nfs/dbraw/zinc/90/09/15/537900915.db2.gz KHAWZUGEEZHQSB-UHFFFAOYSA-N 0 0 246.354 2.984 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000004651195 178887358 /nfs/dbraw/zinc/88/73/58/178887358.db2.gz MNFOEAXSHGSEIY-GMXVVIOVSA-N 0 0 217.312 2.828 50 0 BFAARN CCCC(=O)N(C)CCCc1ccccc1 ZINC000046896908 168532621 /nfs/dbraw/zinc/53/26/21/168532621.db2.gz OVOCDOHRQZVLJQ-UHFFFAOYSA-N 0 0 219.328 2.878 50 0 BFAARN CC[C@H]1CC[C@@H](C)N1C(=O)NCc1ccco1 ZINC000095458659 345685774 /nfs/dbraw/zinc/68/57/74/345685774.db2.gz DAVSFYDXHIPHPF-MNOVXSKESA-N 0 0 236.315 2.752 50 0 BFAARN O=C(c1cccs1)N1CCCCCC1 ZINC000000292690 345826191 /nfs/dbraw/zinc/82/61/91/345826191.db2.gz UDZYNWWJENOUDZ-UHFFFAOYSA-N 0 0 209.314 2.764 50 0 BFAARN Cc1noc2ncnc(Oc3ccc(F)cc3)c12 ZINC000005724639 347087438 /nfs/dbraw/zinc/08/74/38/347087438.db2.gz UUWJGBNSNGRANM-UHFFFAOYSA-N 0 0 245.213 2.858 50 0 BFAARN CCCC(=O)N1CCC(c2nccs2)CC1 ZINC000040623305 168537102 /nfs/dbraw/zinc/53/71/02/168537102.db2.gz HNQFZVLRYHHTIY-UHFFFAOYSA-N 0 0 238.356 2.649 50 0 BFAARN CCCC[C@H](CC)CNC(=O)NC1CC1 ZINC000084742949 345925984 /nfs/dbraw/zinc/92/59/84/345925984.db2.gz CRIWDJLJTGILCI-JTQLQIEISA-N 0 0 212.337 2.664 50 0 BFAARN O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC1 ZINC000089800343 345956823 /nfs/dbraw/zinc/95/68/23/345956823.db2.gz BFPUNGFJNYMMQE-UHFFFAOYSA-N 0 0 240.306 2.503 50 0 BFAARN CCc1nnc(CN[C@H](C)c2cc(C)oc2C)o1 ZINC000183775111 345940401 /nfs/dbraw/zinc/94/04/01/345940401.db2.gz BFJRQYWQOFISMU-SECBINFHSA-N 0 0 249.314 2.693 50 0 BFAARN COc1ccc(NCc2c(C)noc2C)c(C)n1 ZINC000184901776 345944980 /nfs/dbraw/zinc/94/49/80/345944980.db2.gz CDMODNOJFPUJFL-UHFFFAOYSA-N 0 0 247.298 2.616 50 0 BFAARN CCc1nc(C)ccc1OCc1ccon1 ZINC000190774209 345984575 /nfs/dbraw/zinc/98/45/75/345984575.db2.gz LPHMHTGNEZXFHC-UHFFFAOYSA-N 0 0 218.256 2.519 50 0 BFAARN CC(F)(F)COc1ccc(N)cc1Cl ZINC000601014747 345995347 /nfs/dbraw/zinc/99/53/47/345995347.db2.gz AFSISFKHBCALOJ-UHFFFAOYSA-N 0 0 221.634 2.956 50 0 BFAARN Cc1ccccc1[S@@](=O)Cc1ccccn1 ZINC000191182235 345991609 /nfs/dbraw/zinc/99/16/09/345991609.db2.gz MOPCBDMVHJPKFR-INIZCTEOSA-N 0 0 231.320 2.698 50 0 BFAARN CC(=O)N(Cc1ccco1)c1ccc(F)cc1 ZINC000075632047 537930260 /nfs/dbraw/zinc/93/02/60/537930260.db2.gz AAOPUALTMVKQHU-UHFFFAOYSA-N 0 0 233.242 2.972 50 0 BFAARN Cc1ccc2c(c1)nnn2CNc1ccccc1 ZINC000003161208 178960314 /nfs/dbraw/zinc/96/03/14/178960314.db2.gz BDKVJDQHYRDZBJ-UHFFFAOYSA-N 0 0 238.294 2.809 50 0 BFAARN Cc1cscc1S(=O)(=O)c1ccccc1 ZINC000000984436 346171298 /nfs/dbraw/zinc/17/12/98/346171298.db2.gz ZJPFDTNXZIRABO-UHFFFAOYSA-N 0 0 238.333 2.889 50 0 BFAARN O/N=c1/cc(-c2ccccc2)ss1 ZINC000001021040 346172515 /nfs/dbraw/zinc/17/25/15/346172515.db2.gz VDRZWCZMAJAHGZ-KTKRTIGZSA-N 0 0 209.295 2.767 50 0 BFAARN Cn1c2ccccc2c2c1[C@@H](O)CCC2 ZINC000039188568 346198473 /nfs/dbraw/zinc/19/84/73/346198473.db2.gz SNUHWNXTPVXPAR-LBPRGKRZSA-N 0 0 201.269 2.548 50 0 BFAARN Cc1cccc(-n2cnc3cc(N)ccc32)c1 ZINC000001431382 179000717 /nfs/dbraw/zinc/00/07/17/179000717.db2.gz VFSVFGIODYZMOF-UHFFFAOYSA-N 0 0 223.279 2.916 50 0 in-vivo BFAARN Cc1cccc(-n2nnnc2-c2ccccc2)c1 ZINC000000406349 179001779 /nfs/dbraw/zinc/00/17/79/179001779.db2.gz YBMKHMAHAIUXMB-UHFFFAOYSA-N 0 0 236.278 2.638 50 0 BFAARN Cc1cccc(-c2nc(C=O)cs2)c1 ZINC000019723116 178995492 /nfs/dbraw/zinc/99/54/92/178995492.db2.gz FRSDKJVLVWGYEI-UHFFFAOYSA-N 0 0 203.266 2.931 50 0 BFAARN Cc1cccc(-c2noc(-c3ccno3)n2)c1 ZINC000000114290 178999165 /nfs/dbraw/zinc/99/91/65/178999165.db2.gz SNISZRDYRNNZNH-UHFFFAOYSA-N 0 0 227.223 2.700 50 0 BFAARN Cc1cccc(C(=O)N(C)Cc2ccccc2)n1 ZINC000032909040 179004939 /nfs/dbraw/zinc/00/49/39/179004939.db2.gz OPKFOSWKJWUSET-UHFFFAOYSA-N 0 0 240.306 2.662 50 0 BFAARN Cc1cccc(C(=O)N(C)c2ccccc2)n1 ZINC000032909104 179005634 /nfs/dbraw/zinc/00/56/34/179005634.db2.gz KULNEIRFAAUHIS-UHFFFAOYSA-N 0 0 226.279 2.667 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1ccccc1OC ZINC000005467685 346234546 /nfs/dbraw/zinc/23/45/46/346234546.db2.gz PEHHDRFSEAJZTO-SECBINFHSA-N 0 0 222.288 2.615 50 0 BFAARN Cc1cc(CN(C)C(=O)c2cccc(C)c2)on1 ZINC000064555642 179005878 /nfs/dbraw/zinc/00/58/78/179005878.db2.gz HTBZALHQNLWQSS-UHFFFAOYSA-N 0 0 244.294 2.564 50 0 BFAARN Cc1cccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)n1 ZINC000089688913 179010552 /nfs/dbraw/zinc/01/05/52/179010552.db2.gz TWQCUDIFGZLDPJ-OCCSQVGLSA-N 0 0 244.338 2.795 50 0 BFAARN Cc1n[nH]c(C)c1-c1nc2ccccc2[nH]1 ZINC000003114966 537958915 /nfs/dbraw/zinc/95/89/15/537958915.db2.gz WIGOMHMSLORBAG-UHFFFAOYSA-N 0 0 212.256 2.570 50 0 BFAARN Cc1cccc(C(=O)NC2CCCCCC2)n1 ZINC000024432189 179014182 /nfs/dbraw/zinc/01/41/82/179014182.db2.gz YRZSHMKVLBCBBZ-UHFFFAOYSA-N 0 0 232.327 2.843 50 0 BFAARN Cc1cccc(C(=O)N[C@H](C)c2cccs2)n1 ZINC000024909439 179023806 /nfs/dbraw/zinc/02/38/06/179023806.db2.gz CZVPWSXNWGXSMQ-SNVBAGLBSA-N 0 0 246.335 2.943 50 0 BFAARN Cc1noc(C)c1NC(=O)c1cccc(C)c1 ZINC000058332770 179025256 /nfs/dbraw/zinc/02/52/56/179025256.db2.gz OBUDBZCTEINDCA-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN CC[C@@H](C(=O)n1cccn1)c1ccccc1 ZINC000000474071 346271240 /nfs/dbraw/zinc/27/12/40/346271240.db2.gz GNVJCCFXOWCKFS-GFCCVEGCSA-N 0 0 214.268 2.717 50 0 BFAARN Cc1cccc(C(=O)c2ncco2)c1C ZINC000043210576 179026814 /nfs/dbraw/zinc/02/68/14/179026814.db2.gz INLZPBRDXWQXHT-UHFFFAOYSA-N 0 0 201.225 2.522 50 0 BFAARN Cc1cccc(C)c1-n1nnnc1SC(C)C ZINC000048397821 179028603 /nfs/dbraw/zinc/02/86/03/179028603.db2.gz UIDNKFNQTPEOQQ-UHFFFAOYSA-N 0 0 248.355 2.780 50 0 BFAARN Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C ZINC000000000456 179042569 /nfs/dbraw/zinc/04/25/69/179042569.db2.gz INWLQCZOYSRPNW-CYBMUJFWSA-N 0 0 246.354 2.726 50 0 fda BFAARN Cc1cccc(C)c1OCCCn1ccnc1 ZINC000002496986 179046787 /nfs/dbraw/zinc/04/67/87/179046787.db2.gz MCCVPDUWEAWMEY-UHFFFAOYSA-N 0 0 230.311 2.969 50 0 BFAARN O=C(c1ccccc1Cl)N1CCSCC1 ZINC000000140256 346401085 /nfs/dbraw/zinc/40/10/85/346401085.db2.gz PULVKSQKLLEGPA-UHFFFAOYSA-N 0 0 241.743 2.529 50 0 BFAARN CCOc1ncnc2sc3c(c21)CCCC3 ZINC000000156773 346401209 /nfs/dbraw/zinc/40/12/09/346401209.db2.gz WZUOYNVFYMFJPS-UHFFFAOYSA-N 0 0 234.324 2.969 50 0 BFAARN CC(Nc1ccccc1C)=C1CCOC1=O ZINC000000158953 346401325 /nfs/dbraw/zinc/40/13/25/346401325.db2.gz UURZHQCMQSIGTL-ZHACJKMWSA-N 0 0 217.268 2.628 50 0 BFAARN CCN(CC)Sc1nc2ccccc2[nH]1 ZINC000000236968 346402582 /nfs/dbraw/zinc/40/25/82/346402582.db2.gz JRKZUFDXDDASRT-UHFFFAOYSA-N 0 0 221.329 2.912 50 0 BFAARN Cc1sc2ncnc(N3CCCC3)c2c1C ZINC000000349915 346414411 /nfs/dbraw/zinc/41/44/11/346414411.db2.gz GTUTXHNWWQOPCQ-UHFFFAOYSA-N 0 0 233.340 2.908 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000000372608 346415179 /nfs/dbraw/zinc/41/51/79/346415179.db2.gz BUBOTXCWDHNELW-SECBINFHSA-N 0 0 219.284 2.874 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(C)cc2)no1 ZINC000000392095 346415874 /nfs/dbraw/zinc/41/58/74/346415874.db2.gz ZMJOYIIKIYPLTJ-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN CCSc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000000480044 346417183 /nfs/dbraw/zinc/41/71/83/346417183.db2.gz OHVDFNOOXVCYFH-UHFFFAOYSA-N 0 0 240.353 2.713 50 0 BFAARN Cc1cc(C)n(CNc2ccccc2)n1 ZINC000000409859 346418362 /nfs/dbraw/zinc/41/83/62/346418362.db2.gz KOZVYEGVSKJDLO-UHFFFAOYSA-N 0 0 201.273 2.570 50 0 BFAARN CCN(CC)C(=O)Nc1ccc2nccnc2c1 ZINC000001191920 346434156 /nfs/dbraw/zinc/43/41/56/346434156.db2.gz YAPKCWJNAAPXCU-UHFFFAOYSA-N 0 0 244.298 2.504 50 0 BFAARN Cc1cccc(CNC(=O)[C@H]2CC=CCC2)c1 ZINC000032760728 179088233 /nfs/dbraw/zinc/08/82/33/179088233.db2.gz MRVGKJFEOYBRST-AWEZNQCLSA-N 0 0 229.323 2.968 50 0 BFAARN Cc1cccc(I)c1F ZINC000049588109 179110827 /nfs/dbraw/zinc/11/08/27/179110827.db2.gz SDFQHVROPUQHCT-UHFFFAOYSA-N 0 0 236.027 2.739 50 0 BFAARN Cc1nn(CCC2CCCC2)c(C)c1CCO ZINC000187198156 346561018 /nfs/dbraw/zinc/56/10/18/346561018.db2.gz IBYIZYCZKZFEFD-UHFFFAOYSA-N 0 0 236.359 2.615 50 0 BFAARN CCCC(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000006699260 168560000 /nfs/dbraw/zinc/56/00/00/168560000.db2.gz NAOUTQZYGCMBBP-SNVBAGLBSA-N 0 0 221.300 2.673 50 0 BFAARN CC(C)(O)Cc1ccc(Cl)cc1F ZINC000163186181 346551682 /nfs/dbraw/zinc/55/16/82/346551682.db2.gz ORHWMHFVVNURKJ-UHFFFAOYSA-N 0 0 202.656 2.793 50 0 BFAARN Cc1cccc(N2C(=O)S[C@H](C)C2=O)c1 ZINC000005447419 179121084 /nfs/dbraw/zinc/12/10/84/179121084.db2.gz MDYMMJLUNZZXGB-MRVPVSSYSA-N 0 0 221.281 2.583 50 0 BFAARN CC(=O)[C@@H]1CCCC(=O)[C@@H]2CC[C@@H](C)[C@H]21 ZINC000004114362 346592693 /nfs/dbraw/zinc/59/26/93/346592693.db2.gz FVYBONJZCMSLFD-BQUSMCMVSA-N 0 0 208.301 2.607 50 0 BFAARN Cc1cccc(NC(=O)C(F)(F)F)c1C ZINC000000300986 179124684 /nfs/dbraw/zinc/12/46/84/179124684.db2.gz DDTLKRKSMLMEDX-UHFFFAOYSA-N 0 0 217.190 2.804 50 0 BFAARN Cc1ccc(NC(=S)N2CCCC2)cc1 ZINC000006487059 346650233 /nfs/dbraw/zinc/65/02/33/346650233.db2.gz KCSNYJBZSAYVIN-UHFFFAOYSA-N 0 0 220.341 2.788 50 0 BFAARN Cc1cccc(NC(=O)Cc2cccc(F)c2)n1 ZINC000012539168 179129956 /nfs/dbraw/zinc/12/99/56/179129956.db2.gz MBHVDFDHTJKHNE-UHFFFAOYSA-N 0 0 244.269 2.710 50 0 BFAARN Cc1cccc(NC(=O)N2CCCC2)c1C ZINC000006726896 179130267 /nfs/dbraw/zinc/13/02/67/179130267.db2.gz BOWVVUNPUMSTEN-UHFFFAOYSA-N 0 0 218.300 2.931 50 0 BFAARN Cc1cccc(NC(=O)N(C)CC(F)F)c1 ZINC000103502083 179131019 /nfs/dbraw/zinc/13/10/19/179131019.db2.gz AUISMERWZODYKL-UHFFFAOYSA-N 0 0 228.242 2.724 50 0 BFAARN Cc1cccc(NC(=O)[C@H]2CC=CCC2)n1 ZINC000012536827 179140150 /nfs/dbraw/zinc/14/01/50/179140150.db2.gz XHPOORJQANBYMO-NSHDSACASA-N 0 0 216.284 2.685 50 0 BFAARN Cc1ccc(Cn2nc(Cl)nc2Cl)cc1 ZINC000009142820 346714076 /nfs/dbraw/zinc/71/40/76/346714076.db2.gz SJPRTMKHCWMZLG-UHFFFAOYSA-N 0 0 242.109 2.942 50 0 BFAARN CC[C@@H](C)Sc1nc2ccccc2c(=O)[nH]1 ZINC000008673132 346679164 /nfs/dbraw/zinc/67/91/64/346679164.db2.gz QFLUMHHMRPVEDR-MRVPVSSYSA-N 0 0 234.324 2.814 50 0 BFAARN Cc1ncsc1CNc1cccc(C)n1 ZINC000070837180 179152002 /nfs/dbraw/zinc/15/20/02/179152002.db2.gz QXZFLEPOAGVAAF-UHFFFAOYSA-N 0 0 219.313 2.767 50 0 BFAARN COc1cc(-c2ccsc2C=O)ccn1 ZINC000725242506 537985871 /nfs/dbraw/zinc/98/58/71/537985871.db2.gz LRGNPXIOVSJLOD-UHFFFAOYSA-N 0 0 219.265 2.631 50 0 BFAARN Cc1ncn(CCOc2cccc(C)c2)c1C ZINC000106440584 179169277 /nfs/dbraw/zinc/16/92/77/179169277.db2.gz AQCURQOTICGGTQ-UHFFFAOYSA-N 0 0 230.311 2.887 50 0 BFAARN O=C(CCc1ccccc1)NCc1ccsc1 ZINC000013698114 362800075 /nfs/dbraw/zinc/80/00/75/362800075.db2.gz KMAIXMMHDBRTBQ-UHFFFAOYSA-N 0 0 245.347 2.997 50 0 BFAARN CCCC(=O)Nc1nc2c(s1)CCCC2 ZINC000004696290 168567869 /nfs/dbraw/zinc/56/78/69/168567869.db2.gz GMCZCIZVVBYJEC-UHFFFAOYSA-N 0 0 224.329 2.761 50 0 BFAARN Cc1cccc2c(Br)n[nH]c21 ZINC000014983548 179208592 /nfs/dbraw/zinc/20/85/92/179208592.db2.gz JKZPORZZFNBRAY-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN CC[C@@H](C)NC(=O)N1CCc2ccccc2C1 ZINC000013746226 362801591 /nfs/dbraw/zinc/80/15/91/362801591.db2.gz UMBNFGJDEDHZCD-LLVKDONJSA-N 0 0 232.327 2.553 50 0 BFAARN COC(=O)c1ccc(Cc2nccs2)cc1 ZINC000117793944 347359771 /nfs/dbraw/zinc/35/97/71/347359771.db2.gz UMPJEMFQDVAATE-UHFFFAOYSA-N 0 0 233.292 2.521 50 0 BFAARN Cc1cccc2c1C(=O)N(C)[C@@H](c1ccco1)N2 ZINC000069349533 179213274 /nfs/dbraw/zinc/21/32/74/179213274.db2.gz CJXLIGFCPGTOOI-ZDUSSCGKSA-N 0 0 242.278 2.784 50 0 BFAARN CC(C)(C)c1ccc(C2(C(N)=O)CC2)cc1 ZINC000020059058 347402215 /nfs/dbraw/zinc/40/22/15/347402215.db2.gz UGKUDGIQKDKIPI-UHFFFAOYSA-N 0 0 217.312 2.501 50 0 BFAARN Cc1cccc2c1c(-c1cncc(N)c1)nn2C ZINC000096140908 179225964 /nfs/dbraw/zinc/22/59/64/179225964.db2.gz REYWTBGLMXZMJE-UHFFFAOYSA-N 0 0 238.294 2.526 50 0 BFAARN Cc1ccccc1-c1nc(CN2CCCC2)no1 ZINC000089696896 179238575 /nfs/dbraw/zinc/23/85/75/179238575.db2.gz KOSIOUMRWCRHJM-UHFFFAOYSA-N 0 0 243.310 2.641 50 0 BFAARN Cc1cccc2sc(NC(=O)C3CC3)nc21 ZINC000000363625 179234339 /nfs/dbraw/zinc/23/43/39/179234339.db2.gz AIOKJYZOUZDXPH-UHFFFAOYSA-N 0 0 232.308 2.953 50 0 BFAARN Cc1ccccc1-n1cnc2ccccc2c1=O ZINC000000281742 179243033 /nfs/dbraw/zinc/24/30/33/179243033.db2.gz CBFJSWUGLMNPKR-UHFFFAOYSA-N 0 0 236.274 2.694 50 0 BFAARN Cc1ccccc1-n1nnn(C(F)F)c1=S ZINC000000117561 179243395 /nfs/dbraw/zinc/24/33/95/179243395.db2.gz DJFDUWPEEVUSID-UHFFFAOYSA-N 0 0 242.254 2.502 50 0 BFAARN Cc1ccc(CN(C)C(=O)c2cccc(F)c2)o1 ZINC000012919936 347475130 /nfs/dbraw/zinc/47/51/30/347475130.db2.gz AIFBLDRYTNXMJI-UHFFFAOYSA-N 0 0 247.269 2.999 50 0 BFAARN Cc1ccccc1C(=O)N[C@@H](C)c1ccncc1 ZINC000006698910 179251696 /nfs/dbraw/zinc/25/16/96/179251696.db2.gz XAJCLTMJHGCWNA-LBPRGKRZSA-N 0 0 240.306 2.881 50 0 BFAARN Cc1ccccc1C(=O)Nc1cccnc1 ZINC000000395834 179252879 /nfs/dbraw/zinc/25/28/79/179252879.db2.gz OSYNRTXNFJOPPK-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN CCCC(CCC)[S@](=O)C[C@H]1CCCO1 ZINC000194541279 347549062 /nfs/dbraw/zinc/54/90/62/347549062.db2.gz PQAMABRRCXTOEJ-IAQYHMDHSA-N 0 0 232.389 2.883 50 0 BFAARN Cc1ocnc1C(=O)O[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000195566673 347647396 /nfs/dbraw/zinc/64/73/96/347647396.db2.gz BAIDLEJPJNDPQY-ATZCPNFKSA-N 0 0 237.299 2.965 50 0 BFAARN Cc1nnc(CSCCC(C)(C)C)n1C ZINC000195573116 347647730 /nfs/dbraw/zinc/64/77/30/347647730.db2.gz AUJZTQBMXSRTLK-UHFFFAOYSA-N 0 0 227.377 2.793 50 0 BFAARN CC(C)(C)CCSCC(=O)N1CCCC1 ZINC000195573126 347647957 /nfs/dbraw/zinc/64/79/57/347647957.db2.gz UUCKFKJVOUIHIH-UHFFFAOYSA-N 0 0 229.389 2.778 50 0 BFAARN Cc1cncc(NC(=O)Nc2ccc(O)cc2)c1 ZINC000195575683 347648356 /nfs/dbraw/zinc/64/83/56/347648356.db2.gz ZYYXHOHYGFKNEC-UHFFFAOYSA-N 0 0 243.266 2.740 50 0 BFAARN Clc1cccc(Nc2ncnc3nc[nH]c32)c1 ZINC000004106423 347652023 /nfs/dbraw/zinc/65/20/23/347652023.db2.gz COGLJXZAQUPABI-UHFFFAOYSA-N 0 0 245.673 2.750 50 0 BFAARN Cc1ccccc1CS(=O)(=O)c1ccccc1 ZINC000000409335 179287561 /nfs/dbraw/zinc/28/75/61/179287561.db2.gz PWECXBSVNSKIIN-UHFFFAOYSA-N 0 0 246.331 2.969 50 0 BFAARN Cc1nc(N)sc1Cc1ccccc1C ZINC000035250898 179293775 /nfs/dbraw/zinc/29/37/75/179293775.db2.gz FYWUMXUTQKGQTR-UHFFFAOYSA-N 0 0 218.325 2.933 50 0 BFAARN CC(=O)Oc1ccc(C)c(Br)c1 ZINC000200491384 347816657 /nfs/dbraw/zinc/81/66/57/347816657.db2.gz JMBXIGVVBQDOBU-UHFFFAOYSA-N 0 0 229.073 2.683 50 0 BFAARN Cc1ccccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000101209827 179296144 /nfs/dbraw/zinc/29/61/44/179296144.db2.gz BKCOXCQCSDGIOZ-RYUDHWBXSA-N 0 0 243.306 2.675 50 0 BFAARN Cc1ccccc1NC(=O)c1ccccc1O ZINC000000247391 179302804 /nfs/dbraw/zinc/30/28/04/179302804.db2.gz CPURJBKOYYYKJL-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN Cc1ccccc1NC(=O)CCOCC(C)C ZINC000040523662 179297511 /nfs/dbraw/zinc/29/75/11/179297511.db2.gz UUOYEJFLESELPV-UHFFFAOYSA-N 0 0 235.327 2.996 50 0 BFAARN Cc1ccccc1OCC(=O)NC1CCCCC1 ZINC000000130062 179309642 /nfs/dbraw/zinc/30/96/42/179309642.db2.gz FIASLTIJWIWMTC-UHFFFAOYSA-N 0 0 247.338 2.823 50 0 BFAARN Cc1ccccc1OCCCn1ccnc1 ZINC000002493427 179310860 /nfs/dbraw/zinc/31/08/60/179310860.db2.gz YBLWYKUEVIWTFV-UHFFFAOYSA-N 0 0 216.284 2.661 50 0 BFAARN Cc1ccccc1O[C@@H](C)C(=O)NC(C)(C)C ZINC000033359531 179312670 /nfs/dbraw/zinc/31/26/70/179312670.db2.gz MVWQRDNQGCYDLY-NSHDSACASA-N 0 0 235.327 2.677 50 0 BFAARN Cc1ccccc1O[C@H](C)C(=O)NCCC(C)C ZINC000002069584 179313042 /nfs/dbraw/zinc/31/30/42/179313042.db2.gz YDWUFIRGFORKAL-CYBMUJFWSA-N 0 0 249.354 2.925 50 0 BFAARN Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)[O-])C1 ZINC000237580785 179330062 /nfs/dbraw/zinc/33/00/62/179330062.db2.gz PPCNVSVVZCRYBX-CHWSQXEVSA-N 0 0 247.338 2.648 50 0 BFAARN Cc1cccnc1C(=O)c1ccc(F)c(F)c1 ZINC000045028692 179366679 /nfs/dbraw/zinc/36/66/79/179366679.db2.gz CTPCBPFEIIUEJP-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CC(C)(C)NC(=O)CSc1ccccc1 ZINC000000380068 348248455 /nfs/dbraw/zinc/24/84/55/348248455.db2.gz YKZFQAFFVJKQDA-UHFFFAOYSA-N 0 0 223.341 2.693 50 0 BFAARN Cc1cccnc1CNc1cccc(F)n1 ZINC000069771087 179384530 /nfs/dbraw/zinc/38/45/30/179384530.db2.gz TXJOPJZYSADDKJ-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN CC[C@@]1(C(=O)OC)O[C@@]1(C)C1CCCCC1 ZINC000669382220 538000867 /nfs/dbraw/zinc/00/08/67/538000867.db2.gz BSXVWPOBRGBAOH-STQMWFEESA-N 0 0 226.316 2.677 50 0 BFAARN Cc1cccnc1NC(=O)C[C@@H]1C=CCC1 ZINC000012528158 179391205 /nfs/dbraw/zinc/39/12/05/179391205.db2.gz PKCLXLVMOOWQFM-LLVKDONJSA-N 0 0 216.284 2.685 50 0 BFAARN Cc1cccnc1NC(=O)c1cc(F)cc(F)c1 ZINC000021893431 179393722 /nfs/dbraw/zinc/39/37/22/179393722.db2.gz OWXOWHVABKSCQQ-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN Cc1ccnc(N[C@@H]2OC(=O)c3ccccc32)c1 ZINC000000100262 179457586 /nfs/dbraw/zinc/45/75/86/179457586.db2.gz NECOFFILDCZYNE-CYBMUJFWSA-N 0 0 240.262 2.671 50 0 BFAARN Cc1ccsc1CN(C)C(=O)NCC1CC1 ZINC000043635424 179541402 /nfs/dbraw/zinc/54/14/02/179541402.db2.gz KCUOOPGLXJQRRG-UHFFFAOYSA-N 0 0 238.356 2.608 50 0 BFAARN COCc1nc2ccccc2n1C(C)C ZINC000000617565 349026531 /nfs/dbraw/zinc/02/65/31/349026531.db2.gz YJVPXMRHOMDBQA-UHFFFAOYSA-N 0 0 204.273 2.764 50 0 BFAARN Cc1ccc(C(=O)c2ccccn2)c(C)c1 ZINC000000330081 190969434 /nfs/dbraw/zinc/96/94/34/190969434.db2.gz FYJSQABUSNKSOC-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN O=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000299805563 538030612 /nfs/dbraw/zinc/03/06/12/538030612.db2.gz VARHAIHELAQXFC-CQSZACIVSA-N 0 0 215.296 2.555 50 0 BFAARN Cc1nn(-c2ccccc2)c(Cl)c1C=NO ZINC000254833291 349342879 /nfs/dbraw/zinc/34/28/79/349342879.db2.gz FXCSSKUVKXTGJN-UHFFFAOYSA-N 0 0 235.674 2.642 50 0 BFAARN COC(=O)c1ccc(-c2c(C)noc2C)cc1 ZINC000145960003 349344106 /nfs/dbraw/zinc/34/41/06/349344106.db2.gz ZAGGETAPXZVNRL-UHFFFAOYSA-N 0 0 231.251 2.745 50 0 BFAARN Cc1nc(C(=O)Nc2ccc(F)cc2F)co1 ZINC000022538163 179891363 /nfs/dbraw/zinc/89/13/63/179891363.db2.gz JQXWUXNDDFZUHZ-UHFFFAOYSA-N 0 0 238.193 2.514 50 0 BFAARN Cc1nc(-c2sc3ncnn3c2C)cs1 ZINC000001401913 179872596 /nfs/dbraw/zinc/87/25/96/179872596.db2.gz UXAGUPYVOACRCA-UHFFFAOYSA-N 0 0 236.325 2.531 50 0 BFAARN CCc1cc(O)ccc1Br ZINC000034426898 190985410 /nfs/dbraw/zinc/98/54/10/190985410.db2.gz CAMRWHABCOLYHJ-UHFFFAOYSA-N 0 0 201.063 2.717 50 0 BFAARN S=c1nc2[nH]cc(Br)cc-2s1 ZINC000038537856 190993585 /nfs/dbraw/zinc/99/35/85/190993585.db2.gz BPZQUJMYTNAMLT-UHFFFAOYSA-N 0 0 247.142 2.743 50 0 BFAARN CC(C)=CC(=O)Nc1ccc2c(c1)CCN2 ZINC000063187947 191001353 /nfs/dbraw/zinc/00/13/53/191001353.db2.gz WCPMNVSZBPRTRG-UHFFFAOYSA-N 0 0 216.284 2.559 50 0 BFAARN CC(C)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000065517348 191001721 /nfs/dbraw/zinc/00/17/21/191001721.db2.gz GEJPUWMVADTQHG-ZDUSSCGKSA-N 0 0 223.291 2.607 50 0 BFAARN Brc1nc(-c2ccccn2)cs1 ZINC000065731444 191001804 /nfs/dbraw/zinc/00/18/04/191001804.db2.gz VRJPUEYEMIISBG-UHFFFAOYSA-N 0 0 241.113 2.968 50 0 BFAARN Cc1nc(CN2CCc3ccccc32)oc1C ZINC000040556362 179959735 /nfs/dbraw/zinc/95/97/35/179959735.db2.gz CXXOAYIFAQQLTM-UHFFFAOYSA-N 0 0 228.295 2.854 50 0 BFAARN Cc1nc(CSc2ccc(F)cc2)no1 ZINC000057691234 179981661 /nfs/dbraw/zinc/98/16/61/179981661.db2.gz YMJGRPWFRJAYLZ-UHFFFAOYSA-N 0 0 224.260 2.809 50 0 BFAARN Cc1cc2c(nc(C)nc2N2CCCC2)s1 ZINC000002927767 180001375 /nfs/dbraw/zinc/00/13/75/180001375.db2.gz LJIYCGZUALVLBX-UHFFFAOYSA-N 0 0 233.340 2.908 50 0 BFAARN Cc1nc(NC(=O)C(C)C)ccc1Cl ZINC000010119492 180004611 /nfs/dbraw/zinc/00/46/11/180004611.db2.gz ZENCVTRYNUUSGP-UHFFFAOYSA-N 0 0 212.680 2.638 50 0 BFAARN Cc1nc(NC(=O)c2ccco2)sc1C ZINC000000461618 180014363 /nfs/dbraw/zinc/01/43/63/180014363.db2.gz YXSPYOXCRLTTIW-UHFFFAOYSA-N 0 0 222.269 2.605 50 0 BFAARN Cc1nc2c(s1)c(-c1ccccc1)n[nH]c2=O ZINC000011919842 180066721 /nfs/dbraw/zinc/06/67/21/180066721.db2.gz HQXKZACFHBMHSG-UHFFFAOYSA-N 0 0 243.291 2.767 50 0 BFAARN C[C@H](NO)c1cccc(C(F)(F)F)c1 ZINC000131985043 191020080 /nfs/dbraw/zinc/02/00/80/191020080.db2.gz DEMLQIXIOMGTBA-LURJTMIESA-N 0 0 205.179 2.745 50 0 BFAARN COCc1cccc(C(=O)NC2CCCC2)c1 ZINC000008076292 350123468 /nfs/dbraw/zinc/12/34/68/350123468.db2.gz YSEKWMAQHJAMPD-UHFFFAOYSA-N 0 0 233.311 2.505 50 0 BFAARN Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000012523641 180077576 /nfs/dbraw/zinc/07/75/76/180077576.db2.gz QIOYCRVQIQHGRR-UHFFFAOYSA-N 0 0 214.190 2.901 50 0 BFAARN Cc1nc2cc(F)cc(Br)c2n1C ZINC000217049550 180079716 /nfs/dbraw/zinc/07/97/16/180079716.db2.gz QHGFZYKKEKWZGQ-UHFFFAOYSA-N 0 0 243.079 2.783 50 0 BFAARN Cc1nc2cc(F)ccc2cc1C(=O)NC(C)C ZINC000012865242 180080238 /nfs/dbraw/zinc/08/02/38/180080238.db2.gz RCFRYXQNHCZXLS-UHFFFAOYSA-N 0 0 246.285 2.821 50 0 BFAARN Cc1nc2cc(NC(=S)NC3CC3)ccc2o1 ZINC000008083718 180080744 /nfs/dbraw/zinc/08/07/44/180080744.db2.gz NLQYJECGFHBZAP-UHFFFAOYSA-N 0 0 247.323 2.585 50 0 BFAARN Cc1nc2c(c(Nc3ccccc3O)n1)CCC2 ZINC000011907780 180069258 /nfs/dbraw/zinc/06/92/58/180069258.db2.gz YJYQRQCOLVPWIA-UHFFFAOYSA-N 0 0 241.294 2.723 50 0 BFAARN Cc1nc2ccccc2n1C(=O)c1ccco1 ZINC000000292238 180101423 /nfs/dbraw/zinc/10/14/23/180101423.db2.gz ZEQJLERROYRVNG-UHFFFAOYSA-N 0 0 226.235 2.626 50 0 BFAARN Cc1nc2ccccc2nc1CS[C@H](C)CO ZINC000172981619 180103138 /nfs/dbraw/zinc/10/31/38/180103138.db2.gz CIVUSEQGGPVEQV-SECBINFHSA-N 0 0 248.351 2.552 50 0 BFAARN CC(C)Cc1csc(-c2cnccn2)n1 ZINC000098018927 191061293 /nfs/dbraw/zinc/06/12/93/191061293.db2.gz UXTCRPDXGAFAGG-UHFFFAOYSA-N 0 0 219.313 2.799 50 0 BFAARN Nc1cccnc1-c1c(F)cccc1F ZINC000098095524 191061529 /nfs/dbraw/zinc/06/15/29/191061529.db2.gz MKXMMSMICMBQGT-UHFFFAOYSA-N 0 0 206.195 2.609 50 0 BFAARN Nc1ccc2[nH]c(-c3ccc(O)cc3)nc2c1 ZINC000100001779 191061643 /nfs/dbraw/zinc/06/16/43/191061643.db2.gz KVQRXHJWOANHCL-UHFFFAOYSA-N 0 0 225.251 2.518 50 0 BFAARN C(=C/c1ccccc1)\c1nc([C@H]2CCOC2)no1 ZINC000098019207 191061667 /nfs/dbraw/zinc/06/16/67/191061667.db2.gz YJMHLHZCCOGPPI-SYTKJHMZSA-N 0 0 242.278 2.744 50 0 BFAARN Cc1ncc(OC(F)F)cc1Br ZINC000263623847 180170402 /nfs/dbraw/zinc/17/04/02/180170402.db2.gz LFCYOFPMFBJIMY-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN Cc1ncc(NC(=O)c2ccoc2)c(C2CC2)n1 ZINC000252489506 180170892 /nfs/dbraw/zinc/17/08/92/180170892.db2.gz JSCDZSOUTBQXIL-UHFFFAOYSA-N 0 0 243.266 2.508 50 0 BFAARN Cc1cc(C(=O)N[C@H](C)C2CC2)c(C)s1 ZINC000032748167 350207833 /nfs/dbraw/zinc/20/78/33/350207833.db2.gz MDGJKILQSKUKMZ-MRVPVSSYSA-N 0 0 223.341 2.893 50 0 BFAARN Cc1nccc(Sc2ccccc2)n1 ZINC000000331349 180207038 /nfs/dbraw/zinc/20/70/38/180207038.db2.gz YIJQMPYWEQXUOL-UHFFFAOYSA-N 0 0 202.282 2.936 50 0 BFAARN Cc1ncccc1NC(=O)Cc1ccc(F)cc1 ZINC000073347584 180224927 /nfs/dbraw/zinc/22/49/27/180224927.db2.gz APPHQWGDTWLUTO-UHFFFAOYSA-N 0 0 244.269 2.710 50 0 BFAARN Cc1ncccc1NC(=O)c1ccc(Cl)nc1 ZINC000074239223 180227047 /nfs/dbraw/zinc/22/70/47/180227047.db2.gz VEVGNVUAAIRJCE-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1nccn1CCOc1ccccc1Cl ZINC000000845775 180261111 /nfs/dbraw/zinc/26/11/11/180261111.db2.gz BUVZXFVFBAWNPN-UHFFFAOYSA-N 0 0 236.702 2.924 50 0 BFAARN CC(C)Cn1nccc1NC(=O)[C@@H]1CC=CCC1 ZINC000040489391 350367666 /nfs/dbraw/zinc/36/76/66/350367666.db2.gz NBDVUBOZAQFIED-GFCCVEGCSA-N 0 0 247.342 2.834 50 0 BFAARN COC(=O)c1ccoc1CSc1ccccn1 ZINC000040487884 350369306 /nfs/dbraw/zinc/36/93/06/350369306.db2.gz VXFRUFFXLCXGKM-UHFFFAOYSA-N 0 0 249.291 2.754 50 0 BFAARN CCC/C=C/c1ccc(C(=O)N2CCOCC2)o1 ZINC000426538698 191097253 /nfs/dbraw/zinc/09/72/53/191097253.db2.gz YJOMRNDFEGSIBC-SNAWJCMRSA-N 0 0 249.310 2.565 50 0 BFAARN Cc1ncsc1C(=O)N1CCc2ccccc21 ZINC000040529081 180304017 /nfs/dbraw/zinc/30/40/17/180304017.db2.gz KGJHZJVMUXLZPR-UHFFFAOYSA-N 0 0 244.319 2.654 50 0 BFAARN CCCCC(=O)Nc1ccccc1C(=O)OCC ZINC000002057668 168627784 /nfs/dbraw/zinc/62/77/84/168627784.db2.gz HUTZNUSTCSROCO-UHFFFAOYSA-N 0 0 249.310 2.992 50 0 BFAARN Cc1nn(-c2ccc(Cl)cc2)c(N)c1C ZINC000045628342 180329006 /nfs/dbraw/zinc/32/90/06/180329006.db2.gz MYQDVQRVMNQDBF-UHFFFAOYSA-N 0 0 221.691 2.725 50 0 BFAARN Cc1nn(C(=O)OC(C)(C)C)cc1Cl ZINC000261493935 180331708 /nfs/dbraw/zinc/33/17/08/180331708.db2.gz MDRBUGJYWUIBGP-UHFFFAOYSA-N 0 0 216.668 2.628 50 0 BFAARN Cc1nn(C(C)(C)C)c(C)c1C(=O)C(F)(F)F ZINC000068593763 180332855 /nfs/dbraw/zinc/33/28/55/180332855.db2.gz IJRGGQPBKIMHOE-UHFFFAOYSA-N 0 0 248.248 3.000 50 0 BFAARN CCCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000032819484 350431983 /nfs/dbraw/zinc/43/19/83/350431983.db2.gz BYTNUEPPTXRSTN-VXGBXAGGSA-N 0 0 209.333 2.968 50 0 BFAARN CCCCCCOC(=O)[C@H](N)Cc1ccccc1 ZINC000033817833 350460269 /nfs/dbraw/zinc/46/02/69/350460269.db2.gz BTJNEJYKDORDPM-CQSZACIVSA-N 0 0 249.354 2.680 50 0 BFAARN CC(C)C(=O)N1c2ccccc2C[C@H]1C ZINC000032975270 350442881 /nfs/dbraw/zinc/44/28/81/350442881.db2.gz JHTPNWMXKSQEDQ-SNVBAGLBSA-N 0 0 203.285 2.620 50 0 BFAARN Cc1nn2c(nccc2-c2ccncc2)c1Cl ZINC000001384294 180393284 /nfs/dbraw/zinc/39/32/84/180393284.db2.gz MGFRVIJNOGZBRU-UHFFFAOYSA-N 0 0 244.685 2.753 50 0 BFAARN Cc1nnc(-c2cccc(Br)c2)o1 ZINC000016124164 180396260 /nfs/dbraw/zinc/39/62/60/180396260.db2.gz KFORTEWAPHTQIB-UHFFFAOYSA-N 0 0 239.072 2.808 50 0 BFAARN Cc1nn2c(nc(Cl)c3ccccc32)c1C=O ZINC000003163860 180394890 /nfs/dbraw/zinc/39/48/90/180394890.db2.gz ZTCPLVYSQIYSFR-UHFFFAOYSA-N 0 0 245.669 2.657 50 0 BFAARN Nc1cc(Cc2ccc(Cl)cc2)no1 ZINC000041218142 350580637 /nfs/dbraw/zinc/58/06/37/350580637.db2.gz GCVOOZZNUVTMDA-UHFFFAOYSA-N 0 0 208.648 2.501 50 0 BFAARN CCC[C@H]1CN(c2ccccc2)CCC1=O ZINC000231157274 350614292 /nfs/dbraw/zinc/61/42/92/350614292.db2.gz AIAZZXROARFTME-LBPRGKRZSA-N 0 0 217.312 2.882 50 0 BFAARN CCCCCC(=O)OCCCSC ZINC000044029962 168643086 /nfs/dbraw/zinc/64/30/86/168643086.db2.gz NZDCNAMVIRTJPL-UHFFFAOYSA-N 0 0 204.335 2.863 50 0 BFAARN CC(C)(C)C(=O)c1cc(F)cc(F)c1O ZINC000052068573 350901759 /nfs/dbraw/zinc/90/17/59/350901759.db2.gz BZBGSBLIBCMWRG-UHFFFAOYSA-N 0 0 214.211 2.899 50 0 BFAARN COc1ccc(/C=C(\SC)[S@@](C)=O)cc1 ZINC000210999562 350930525 /nfs/dbraw/zinc/93/05/25/350930525.db2.gz YFURDRITMJHYBS-KUCQQTCKSA-N 0 0 242.365 2.735 50 0 BFAARN CCc1nc(CN(CC)[C@@H](C)COC)cs1 ZINC000052219701 350969258 /nfs/dbraw/zinc/96/92/58/350969258.db2.gz QKHPEROYBHPKAU-JTQLQIEISA-N 0 0 242.388 2.562 50 0 BFAARN Cc1occc1SCc1cnn(C)c1C ZINC000131569760 180544052 /nfs/dbraw/zinc/54/40/52/180544052.db2.gz JQOPXAQSJYECDP-UHFFFAOYSA-N 0 0 222.313 2.922 50 0 BFAARN Cc1sc(NC(N)=O)nc1Cc1ccccc1 ZINC000095404001 180558157 /nfs/dbraw/zinc/55/81/57/180558157.db2.gz DNOOFUGUMXLERX-UHFFFAOYSA-N 0 0 247.323 2.533 50 0 BFAARN Cc1sc2[nH]c(-c3ccc[nH]3)nc(=O)c2c1C ZINC000134471470 180559015 /nfs/dbraw/zinc/55/90/15/180559015.db2.gz OXLRGAIWJNSBDS-UHFFFAOYSA-N 0 0 245.307 2.597 50 0 BFAARN Clc1cc(Br)c2nccn2c1 ZINC000015021379 180574891 /nfs/dbraw/zinc/57/48/91/180574891.db2.gz LMPPBTNPACXNDI-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN Clc1ncnc2oc(-c3ccccc3)nc21 ZINC000001723121 351223063 /nfs/dbraw/zinc/22/30/63/351223063.db2.gz WGFDYVQGOQQPSJ-UHFFFAOYSA-N 0 0 231.642 2.938 50 0 BFAARN CC[C@@H](C)N(C(=O)[C@@H]1CCCO1)[C@H](C)CC ZINC000005980726 351358244 /nfs/dbraw/zinc/35/82/44/351358244.db2.gz NUNUDSKUPNYYGR-UTUOFQBUSA-N 0 0 227.348 2.591 50 0 BFAARN C[C@@H](Cc1cccs1)NC(=O)c1ccccn1 ZINC000038565722 363046424 /nfs/dbraw/zinc/04/64/24/363046424.db2.gz POJGQEABNBTKRD-JTQLQIEISA-N 0 0 246.335 2.504 50 0 BFAARN Cn1c(Cl)cnc1CN1CCc2ccccc21 ZINC000048417255 180620277 /nfs/dbraw/zinc/62/02/77/180620277.db2.gz MMJNUCSIFPQKCB-UHFFFAOYSA-N 0 0 247.729 2.636 50 0 BFAARN O=C1CCC[C@H]1SC(=S)N1CCCCC1 ZINC000000401304 351796838 /nfs/dbraw/zinc/79/68/38/351796838.db2.gz WECNIUXOOQPAMG-SNVBAGLBSA-N 0 0 243.397 2.612 50 0 BFAARN CCCn1nccc1NC(=O)[C@H]1CC=CCC1 ZINC000031770746 351816352 /nfs/dbraw/zinc/81/63/52/351816352.db2.gz YAAKWRRNXVQBLB-NSHDSACASA-N 0 0 233.315 2.588 50 0 BFAARN CC1(C)Cn2c(nnc2-c2cccc(O)c2)S1 ZINC000000340584 187583325 /nfs/dbraw/zinc/58/33/25/187583325.db2.gz ZYFUBACAUREHDG-UHFFFAOYSA-N 0 0 247.323 2.535 50 0 BFAARN CCOC(=O)C1=C(O)CC[C@@H](C(C)(C)C)C1 ZINC000039416296 187600742 /nfs/dbraw/zinc/60/07/42/187600742.db2.gz JHTDFSYUZRZZBQ-NXEZZACHSA-N 0 0 226.316 2.581 50 0 BFAARN CC(C)CSc1nncn1Cc1ccco1 ZINC000040480322 187601516 /nfs/dbraw/zinc/60/15/16/187601516.db2.gz LKUQWAOHGLPQRF-UHFFFAOYSA-N 0 0 237.328 2.668 50 0 BFAARN CC(C)COc1ccc(Br)cn1 ZINC000042389267 187603427 /nfs/dbraw/zinc/60/34/27/187603427.db2.gz PEGNKNXWZBYWOA-UHFFFAOYSA-N 0 0 230.105 2.879 50 0 BFAARN CCN(c1ncccc1N)C1CCCCC1 ZINC000022219422 187591820 /nfs/dbraw/zinc/59/18/20/187591820.db2.gz PBJWXQXXAGFSOS-UHFFFAOYSA-N 0 0 219.332 2.823 50 0 BFAARN CC(C)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000022242079 187592103 /nfs/dbraw/zinc/59/21/03/187592103.db2.gz BAGQRSWIZIKLDN-GWCFXTLKSA-N 0 0 249.379 2.864 50 0 BFAARN CC(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000089930371 187626881 /nfs/dbraw/zinc/62/68/81/187626881.db2.gz XVBGBDBIILMYBI-UHFFFAOYSA-N 0 0 221.300 2.961 50 0 BFAARN O=C1Oc2ccccc2[C@@H]1c1ccccc1 ZINC000002042129 187642857 /nfs/dbraw/zinc/64/28/57/187642857.db2.gz NANGQJICIOUURV-ZDUSSCGKSA-N 0 0 210.232 2.738 50 0 BFAARN CN(CC(=O)NC1CCCCC1)c1ccccc1 ZINC000007589684 363154416 /nfs/dbraw/zinc/15/44/16/363154416.db2.gz OXWMSUOETCPFPR-UHFFFAOYSA-N 0 0 246.354 2.572 50 0 BFAARN C[C@@H]1CC=C(c2ccccc2)C(=S)N1 ZINC000013686471 187651075 /nfs/dbraw/zinc/65/10/75/187651075.db2.gz UJEYHIWKFIXAEE-SECBINFHSA-N 0 0 203.310 2.779 50 0 BFAARN C1=C(Cc2noc(CC3CCOCC3)n2)CCC1 ZINC000242346864 187676949 /nfs/dbraw/zinc/67/69/49/187676949.db2.gz ZJUCQXBCCRWCHK-UHFFFAOYSA-N 0 0 248.326 2.692 50 0 BFAARN C[C@@H](Cc1ccco1)NC(=O)CC1CCCC1 ZINC000044443805 352326020 /nfs/dbraw/zinc/32/60/20/352326020.db2.gz JHMFEHNMZXEZEN-NSHDSACASA-N 0 0 235.327 2.907 50 0 BFAARN O=C(Nc1ccsc1)c1cncc(F)c1 ZINC000334554757 352349045 /nfs/dbraw/zinc/34/90/45/352349045.db2.gz ULNQCKBOCAEJNK-UHFFFAOYSA-N 0 0 222.244 2.535 50 0 BFAARN CCOc1ccccc1CCC(=O)NCC(C)C ZINC000044869093 352468529 /nfs/dbraw/zinc/46/85/29/352468529.db2.gz RJVQGWUARSUXLT-UHFFFAOYSA-N 0 0 249.354 2.790 50 0 BFAARN CCSc1nnc(Cc2csc(C)n2)o1 ZINC000044865620 352469436 /nfs/dbraw/zinc/46/94/36/352469436.db2.gz ZNMCZAPUBQMGGY-UHFFFAOYSA-N 0 0 241.341 2.537 50 0 BFAARN Cn1c2ccc(Cl)cc2nc1NC(=O)C1CC1 ZINC000049497084 352626973 /nfs/dbraw/zinc/62/69/73/352626973.db2.gz URRISHGGZKYWTC-UHFFFAOYSA-N 0 0 249.701 2.575 50 0 BFAARN CC(=O)NCc1c(Cl)cccc1-n1cccc1 ZINC000004054872 352633666 /nfs/dbraw/zinc/63/36/66/352633666.db2.gz DNJQZFVRHFZBNW-UHFFFAOYSA-N 0 0 248.713 2.767 50 0 BFAARN Cn1nc2cc(Br)ccc2c1Cl ZINC000095709705 180810330 /nfs/dbraw/zinc/81/03/30/180810330.db2.gz GTEXMOAFZRRHAA-UHFFFAOYSA-N 0 0 245.507 2.989 50 0 BFAARN Cc1cccc(NC(=O)c2cccnc2Cl)n1 ZINC000005936126 187930134 /nfs/dbraw/zinc/93/01/34/187930134.db2.gz FMMTWWPEIGAUTE-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000000174852 187924470 /nfs/dbraw/zinc/92/44/70/187924470.db2.gz FWBAMNNPZLPNPV-UHFFFAOYSA-N 0 0 206.270 2.563 50 0 BFAARN CC(=O)Nc1cccc(Cl)c1Cl ZINC000000361858 187924550 /nfs/dbraw/zinc/92/45/50/187924550.db2.gz URQALMDQINOOPO-UHFFFAOYSA-N 0 0 204.056 2.952 50 0 BFAARN CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000000398872 187925348 /nfs/dbraw/zinc/92/53/48/187925348.db2.gz PYGNVSDRIIPHQP-UHFFFAOYSA-N 0 0 237.258 2.856 50 0 BFAARN CCn1ccc(C(=O)Nc2cccc(C)c2C)n1 ZINC000000467984 187925492 /nfs/dbraw/zinc/92/54/92/187925492.db2.gz NKNAHTZPNQECQY-UHFFFAOYSA-N 0 0 243.310 2.772 50 0 BFAARN Cn1ncc2nc3c(c(Cl)c21)CCCC3 ZINC000012394906 180828744 /nfs/dbraw/zinc/82/87/44/180828744.db2.gz PMJBQCGDFFVJFS-UHFFFAOYSA-N 0 0 221.691 2.501 50 0 BFAARN CCN(C)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000084760745 187971817 /nfs/dbraw/zinc/97/18/17/187971817.db2.gz MNQRQTXUELGVOF-JTQLQIEISA-N 0 0 240.372 2.588 50 0 BFAARN CC(=O)NCC1(Cc2ccccc2)CCC1 ZINC000095411389 187974212 /nfs/dbraw/zinc/97/42/12/187974212.db2.gz JHYIVJQVLRUWRM-UHFFFAOYSA-N 0 0 217.312 2.536 50 0 BFAARN c1cc2ccc(N3C[C@@H]4CC=CC[C@@H]4C3)nc2[nH]1 ZINC000072163257 187961036 /nfs/dbraw/zinc/96/10/36/187961036.db2.gz XEQPBXHIMZBRBF-BETUJISGSA-N 0 0 239.322 2.965 50 0 BFAARN CC(=O)NC1(c2cccc3ccccc32)CC1 ZINC000041531649 187978145 /nfs/dbraw/zinc/97/81/45/187978145.db2.gz VFFLWKCFKRSULL-UHFFFAOYSA-N 0 0 225.291 2.965 50 0 BFAARN Cc1ccc(NC(=O)[C@H](C)n2cccn2)cc1C ZINC000012921478 188006577 /nfs/dbraw/zinc/00/65/77/188006577.db2.gz KCCWDTXZJPAEBH-LBPRGKRZSA-N 0 0 243.310 2.700 50 0 BFAARN CC(C)Cn1nccc1NC1CCSCC1 ZINC000095992234 188016180 /nfs/dbraw/zinc/01/61/80/188016180.db2.gz WYMSNPHFHBGSEY-UHFFFAOYSA-N 0 0 239.388 2.847 50 0 BFAARN CC(C)CN(C(=O)Cc1cccc(N)c1)C(C)C ZINC000052923047 353133725 /nfs/dbraw/zinc/13/37/25/353133725.db2.gz UPXCCIFMOBRHOQ-UHFFFAOYSA-N 0 0 248.370 2.704 50 0 BFAARN CC(=O)c1ccc(N[C@@H](C)c2ccncc2)nc1 ZINC000193373101 188004918 /nfs/dbraw/zinc/00/49/18/188004918.db2.gz GZQURVZCTOBDQQ-JTQLQIEISA-N 0 0 241.294 2.852 50 0 BFAARN CC(C)CC(=O)Nc1cc(C(C)C)[nH]n1 ZINC000049044541 353169576 /nfs/dbraw/zinc/16/95/76/353169576.db2.gz QGDCWXLZMXIZRO-UHFFFAOYSA-N 0 0 209.293 2.518 50 0 BFAARN Cc1ccc2[nH]nc(Br)c2c1 ZINC000014983521 363205889 /nfs/dbraw/zinc/20/58/89/363205889.db2.gz WCMSTEPRVSCYNM-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN FC(F)(F)c1csc(Br)n1 ZINC000057519988 180897997 /nfs/dbraw/zinc/89/79/97/180897997.db2.gz NZNVGMVYUYNBOM-UHFFFAOYSA-N 0 0 232.024 2.924 50 0 BFAARN CC(Nc1ccc(C)cc1)=C1CCOC1=O ZINC000000158926 188269398 /nfs/dbraw/zinc/26/93/98/188269398.db2.gz VFEILYRHNLBGGB-ZRDIBKRKSA-N 0 0 217.268 2.628 50 0 BFAARN COc1ccc(F)cc1Br ZINC000000164569 188272037 /nfs/dbraw/zinc/27/20/37/188272037.db2.gz JIQXVIJARQLCOY-UHFFFAOYSA-N 0 0 205.026 2.597 50 0 BFAARN Cc1cccc(NC(=O)c2cccc(N)c2)c1 ZINC000000236122 188272129 /nfs/dbraw/zinc/27/21/29/188272129.db2.gz WWPARZLQFZGMBB-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN CCc1cc(Br)ccc1NC(C)=O ZINC000000128877 188272582 /nfs/dbraw/zinc/27/25/82/188272582.db2.gz OMNWZCYGIXXMPS-UHFFFAOYSA-N 0 0 242.116 2.970 50 0 BFAARN CCOC(=O)[C@@H]1Cc2c(ccc3ccccc23)O1 ZINC000000168047 188272614 /nfs/dbraw/zinc/27/26/14/188272614.db2.gz CBMTXLJYTRWJSM-AWEZNQCLSA-N 0 0 242.274 2.706 50 0 BFAARN Cc1cccc(NC(=O)c2ccccc2C)n1 ZINC000000395816 188273386 /nfs/dbraw/zinc/27/33/86/188273386.db2.gz RZYZWEBQGXGTQY-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN CC(=O)CC(=O)Nc1cccc2ccccc21 ZINC000000564148 188273475 /nfs/dbraw/zinc/27/34/75/188273475.db2.gz LKVXQCKDIYHFGZ-UHFFFAOYSA-N 0 0 227.263 2.757 50 0 BFAARN CC(=O)c1ccc(NC(=O)C2CCC2)cc1 ZINC000000447205 188273481 /nfs/dbraw/zinc/27/34/81/188273481.db2.gz NAOHHWBLDUSUQE-UHFFFAOYSA-N 0 0 217.268 2.628 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000000372721 188273519 /nfs/dbraw/zinc/27/35/19/188273519.db2.gz TVNATGGVYMPRFS-ZETCQYMHSA-N 0 0 213.227 2.949 50 0 BFAARN C=CC(=O)Nc1ccc(Br)cc1 ZINC000000454029 188273594 /nfs/dbraw/zinc/27/35/94/188273594.db2.gz ZSBLNRQSHLZWNV-UHFFFAOYSA-N 0 0 226.073 2.574 50 0 BFAARN [O-]c1c(Cl)cc(F)cc1Br ZINC000002527877 188274966 /nfs/dbraw/zinc/27/49/66/188274966.db2.gz CRWILTIFGXJONJ-UHFFFAOYSA-N 0 0 225.444 2.947 50 0 BFAARN COCc1cc(Br)ccc1F ZINC000002528590 188275145 /nfs/dbraw/zinc/27/51/45/188275145.db2.gz VYZYGWURKGSBFI-UHFFFAOYSA-N 0 0 219.053 2.735 50 0 BFAARN Cc1nn(C(F)F)c(C)c1Br ZINC000003281478 188275387 /nfs/dbraw/zinc/27/53/87/188275387.db2.gz ZVKCFFWWIKLQLN-UHFFFAOYSA-N 0 0 225.036 2.658 50 0 BFAARN Cc1cccc(NC(=S)NC2CC2)c1C ZINC000002780957 188276085 /nfs/dbraw/zinc/27/60/85/188276085.db2.gz JZWXJTNUKWCBLC-UHFFFAOYSA-N 0 0 220.341 2.752 50 0 BFAARN COc1ccc([C@H](O)c2ccc(F)cc2)cc1 ZINC000004255931 188276642 /nfs/dbraw/zinc/27/66/42/188276642.db2.gz OPFPEZAJZHPSJX-CQSZACIVSA-N 0 0 232.254 2.916 50 0 BFAARN CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[C@H]1C=CC(=O)O1 ZINC000005533829 188277899 /nfs/dbraw/zinc/27/78/99/188277899.db2.gz URWJVUPZIGIVFZ-CIQGVGRVSA-N 0 0 238.327 2.903 50 0 BFAARN CN(C)c1ccc(C(=O)N(C)C2CCCC2)cc1 ZINC000012537655 188279162 /nfs/dbraw/zinc/27/91/62/188279162.db2.gz SNIJPYOMAYZSQP-UHFFFAOYSA-N 0 0 246.354 2.767 50 0 BFAARN CC(=O)C(C/C=C/c1ccccc1)C(C)=O ZINC000018059982 188280664 /nfs/dbraw/zinc/28/06/64/188280664.db2.gz PGEPOVPAPVUGAJ-RMKNXTFCSA-N 0 0 216.280 2.884 50 0 BFAARN CC(C)(C)Cc1nc2cc(N)ccc2o1 ZINC000019486072 188280771 /nfs/dbraw/zinc/28/07/71/188280771.db2.gz LDPJJOJJEJHGHR-UHFFFAOYSA-N 0 0 204.273 2.999 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000025560556 188282800 /nfs/dbraw/zinc/28/28/00/188282800.db2.gz QAFGZNIKOOFRDJ-XPUUQOCRSA-N 0 0 222.313 2.615 50 0 BFAARN COc1ccc(C(=O)Cc2ccncc2)cc1 ZINC000026423752 188283536 /nfs/dbraw/zinc/28/35/36/188283536.db2.gz FQOSOMYMMDPZAA-UHFFFAOYSA-N 0 0 227.263 2.516 50 0 BFAARN Cc1occc1C(=O)N(C)Cc1ccccc1F ZINC000032739285 188284288 /nfs/dbraw/zinc/28/42/88/188284288.db2.gz SCLAQZBROIUOND-UHFFFAOYSA-N 0 0 247.269 2.999 50 0 BFAARN CC(=O)Nc1cccc(-c2ccc(F)cn2)c1 ZINC000032529888 188284334 /nfs/dbraw/zinc/28/43/34/188284334.db2.gz RAIPJQJTXFQTRJ-UHFFFAOYSA-N 0 0 230.242 2.846 50 0 BFAARN CC(C)(C)n1cc(CNc2cccc(O)c2)cn1 ZINC000037238226 188287015 /nfs/dbraw/zinc/28/70/15/188287015.db2.gz SPEQZTSXCIOLSC-UHFFFAOYSA-N 0 0 245.326 2.956 50 0 BFAARN CCCn1cnc2c1nc(Cl)nc2Cl ZINC000039019942 188290852 /nfs/dbraw/zinc/29/08/52/188290852.db2.gz AXABRFYDCHAYBC-UHFFFAOYSA-N 0 0 231.086 2.543 50 0 BFAARN Cc1ccc(C)c(C(=O)CCC(=O)NC(C)C)c1 ZINC000040459288 188291454 /nfs/dbraw/zinc/29/14/54/188291454.db2.gz JJXCJDBPOQPSAO-UHFFFAOYSA-N 0 0 247.338 2.791 50 0 BFAARN CCc1ccc(Br)cc1C(=O)OC ZINC000039951704 188291920 /nfs/dbraw/zinc/29/19/20/188291920.db2.gz NYMZTCOVKDJUKT-UHFFFAOYSA-N 0 0 243.100 2.798 50 0 BFAARN Cc1ccc(C(=O)c2cccc(C)n2)cc1 ZINC000045028465 188297477 /nfs/dbraw/zinc/29/74/77/188297477.db2.gz LZSUPUPGIBLKCR-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN COc1ccc(NC(=O)C(C)(C)C)cc1F ZINC000048302007 188297912 /nfs/dbraw/zinc/29/79/12/188297912.db2.gz MBJSPGAIFDRMLZ-UHFFFAOYSA-N 0 0 225.263 2.819 50 0 BFAARN C/C=C/CC(=O)N(C)[C@H](C)Cc1cc(C)ccn1 ZINC000055052622 188300769 /nfs/dbraw/zinc/30/07/69/188300769.db2.gz WZBZWYVJUMVZDO-URWSZGRFSA-N 0 0 246.354 2.746 50 0 BFAARN CC(=O)NCc1cccc(-c2ccc(O)cc2)c1 ZINC000067604880 188305116 /nfs/dbraw/zinc/30/51/16/188305116.db2.gz YGDRAQWKCKIQIA-UHFFFAOYSA-N 0 0 241.290 2.695 50 0 BFAARN Nc1cc(-c2ccc3n[nH]cc3c2)c2cc[nH]c2n1 ZINC000072161107 188306590 /nfs/dbraw/zinc/30/65/90/188306590.db2.gz KJZDOUDFODRMSJ-UHFFFAOYSA-N 0 0 249.277 2.688 50 0 BFAARN CC(C)[C@H]1CC(=O)Oc2ccc3nsnc3c21 ZINC000096223331 188320969 /nfs/dbraw/zinc/32/09/69/188320969.db2.gz SNPOQQUPGAOHDN-SSDOTTSWSA-N 0 0 248.307 2.740 50 0 BFAARN CC1(c2ccc(Br)cc2)COC1 ZINC000096372400 188321368 /nfs/dbraw/zinc/32/13/68/188321368.db2.gz PJUDQBGOXZAYIJ-UHFFFAOYSA-N 0 0 227.101 2.737 50 0 BFAARN Cc1nc2oc(-c3ccccc3)cc2c(N)n1 ZINC000096194529 188321566 /nfs/dbraw/zinc/32/15/66/188321566.db2.gz BVBCGVHIJJGFCW-UHFFFAOYSA-N 0 0 225.251 2.780 50 0 BFAARN Cc1c(F)c([O-])c(F)cc1Br ZINC000085477066 188316568 /nfs/dbraw/zinc/31/65/68/188316568.db2.gz GBQRYNKXPAXGKA-UHFFFAOYSA-N 0 0 223.016 2.741 50 0 BFAARN CSc1nc2ccccc2c(N2CCCC2)n1 ZINC000001394104 353360234 /nfs/dbraw/zinc/36/02/34/353360234.db2.gz OAHTXDCXTGALRN-UHFFFAOYSA-N 0 0 245.351 2.952 50 0 BFAARN Cc1cccc(-c2noc(C[NH2+]C(C)(C)C)n2)c1 ZINC000006697556 188332982 /nfs/dbraw/zinc/33/29/82/188332982.db2.gz FQHAUZJHUGINPJ-UHFFFAOYSA-N 0 0 245.326 2.933 50 0 BFAARN Cc1nc(N)ncc1Sc1ccccc1 ZINC000000123743 188333861 /nfs/dbraw/zinc/33/38/61/188333861.db2.gz VIDGCIWOPYNDCN-UHFFFAOYSA-N 0 0 217.297 2.518 50 0 BFAARN Cc1cccc(NC(=O)c2ccccc2)n1 ZINC000000153963 188334122 /nfs/dbraw/zinc/33/41/22/188334122.db2.gz DGNOULWVJGOOFT-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN CC(C)[C@H](C)NC(=O)Nc1ccccc1 ZINC000000409082 188334995 /nfs/dbraw/zinc/33/49/95/188334995.db2.gz FUHIHFNTKRYEQQ-JTQLQIEISA-N 0 0 206.289 2.853 50 0 BFAARN Cc1cc(C)c2c(c1)[C@H](O)CC(C)(C)O2 ZINC000005724787 188337479 /nfs/dbraw/zinc/33/74/79/188337479.db2.gz BBHBEYHXGFQONF-LLVKDONJSA-N 0 0 206.285 2.898 50 0 BFAARN CC1=CC(C)N=c2ccc3nonc3c2=N1 ZINC000006493263 188337781 /nfs/dbraw/zinc/33/77/81/188337781.db2.gz XGIJURXPUUVVQP-UHFFFAOYSA-N 0 0 214.228 2.645 50 0 BFAARN Cc1ccc(NC(=O)NCC2CCOCC2)cc1 ZINC000169763044 188338631 /nfs/dbraw/zinc/33/86/31/188338631.db2.gz MDPHXEVQGKDSGY-UHFFFAOYSA-N 0 0 248.326 2.543 50 0 BFAARN C[C@H]1CC=C(c2ccccc2)C(=S)N1 ZINC000013686474 188343298 /nfs/dbraw/zinc/34/32/98/188343298.db2.gz UJEYHIWKFIXAEE-VIFPVBQESA-N 0 0 203.310 2.779 50 0 BFAARN O=C(OCc1cncs1)c1cccs1 ZINC000001403717 353386345 /nfs/dbraw/zinc/38/63/45/353386345.db2.gz VAIKSSYHFGBOFE-UHFFFAOYSA-N 0 0 225.294 2.562 50 0 BFAARN CC(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 ZINC000028304897 188358324 /nfs/dbraw/zinc/35/83/24/188358324.db2.gz BNRYBFWRLREJCA-NSHDSACASA-N 0 0 228.295 2.674 50 0 BFAARN C=CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000242687326 188369256 /nfs/dbraw/zinc/36/92/56/188369256.db2.gz UFMAVTXURXGNCN-KNZXXDILSA-N 0 0 206.285 2.540 50 0 BFAARN Cc1c(Br)cccc1SCCO ZINC000255187897 188369595 /nfs/dbraw/zinc/36/95/95/188369595.db2.gz HLFDYHASLGCCSK-UHFFFAOYSA-N 0 0 247.157 2.842 50 0 BFAARN Fc1cccc(-c2nc(-c3ccccn3)no2)c1 ZINC000004513143 180993411 /nfs/dbraw/zinc/99/34/11/180993411.db2.gz KKOMUMXAHMIGQB-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN Fc1cccc(CNc2cccnc2)c1 ZINC000019884130 180998455 /nfs/dbraw/zinc/99/84/55/180998455.db2.gz FYCFPHMZCJJYEG-UHFFFAOYSA-N 0 0 202.232 2.833 50 0 BFAARN CCc1nc(C)ccc1OCc1ncc(C)o1 ZINC000190769679 353712198 /nfs/dbraw/zinc/71/21/98/353712198.db2.gz DCYONQYTLZOGSZ-UHFFFAOYSA-N 0 0 232.283 2.828 50 0 BFAARN Fc1ccccc1CNc1ccc(Cl)nn1 ZINC000020548654 181013511 /nfs/dbraw/zinc/01/35/11/181013511.db2.gz URUSMXUULRIJHH-UHFFFAOYSA-N 0 0 237.665 2.881 50 0 BFAARN CCC1=NC(C)(C)Cc2cc3c(cc21)OCCO3 ZINC000001428851 353738875 /nfs/dbraw/zinc/73/88/75/353738875.db2.gz RWSJCXGAMOKVDL-UHFFFAOYSA-N 0 0 245.322 2.992 50 0 BFAARN Fc1ccccc1-n1ncc2c1ncnc2Cl ZINC000036928356 181010542 /nfs/dbraw/zinc/01/05/42/181010542.db2.gz GYEMWSMYVIWILO-UHFFFAOYSA-N 0 0 248.648 2.608 50 0 BFAARN CCCCCNc1ccccc1S(C)(=O)=O ZINC000035098369 168722712 /nfs/dbraw/zinc/72/27/12/168722712.db2.gz NQLNRAKZAUQIAP-UHFFFAOYSA-N 0 0 241.356 2.692 50 0 BFAARN Fc1nc(F)c(Cl)c(F)c1Cl ZINC000001850900 181020572 /nfs/dbraw/zinc/02/05/72/181020572.db2.gz PKSORSNCSXBXOT-UHFFFAOYSA-N 0 0 201.962 2.806 50 0 BFAARN Fc1nc(Cl)ccc1Br ZINC000012359471 181021227 /nfs/dbraw/zinc/02/12/27/181021227.db2.gz VKBRLJKCZACHPU-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN Fc1nc(F)c(Cl)c(-n2cccc2)c1F ZINC000012338668 181021260 /nfs/dbraw/zinc/02/12/60/181021260.db2.gz HHXPDIUJXLMDDP-UHFFFAOYSA-N 0 0 232.592 2.943 50 0 BFAARN Fc1cncc(OCCC(F)(F)F)c1 ZINC000169725440 181021314 /nfs/dbraw/zinc/02/13/14/181021314.db2.gz LCAZUMZKCDYAJN-UHFFFAOYSA-N 0 0 209.142 2.552 50 0 BFAARN c1nc(-c2cccc3c4c([nH]c32)CCCC4)n[nH]1 ZINC000670470540 487527606 /nfs/dbraw/zinc/52/76/06/487527606.db2.gz BGJYANDISZLEEO-UHFFFAOYSA-N 0 0 238.294 2.832 50 0 BFAARN CCOc1cnc(-c2ccccc2F)o1 ZINC000001382599 363313686 /nfs/dbraw/zinc/31/36/86/363313686.db2.gz RWNQFGAQRRPFRU-UHFFFAOYSA-N 0 0 207.204 2.879 50 0 BFAARN CSc1cccc(NC(=O)c2cccn2C)c1 ZINC000032978800 354594326 /nfs/dbraw/zinc/59/43/26/354594326.db2.gz CCVWTPXUJXUMPZ-UHFFFAOYSA-N 0 0 246.335 2.999 50 0 BFAARN CSc1ccccc1NC(=O)c1cccn1C ZINC000032958644 354594405 /nfs/dbraw/zinc/59/44/05/354594405.db2.gz GZYCPMWJANSLAE-UHFFFAOYSA-N 0 0 246.335 2.999 50 0 BFAARN CCN(C(=O)c1ccncc1)C1CCCCC1 ZINC000032902886 354596671 /nfs/dbraw/zinc/59/66/71/354596671.db2.gz ZQCISDWUIKOJCA-UHFFFAOYSA-N 0 0 232.327 2.876 50 0 BFAARN CN(C)c1ccccc1NC(=O)C1CCCC1 ZINC000033121910 354596878 /nfs/dbraw/zinc/59/68/78/354596878.db2.gz KNHSKJKEFQIXFH-UHFFFAOYSA-N 0 0 232.327 2.881 50 0 BFAARN O=C1CCCc2oc3ccc(O)cc3c21 ZINC000002140662 363384806 /nfs/dbraw/zinc/38/48/06/363384806.db2.gz MSOMYAAXIQYGOT-UHFFFAOYSA-N 0 0 202.209 2.657 50 0 biogenic BFAARN CCCCC[S@@](=O)c1ccoc1C ZINC000191201729 168747825 /nfs/dbraw/zinc/74/78/25/168747825.db2.gz MTVFZTQWLKSDDK-CYBMUJFWSA-N 0 0 200.303 2.886 50 0 BFAARN ClC1(Cl)C[C@@H]1Cn1nnc2ccccc21 ZINC000035144390 355854006 /nfs/dbraw/zinc/85/40/06/355854006.db2.gz QSBKMHCPCLXRAF-SSDOTTSWSA-N 0 0 242.109 2.625 50 0 BFAARN CCOc1ccc(C(=O)Nc2nccs2)cc1 ZINC000000311258 355937226 /nfs/dbraw/zinc/93/72/26/355937226.db2.gz LJEWEQSEYGLEFC-UHFFFAOYSA-N 0 0 248.307 2.794 50 0 BFAARN CN(C(=O)c1cc(C2CC2)n[nH]1)C1CCCCC1 ZINC000035537845 355954041 /nfs/dbraw/zinc/95/40/41/355954041.db2.gz QRQMUVIAGOYIKD-UHFFFAOYSA-N 0 0 247.342 2.692 50 0 BFAARN C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000000395005 356357770 /nfs/dbraw/zinc/35/77/70/356357770.db2.gz ZBMCOYJNWKBBCY-JTQLQIEISA-N 0 0 208.301 2.744 50 0 BFAARN COC(=O)[C@H](C)CSCc1ccccc1 ZINC000000396240 356358125 /nfs/dbraw/zinc/35/81/25/356358125.db2.gz VIAAAKCYRCELPR-SNVBAGLBSA-N 0 0 224.325 2.729 50 0 BFAARN CCCCC[C@@H]1COCC[C@H]1OC(C)=O ZINC000002166742 356365646 /nfs/dbraw/zinc/36/56/46/356365646.db2.gz VSRVCSJJKWDZSH-VXGBXAGGSA-N 0 0 214.305 2.535 50 0 BFAARN Cc1ccc(N)cc1NC(=O)OC(C)(C)C ZINC000002599344 356366492 /nfs/dbraw/zinc/36/64/92/356366492.db2.gz DLOHVUPBQBCZGE-UHFFFAOYSA-N 0 0 222.288 2.924 50 0 BFAARN C1=C(c2ccccc2)N2CCCN=C2S1 ZINC000003091295 356366756 /nfs/dbraw/zinc/36/67/56/356366756.db2.gz XZWPLVUQTBSUBV-UHFFFAOYSA-N 0 0 216.309 2.794 50 0 BFAARN CC1(C)O[C@@H]2C(Br)=CCC[C@]2(C)O1 ZINC000043763727 356371787 /nfs/dbraw/zinc/37/17/87/356371787.db2.gz WQOHMEQNKSQHMQ-SCZZXKLOSA-N 0 0 247.132 2.969 50 0 BFAARN CC1(C)COP(=O)(Nc2ccccn2)OC1 ZINC000015909528 356556410 /nfs/dbraw/zinc/55/64/10/356556410.db2.gz IKSCXUYIKOHQDD-UHFFFAOYSA-N 0 0 242.215 2.675 50 0 BFAARN Cc1ccsc1C(=O)NC1CCCC1 ZINC000012853394 363485361 /nfs/dbraw/zinc/48/53/61/363485361.db2.gz AIJOPNQTVGOHJI-UHFFFAOYSA-N 0 0 209.314 2.729 50 0 BFAARN CCSc1nc2ccccc2c(=O)n1C1CC1 ZINC000012922033 363487446 /nfs/dbraw/zinc/48/74/46/363487446.db2.gz CKUKUGDHXYSMOI-UHFFFAOYSA-N 0 0 246.335 2.843 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2s1 ZINC000012921723 356617590 /nfs/dbraw/zinc/61/75/90/356617590.db2.gz FHJQNQMNXFCJJM-YUMQZZPRSA-N 0 0 232.308 2.891 50 0 BFAARN CCN(CC)C(=O)c1ccc(Cl)s1 ZINC000040459422 363524064 /nfs/dbraw/zinc/52/40/64/363524064.db2.gz RSFWSPAGALNDPM-UHFFFAOYSA-N 0 0 217.721 2.884 50 0 BFAARN Cc1nc(C)c(C(=O)N2CC[C@@H]3CCCC[C@H]32)o1 ZINC000089558058 538581460 /nfs/dbraw/zinc/58/14/60/538581460.db2.gz KSPWRNXBSYLLEN-NWDGAFQWSA-N 0 0 248.326 2.696 50 0 BFAARN O=C(c1cccs1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000089799902 538583158 /nfs/dbraw/zinc/58/31/58/538583158.db2.gz FDGUUEWNXDFVOP-PHIMTYICSA-N 0 0 233.336 2.786 50 0 BFAARN C(=C/c1ccccn1)\c1nc(C2CC2)no1 ZINC000089878907 538584975 /nfs/dbraw/zinc/58/49/75/538584975.db2.gz VNULEYMNNUFQBT-VOTSOKGWSA-N 0 0 213.240 2.512 50 0 BFAARN CC(=O)N1CCC(=Cc2ccccc2)CC1 ZINC000095408089 538609289 /nfs/dbraw/zinc/60/92/89/538609289.db2.gz WAPKLXHNKSVMRA-UHFFFAOYSA-N 0 0 215.296 2.712 50 0 BFAARN CC[C@H](C(=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096963677 538616582 /nfs/dbraw/zinc/61/65/82/538616582.db2.gz LEKMNFWFDOYZRS-KBPBESRZSA-N 0 0 247.338 2.619 50 0 BFAARN Cc1cccc(C(=O)Nc2cccnc2)c1C ZINC000015436247 356763559 /nfs/dbraw/zinc/76/35/59/356763559.db2.gz XHUXTNAWTWESLM-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1nccn1C[C@H](C)OC(=O)CC(C)(C)C ZINC000075109495 356841157 /nfs/dbraw/zinc/84/11/57/356841157.db2.gz WBOZSOHZUZVUJC-JTQLQIEISA-N 0 0 238.331 2.559 50 0 BFAARN C[C@H](Cc1cccs1)C(=O)N1CCCC1 ZINC000098013228 538713112 /nfs/dbraw/zinc/71/31/12/538713112.db2.gz OWQPMPREXUEBST-SNVBAGLBSA-N 0 0 223.341 2.549 50 0 BFAARN O=C1CCn2c(CNc3ccccc3)ccc21 ZINC000075260731 356927693 /nfs/dbraw/zinc/92/76/93/356927693.db2.gz BTDWQPVUFJZFRN-UHFFFAOYSA-N 0 0 226.279 2.687 50 0 BFAARN Fc1ccc(F)c(NC(=S)N2CCCC2)c1 ZINC000075260658 356927969 /nfs/dbraw/zinc/92/79/69/356927969.db2.gz XZMDBLUPMFPAEH-UHFFFAOYSA-N 0 0 242.294 2.757 50 0 BFAARN CCCCOc1c(F)c(O)ccc1OC ZINC000261494093 491106883 /nfs/dbraw/zinc/10/68/83/491106883.db2.gz PRLOKZYJISCEBK-UHFFFAOYSA-N 0 0 214.236 2.719 50 0 BFAARN Cn1nc(C(C)(C)C)cc1NC(=O)C1CCCC1 ZINC000012945181 538777719 /nfs/dbraw/zinc/77/77/19/538777719.db2.gz REDUQEKUZMPYKO-UHFFFAOYSA-N 0 0 249.358 2.846 50 0 BFAARN CC(C)(C)OC(=O)n1c(CO)cc2ccccc21 ZINC000021996181 357055042 /nfs/dbraw/zinc/05/50/42/357055042.db2.gz RUYWVLLULLUPTR-UHFFFAOYSA-N 0 0 247.294 2.917 50 0 BFAARN CC(C)=C[C@H]1[C@H](C(=O)NC(C)C)C1(C)C ZINC000012981289 538780769 /nfs/dbraw/zinc/78/07/69/538780769.db2.gz KAKXBNHJXOBMRL-WDEREUQCSA-N 0 0 209.333 2.749 50 0 BFAARN C[C@@H](NC(=O)c1ccncc1)c1cccc(F)c1 ZINC000012984520 538781722 /nfs/dbraw/zinc/78/17/22/538781722.db2.gz HGTYLQAFFRTFCS-SNVBAGLBSA-N 0 0 244.269 2.712 50 0 BFAARN CC[C@@H](C)NC(=O)c1cc(Cl)ccc1O ZINC000001689014 357146141 /nfs/dbraw/zinc/14/61/41/357146141.db2.gz RQYXVZYBAZYMNB-SSDOTTSWSA-N 0 0 227.691 2.574 50 0 BFAARN Fc1cccc(C2=CSC3=NCCN23)c1 ZINC000102193870 357214928 /nfs/dbraw/zinc/21/49/28/357214928.db2.gz BLTIOXLFAIOTGJ-UHFFFAOYSA-N 0 0 220.272 2.543 50 0 BFAARN CC(C)(C)[C@@H](N)c1nc(-c2ccccc2)no1 ZINC000035411429 357231487 /nfs/dbraw/zinc/23/14/87/357231487.db2.gz ICNUBRSICPXNSU-JTQLQIEISA-N 0 0 231.299 2.783 50 0 BFAARN CC(C)COc1ccc2c(c1)C(=O)CC2 ZINC000102176421 357186607 /nfs/dbraw/zinc/18/66/07/357186607.db2.gz CUPNOEVWWBNYIE-UHFFFAOYSA-N 0 0 204.269 2.850 50 0 BFAARN CCC1=N/C(=C\c2ccc(C)cc2)C(=O)O1 ZINC000006308375 357256778 /nfs/dbraw/zinc/25/67/78/357256778.db2.gz BLNPHDGYEJSVCF-FLIBITNWSA-N 0 0 215.252 2.701 50 0 BFAARN Nc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC000001683116 357335993 /nfs/dbraw/zinc/33/59/93/357335993.db2.gz LMDJMTDZULLTGY-UHFFFAOYSA-N 0 0 232.670 2.548 50 0 BFAARN NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000004619262 181294225 /nfs/dbraw/zinc/29/42/25/181294225.db2.gz NWEWSQWKNMSBOP-UHFFFAOYSA-N 0 0 245.322 2.846 50 0 BFAARN Cc1occc1C(=O)Nc1cccc(F)c1 ZINC000000375731 358087408 /nfs/dbraw/zinc/08/74/08/358087408.db2.gz FKDUQTFAPRNUST-UHFFFAOYSA-N 0 0 219.215 2.979 50 0 BFAARN O=C(c1ccccc1)N1CCOC12CCCCC2 ZINC000035671104 358088541 /nfs/dbraw/zinc/08/85/41/358088541.db2.gz QKIUGEKIYMSQOT-UHFFFAOYSA-N 0 0 245.322 2.819 50 0 BFAARN COc1ccc(COC2CC=CC2)cc1 ZINC000584593245 358250923 /nfs/dbraw/zinc/25/09/23/358250923.db2.gz LWTDLFWZSUMGFP-UHFFFAOYSA-N 0 0 204.269 2.930 50 0 BFAARN CCCCS[C@H]1CCCN(C(C)C)C1=O ZINC000170652046 363610919 /nfs/dbraw/zinc/61/09/19/363610919.db2.gz UZMKSUYIUBXBNF-NSHDSACASA-N 0 0 229.389 2.919 50 0 BFAARN Cc1ccc(NC(=O)c2ccnn2C)cc1Cl ZINC000048374116 358629455 /nfs/dbraw/zinc/62/94/55/358629455.db2.gz RBYDABLLKCGQGW-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN Cc1ccc(CC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000006478893 359348008 /nfs/dbraw/zinc/34/80/08/359348008.db2.gz LZCRPEINWQFTNV-CYBMUJFWSA-N 0 0 231.339 2.796 50 0 BFAARN CC[C@@H]1CN(c2nc3ccccc3s2)CCO1 ZINC000075667505 359634195 /nfs/dbraw/zinc/63/41/95/359634195.db2.gz HJINJFKHVPDRMH-SNVBAGLBSA-N 0 0 248.351 2.912 50 0 BFAARN CC(C)(C)C(=O)NC(=S)Nc1ccccc1 ZINC000000310694 166528086 /nfs/dbraw/zinc/52/80/86/166528086.db2.gz NDZOHSWHYQDPOR-UHFFFAOYSA-N 0 0 236.340 2.546 50 0 BFAARN CCCC[C@@H]1CCC[C@@H]1NC(=O)NCC ZINC000069721577 360028473 /nfs/dbraw/zinc/02/84/73/360028473.db2.gz WGMJPGNUFBEONY-MNOVXSKESA-N 0 0 212.337 2.664 50 0 BFAARN CC(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000089643195 360031087 /nfs/dbraw/zinc/03/10/87/360031087.db2.gz FSINBBAOXOBSDZ-CQSZACIVSA-N 0 0 217.312 2.987 50 0 BFAARN CC(C)CNC(=O)c1ccc2c(ccn2C)c1 ZINC000064551712 360217037 /nfs/dbraw/zinc/21/70/37/360217037.db2.gz SPTZYCDTSPPAIU-UHFFFAOYSA-N 0 0 230.311 2.564 50 0 BFAARN CC(C)(C)C(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000034591216 166533854 /nfs/dbraw/zinc/53/38/54/166533854.db2.gz BFLNZJOMWNGZKB-UHFFFAOYSA-N 0 0 223.320 2.692 50 0 BFAARN NC(=O)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000000124439 181300853 /nfs/dbraw/zinc/30/08/53/181300853.db2.gz SXGZAZURNOZUJP-UHFFFAOYSA-N 0 0 248.669 2.626 50 0 BFAARN COc1ccc(-c2ccc(F)cn2)cc1 ZINC000117805368 360490264 /nfs/dbraw/zinc/49/02/64/360490264.db2.gz JMZIKWASFJZZIK-UHFFFAOYSA-N 0 0 203.216 2.896 50 0 BFAARN CC(C)(O)c1c(F)c(F)c(F)c(F)c1F ZINC000001627129 219807624 /nfs/dbraw/zinc/80/76/24/219807624.db2.gz KGZQNFRUGHFDNR-UHFFFAOYSA-N 0 0 226.144 2.610 50 0 BFAARN CC[C@H]1c2ccc(C)cc2CCN1C(C)=O ZINC000036113972 360614585 /nfs/dbraw/zinc/61/45/85/360614585.db2.gz UUWRWWALTUSQSV-AWEZNQCLSA-N 0 0 217.312 2.851 50 0 BFAARN NC(=O)c1cccnc1Oc1ccc(Cl)cc1 ZINC000000131997 181307292 /nfs/dbraw/zinc/30/72/92/181307292.db2.gz CBSIEDJQUZNDOY-UHFFFAOYSA-N 0 0 248.669 2.626 50 0 BFAARN NC(=O)c1cccc(OCc2ccc(F)cc2)c1 ZINC000016527238 181305658 /nfs/dbraw/zinc/30/56/58/181305658.db2.gz NKESOALIWGLWHX-UHFFFAOYSA-N 0 0 245.253 2.504 50 0 BFAARN NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000013659118 181319368 /nfs/dbraw/zinc/31/93/68/181319368.db2.gz CCNCITSJXCSXJY-UHFFFAOYSA-N 0 0 221.112 2.649 50 0 BFAARN c1cn(Cc2ccc3c[nH]nc3c2)c(C2CC2)n1 ZINC000629259537 360980179 /nfs/dbraw/zinc/98/01/79/360980179.db2.gz QJFKNPMTYISALQ-UHFFFAOYSA-N 0 0 238.294 2.685 50 0 BFAARN CCCn1ccnc1SCc1cc(C)on1 ZINC000036396551 361081632 /nfs/dbraw/zinc/08/16/32/361081632.db2.gz JQFPETQWFOWQRY-UHFFFAOYSA-N 0 0 237.328 2.882 50 0 BFAARN CSCc1cccc(C(=O)NC(C)C)c1 ZINC000036395983 361082051 /nfs/dbraw/zinc/08/20/51/361082051.db2.gz LGQNWDXBDIMMGJ-UHFFFAOYSA-N 0 0 223.341 2.688 50 0 BFAARN CC(C)c1ccc(-c2ccc(N(C)C)nc2)nn1 ZINC000426719991 200997948 /nfs/dbraw/zinc/99/79/48/200997948.db2.gz QEMQXEPNRXIFHB-UHFFFAOYSA-N 0 0 242.326 2.728 50 0 BFAARN O=c1cc(Br)c(C(F)(F)F)c[nH]1 ZINC000238726949 361372189 /nfs/dbraw/zinc/37/21/89/361372189.db2.gz SDZLGVPGAFSPAM-UHFFFAOYSA-N 0 0 241.994 2.569 50 0 BFAARN O=c1cc(Br)[nH]c(C(F)(F)F)c1 ZINC000238727514 361372460 /nfs/dbraw/zinc/37/24/60/361372460.db2.gz VAHCTEZXCUEHEI-UHFFFAOYSA-N 0 0 241.994 2.569 50 0 BFAARN CCSCC(=O)c1ccc(OC)cc1 ZINC000037652408 364436225 /nfs/dbraw/zinc/43/62/25/364436225.db2.gz HTYVBAYXSKZNOC-UHFFFAOYSA-N 0 0 210.298 2.631 50 0 BFAARN [NH3+]CCCCCCCCCCC(=O)[O-] ZINC000001763117 181375548 /nfs/dbraw/zinc/37/55/48/181375548.db2.gz GUOSQNAUYHMCRU-UHFFFAOYSA-N 0 0 201.310 2.541 50 0 in-vitro BFAARN CC(C)=C[C@H]1[C@@H](C(=O)NC2CC2)C1(C)C ZINC000012905692 541486770 /nfs/dbraw/zinc/48/67/70/541486770.db2.gz PADZZLZDZKMHPI-QWRGUYRKSA-N 0 0 207.317 2.503 50 0 BFAARN C[C@@H]1c2cccc(C(=O)N3CCCC3)c2O[C@H]1C ZINC000032820038 541502209 /nfs/dbraw/zinc/50/22/09/541502209.db2.gz AQICUQZJCACHLG-QWRGUYRKSA-N 0 0 245.322 2.807 50 0 BFAARN CC[C@]1(C)OC(=O)N(c2ccccc2)[C@@]1(C)O ZINC000001055174 367652873 /nfs/dbraw/zinc/65/28/73/367652873.db2.gz HZYGFMWHYMVDFI-STQMWFEESA-N 0 0 235.283 2.520 50 0 BFAARN COc1ccc(C2=NCc3ccccc3N2)cc1 ZINC000019800406 368371050 /nfs/dbraw/zinc/37/10/50/368371050.db2.gz ZIXRQUHFRZQCTP-UHFFFAOYSA-N 0 0 238.290 2.877 50 0 BFAARN CC(C)[C@H]1C[C@H](C)CC[C@H]1O[C@H]1C=CC(=O)O1 ZINC000017111913 368371417 /nfs/dbraw/zinc/37/14/17/368371417.db2.gz CLAZQKKQQKBAAC-HKUMRIAESA-N 0 0 238.327 2.903 50 0 BFAARN CCOC(=O)[C@@H]1[C@H]2C=Cc3cccc4c3[C@]21CC4 ZINC000019909717 368373013 /nfs/dbraw/zinc/37/30/13/368373013.db2.gz TWOPSOAYLHVZEI-INWMFGNUSA-N 0 0 240.302 2.707 50 0 BFAARN CCNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000034381101 368374800 /nfs/dbraw/zinc/37/48/00/368374800.db2.gz VUNOFAIHSALQQH-GRYCIOLGSA-N 0 0 211.349 2.831 50 0 endogenous,in-man BFAARN OCC(F)(F)c1cccc(Br)c1 ZINC000117766884 368385972 /nfs/dbraw/zinc/38/59/72/368385972.db2.gz CYKAKPQCSGHMAD-UHFFFAOYSA-N 0 0 237.043 2.533 50 0 BFAARN CC(C)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000149491409 368394953 /nfs/dbraw/zinc/39/49/53/368394953.db2.gz WAFZLIUGPYJQIS-UHFFFAOYSA-N 0 0 232.732 2.770 50 0 BFAARN COc1ccccc1NC(=O)Nc1ccncc1 ZINC000000040951 368488162 /nfs/dbraw/zinc/48/81/62/368488162.db2.gz KMVUSIMRULJODH-UHFFFAOYSA-N 0 0 243.266 2.734 50 0 BFAARN Fc1ccc(-c2nc(-c3cccnc3)no2)cc1 ZINC000000238235 368521802 /nfs/dbraw/zinc/52/18/02/368521802.db2.gz WZPIGDJATCAREO-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN Cc1ccc(C(=O)NC(C)(C)C)c(C)c1 ZINC000000514664 368560480 /nfs/dbraw/zinc/56/04/80/368560480.db2.gz KGZACQDGTORXLH-UHFFFAOYSA-N 0 0 205.301 2.832 50 0 BFAARN Cc1cccnc1CC(=O)NC1(C(C)(C)C)CC1 ZINC000584888043 369036234 /nfs/dbraw/zinc/03/62/34/369036234.db2.gz DNHHVKQLALNHNB-UHFFFAOYSA-N 0 0 246.354 2.627 50 0 BFAARN COc1ccccc1NC(=O)N[C@@H](C)C(C)C ZINC000018176123 369602839 /nfs/dbraw/zinc/60/28/39/369602839.db2.gz PQMMIUPKDLDHJF-JTQLQIEISA-N 0 0 236.315 2.861 50 0 BFAARN O=C(c1cnc2ccccn12)c1ccccc1 ZINC000013207511 371023569 /nfs/dbraw/zinc/02/35/69/371023569.db2.gz KENNIKKVQDCFIX-UHFFFAOYSA-N 0 0 222.247 2.565 50 0 BFAARN COC[C@@](C)(NCc1ccco1)c1ccccc1 ZINC000154679520 371142757 /nfs/dbraw/zinc/14/27/57/371142757.db2.gz YVZDKTXYIALVCK-OAHLLOKOSA-N 0 0 245.322 2.931 50 0 BFAARN NN1[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000019168552 371119240 /nfs/dbraw/zinc/11/92/40/371119240.db2.gz GXDYVAZATOFPPQ-KBPBESRZSA-N 0 0 210.280 2.658 50 0 BFAARN NN1[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000019169344 371119760 /nfs/dbraw/zinc/11/97/60/371119760.db2.gz GXDYVAZATOFPPQ-MZBDJJRSSA-N 0 0 210.280 2.658 50 0 BFAARN O=C(OCc1ccsc1)c1ccco1 ZINC000078948963 371158008 /nfs/dbraw/zinc/15/80/08/371158008.db2.gz MYHFHZBIINYCOL-UHFFFAOYSA-N 0 0 208.238 2.698 50 0 BFAARN NNc1ccc(Br)c2ccccc12 ZINC000002533966 181518899 /nfs/dbraw/zinc/51/88/99/181518899.db2.gz GZPWPJCVHJJOEV-UHFFFAOYSA-N 0 0 237.100 2.888 50 0 BFAARN c1cncc(Cc2noc([C@H]3CC=CCC3)n2)c1 ZINC000020119764 371232323 /nfs/dbraw/zinc/23/23/23/371232323.db2.gz MHVLHUMWYUTSJZ-LBPRGKRZSA-N 0 0 241.294 2.879 50 0 BFAARN CCNC(=O)N[C@H](C)Cc1cc2ccccc2o1 ZINC000390828810 371239078 /nfs/dbraw/zinc/23/90/78/371239078.db2.gz BVQGJXYRWUPULA-SNVBAGLBSA-N 0 0 246.310 2.683 50 0 BFAARN CCc1nc(COc2cccnc2C)cs1 ZINC000095428626 371283590 /nfs/dbraw/zinc/28/35/90/371283590.db2.gz ZPKMFSOKTDDFDI-UHFFFAOYSA-N 0 0 234.324 2.988 50 0 BFAARN CSc1ccc(-c2oc(C)c(C)[n+]2[O-])cc1 ZINC000020663802 371310983 /nfs/dbraw/zinc/31/09/83/371310983.db2.gz OKRVFUXKDJEDSE-UHFFFAOYSA-N 0 0 235.308 2.919 50 0 BFAARN COc1cc(F)c(Cl)cc1C(C)=O ZINC000095836907 371354390 /nfs/dbraw/zinc/35/43/90/371354390.db2.gz NUKFZXCIMPRVGS-UHFFFAOYSA-N 0 0 202.612 2.690 50 0 BFAARN Cc1ccc(NC(=O)C[C@H](C)n2cccn2)cc1 ZINC000020991009 371355683 /nfs/dbraw/zinc/35/56/83/371355683.db2.gz DVURJQOBEPKPMM-LBPRGKRZSA-N 0 0 243.310 2.781 50 0 BFAARN C[C@H](CC(=O)Nc1ccc(F)cc1)n1cccn1 ZINC000020990776 371355738 /nfs/dbraw/zinc/35/57/38/371355738.db2.gz OPYPBUPQXXHTRE-SNVBAGLBSA-N 0 0 247.273 2.612 50 0 BFAARN CC[C@@H](SC)C(=O)Nc1cc(O)cc(F)c1 ZINC000095979236 371368872 /nfs/dbraw/zinc/36/88/72/371368872.db2.gz QJENOMDMSBHVAW-SNVBAGLBSA-N 0 0 243.303 2.611 50 0 BFAARN Nc1c2nsnc2c(Cl)cc1Cl ZINC000012341457 181667005 /nfs/dbraw/zinc/66/70/05/181667005.db2.gz BHDCZIZWPKHDHA-UHFFFAOYSA-N 0 0 220.084 2.580 50 0 BFAARN CC(C)CCn1ccc(N[C@H]2CCO[C@@H]2C)n1 ZINC000095991636 371372111 /nfs/dbraw/zinc/37/21/11/371372111.db2.gz UAOVYWCJAKFTIN-NEPJUHHUSA-N 0 0 237.347 2.519 50 0 BFAARN Cc1noc2ncnc(N(C)C3CCCCC3)c12 ZINC000021531565 371443494 /nfs/dbraw/zinc/44/34/94/371443494.db2.gz UMVDXMCCIBCEHR-UHFFFAOYSA-N 0 0 246.314 2.695 50 0 BFAARN Nc1cccnc1Nc1ccc(F)cc1 ZINC000020317535 181759935 /nfs/dbraw/zinc/75/99/35/181759935.db2.gz KANSXBGVFUJMTJ-UHFFFAOYSA-N 0 0 203.220 2.547 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@@H]2c2ccco2)no1 ZINC000021791220 371495420 /nfs/dbraw/zinc/49/54/20/371495420.db2.gz RIXNKGQZFUPLLV-LLVKDONJSA-N 0 0 246.266 2.553 50 0 BFAARN Nc1nc(-c2ccc(N3CCCC3)cc2)cs1 ZINC000008729907 181776134 /nfs/dbraw/zinc/77/61/34/181776134.db2.gz LAAAYLCXBDADNM-UHFFFAOYSA-N 0 0 245.351 2.993 50 0 BFAARN Nc1nc(-c2ccccc2C(F)(F)F)ns1 ZINC000036753335 181777787 /nfs/dbraw/zinc/77/77/87/181777787.db2.gz RHTNXMWAXRDMFC-UHFFFAOYSA-N 0 0 245.229 2.806 50 0 BFAARN CCc1cnc(NCC2(C)CCOCC2)s1 ZINC000162137747 371613732 /nfs/dbraw/zinc/61/37/32/371613732.db2.gz FBXQQWJSKVOGJO-UHFFFAOYSA-N 0 0 240.372 2.934 50 0 BFAARN Nc1ncc(C(F)(F)F)cc1C(F)(F)F ZINC000020432167 181797047 /nfs/dbraw/zinc/79/70/47/181797047.db2.gz LNCBHXDODPHVED-UHFFFAOYSA-N 0 0 230.111 2.701 50 0 BFAARN Cc1cnc(NC(=O)c2cccs2)s1 ZINC000003164317 371896832 /nfs/dbraw/zinc/89/68/32/371896832.db2.gz JDJXKXFGRRAOOV-UHFFFAOYSA-N 0 0 224.310 2.765 50 0 BFAARN COCCC1(CNc2nc3ccccc3[nH]2)CC1 ZINC000230484966 371918306 /nfs/dbraw/zinc/91/83/06/371918306.db2.gz XUJUBRVBHQXHST-UHFFFAOYSA-N 0 0 245.326 2.792 50 0 BFAARN c1coc(CSCc2cn3cccnc3n2)c1 ZINC000003242448 371927001 /nfs/dbraw/zinc/92/70/01/371927001.db2.gz IXSXGQYKFGAUOB-UHFFFAOYSA-N 0 0 245.307 2.756 50 0 BFAARN CCCCCNC(=O)Cc1cccs1 ZINC000003329149 371957733 /nfs/dbraw/zinc/95/77/33/371957733.db2.gz NYPYPXOKKRQDJI-UHFFFAOYSA-N 0 0 211.330 2.597 50 0 BFAARN Cc1ccc(F)cc1NC(=O)c1ccccn1 ZINC000003447023 371995395 /nfs/dbraw/zinc/99/53/95/371995395.db2.gz AWKHPGKJGTXKAZ-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN O=C(CC1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000003462148 372000310 /nfs/dbraw/zinc/00/03/10/372000310.db2.gz UVUDOZYPJGZVOE-UHFFFAOYSA-N 0 0 247.294 2.934 50 0 BFAARN CC[C@H]1CCCCN1CC(=O)c1ccco1 ZINC000003306537 371949345 /nfs/dbraw/zinc/94/93/45/371949345.db2.gz ASOMUWUGRDAENK-NSHDSACASA-N 0 0 221.300 2.727 50 0 BFAARN O=C(/C=C\c1ccccc1F)Nc1nccs1 ZINC000033476509 181849476 /nfs/dbraw/zinc/84/94/76/181849476.db2.gz LXZRJJLCGGGIOM-WAYWQWQTSA-N 0 0 248.282 2.934 50 0 BFAARN CCCCC[C@@H]1C[C@@H](O)C=C(C)[C@@H]1C(=O)OC ZINC000003995540 372110084 /nfs/dbraw/zinc/11/00/84/372110084.db2.gz WQGFGVARUZYEFH-AGIUHOORSA-N 0 0 240.343 2.683 50 0 biogenic BFAARN CCCCC[C@H]1[C@@H](CC(=O)OC)CC[C@@H]1O ZINC000004025425 372119290 /nfs/dbraw/zinc/11/92/90/372119290.db2.gz DZWZEZICFCEJOT-WOPDTQHZSA-N 0 0 228.332 2.517 50 0 biogenic BFAARN Cn1cc(C(=O)NC2CCCC2)c2ccccc21 ZINC000008076326 372309774 /nfs/dbraw/zinc/30/97/74/372309774.db2.gz DBFDIXNZOKVDBT-UHFFFAOYSA-N 0 0 242.322 2.851 50 0 BFAARN O=C(CCC1CCCC1)NCc1ccco1 ZINC000000505434 181906436 /nfs/dbraw/zinc/90/64/36/181906436.db2.gz OUJPBEXJQCRIDD-UHFFFAOYSA-N 0 0 221.300 2.866 50 0 BFAARN Cc1occc1NC(=O)Nc1ccccc1CO ZINC000008133024 372399601 /nfs/dbraw/zinc/39/96/01/372399601.db2.gz DJPJUHBXGDYYRS-UHFFFAOYSA-N 0 0 246.266 2.724 50 0 BFAARN O=C(CCc1cccnc1)Nc1ccccc1F ZINC000008071661 181933440 /nfs/dbraw/zinc/93/34/40/181933440.db2.gz USBNYJXWSQKYCF-UHFFFAOYSA-N 0 0 244.269 2.792 50 0 BFAARN O=C(CSC(F)(F)F)NC1CCCCC1 ZINC000040088753 182005554 /nfs/dbraw/zinc/00/55/54/182005554.db2.gz ZKJHBHOAGDWCNV-UHFFFAOYSA-N 0 0 241.278 2.688 50 0 BFAARN COc1c(N)ccnc1-c1cccc(F)c1F ZINC000426668928 372868148 /nfs/dbraw/zinc/86/81/48/372868148.db2.gz BBZNGWNDPONGMM-UHFFFAOYSA-N 0 0 236.221 2.618 50 0 BFAARN O=C(COc1ccc(F)cc1)Nc1ccccc1 ZINC000004870271 182000135 /nfs/dbraw/zinc/00/01/35/182000135.db2.gz KKDITUMUIJSUCV-UHFFFAOYSA-N 0 0 245.253 2.843 50 0 BFAARN O=C(COc1ccc(F)cc1)Oc1ccccc1 ZINC000000458912 182000276 /nfs/dbraw/zinc/00/02/76/182000276.db2.gz HQCXBABQKYZWSH-UHFFFAOYSA-N 0 0 246.237 2.810 50 0 BFAARN O=C(COc1ccccc1)N1CCCCCCC1 ZINC000006728652 182001178 /nfs/dbraw/zinc/00/11/78/182001178.db2.gz BIJUSLNHJLONEF-UHFFFAOYSA-N 0 0 247.338 2.858 50 0 BFAARN O=C(C[C@@H]1C=CCC1)NCCc1ccccc1F ZINC000032739420 182013256 /nfs/dbraw/zinc/01/32/56/182013256.db2.gz FAVBNXJMUFXOFM-GFCCVEGCSA-N 0 0 247.313 2.841 50 0 BFAARN O=C(Cc1ccc(Cl)cc1)N1CCCCC1 ZINC000006221427 182034506 /nfs/dbraw/zinc/03/45/06/182034506.db2.gz NHKLTVNILDIDPE-UHFFFAOYSA-N 0 0 237.730 2.895 50 0 BFAARN O=C(Cc1ccc(F)cc1)NCc1ccccc1 ZINC000001188915 182036164 /nfs/dbraw/zinc/03/61/64/182036164.db2.gz LXHALSDXZHCCJX-UHFFFAOYSA-N 0 0 243.281 2.685 50 0 BFAARN CCCCN1C[C@H](COc2ccccc2)OC1=O ZINC000002476477 168835415 /nfs/dbraw/zinc/83/54/15/168835415.db2.gz CUUAATUGSCNRFP-CYBMUJFWSA-N 0 0 249.310 2.686 50 0 BFAARN O=C(Cc1ccccc1)Oc1ccccc1 ZINC000000396110 182043699 /nfs/dbraw/zinc/04/36/99/182043699.db2.gz USVNNHYNCCJCCP-UHFFFAOYSA-N 0 0 212.248 2.835 50 0 BFAARN O=C(Cc1ccccc1)Nc1ncccc1Cl ZINC000000484463 182043811 /nfs/dbraw/zinc/04/38/11/182043811.db2.gz PAYSWQUYCSMMNI-UHFFFAOYSA-N 0 0 246.697 2.916 50 0 BFAARN CCCCNC(=O)/C=C/c1cccs1 ZINC000002086458 168837172 /nfs/dbraw/zinc/83/71/72/168837172.db2.gz FWQLZCXKTDCPQU-VOTSOKGWSA-N 0 0 209.314 2.678 50 0 BFAARN O=C(Cc1cccs1)NCc1ccsc1 ZINC000013698101 182052991 /nfs/dbraw/zinc/05/29/91/182052991.db2.gz MDAKYRKXSLLKOX-UHFFFAOYSA-N 0 0 237.349 2.669 50 0 BFAARN O=C(Cc1cccs1)Nc1ccccc1 ZINC000000272345 182053359 /nfs/dbraw/zinc/05/33/59/182053359.db2.gz OZAZJRGTYBNVMJ-UHFFFAOYSA-N 0 0 217.293 2.929 50 0 BFAARN Cc1occc1C(=O)N(C)Cc1ccsc1 ZINC000039981880 373079690 /nfs/dbraw/zinc/07/96/90/373079690.db2.gz UPJIZGGFKGQXEJ-UHFFFAOYSA-N 0 0 235.308 2.922 50 0 BFAARN CCCn1ccnc1SCc1cc(C)no1 ZINC000040009958 373086969 /nfs/dbraw/zinc/08/69/69/373086969.db2.gz XTPHYRXZYOIPPX-UHFFFAOYSA-N 0 0 237.328 2.882 50 0 BFAARN CN(Cc1ccsc1)C(=O)c1ccoc1 ZINC000040012979 373089521 /nfs/dbraw/zinc/08/95/21/373089521.db2.gz JKLOPXVEYKIPNY-UHFFFAOYSA-N 0 0 221.281 2.613 50 0 BFAARN Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2C)o1 ZINC000030796394 205462616 /nfs/dbraw/zinc/46/26/16/205462616.db2.gz IBVUMWQUOBVUBT-NSHDSACASA-N 0 0 244.294 2.607 50 0 BFAARN S=C1N=NC(c2ccc3ccccc3n2)O1 ZINC000002433090 205457399 /nfs/dbraw/zinc/45/73/99/205457399.db2.gz SZMKYZQJVSWESI-UHFFFAOYSA-N 0 0 229.264 2.574 50 0 BFAARN CSc1nnc(-c2ccco2)n1CC(C)C ZINC000040456786 373277357 /nfs/dbraw/zinc/27/73/57/373277357.db2.gz VBFIHXFJECTNHX-UHFFFAOYSA-N 0 0 237.328 2.916 50 0 BFAARN O=C(NC1CC1)N(CC1CC1)C1CCCCC1 ZINC000069222290 182095836 /nfs/dbraw/zinc/09/58/36/182095836.db2.gz PIAQIEDTADBSID-UHFFFAOYSA-N 0 0 236.359 2.903 50 0 BFAARN O=C(NC1CC1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000079349186 182096028 /nfs/dbraw/zinc/09/60/28/182096028.db2.gz VCCJCRRYDROCDU-AWEZNQCLSA-N 0 0 234.343 2.681 50 0 BFAARN O=C(NC1CCCC1)c1ccc(F)cc1F ZINC000023119851 182111181 /nfs/dbraw/zinc/11/11/81/182111181.db2.gz PDRAZQRYDMHDTO-UHFFFAOYSA-N 0 0 225.238 2.637 50 0 BFAARN O=C(NC1CCCC1)c1ccc(Cl)o1 ZINC000012953605 182111507 /nfs/dbraw/zinc/11/15/07/182111507.db2.gz VZSMLZSLBBDQPT-UHFFFAOYSA-N 0 0 213.664 2.605 50 0 BFAARN O=C(NC1CCCCC1)c1c[nH]c2ncccc12 ZINC000097938478 182112346 /nfs/dbraw/zinc/11/23/46/182112346.db2.gz CHXXCDWJEHYDEY-UHFFFAOYSA-N 0 0 243.310 2.625 50 0 BFAARN O=C(NC1CCCCC1)c1ccc(Cl)o1 ZINC000032726889 182113061 /nfs/dbraw/zinc/11/30/61/182113061.db2.gz YVLXZJUULFCFJF-UHFFFAOYSA-N 0 0 227.691 2.996 50 0 BFAARN O=C(NC1CCCCCC1)c1ccco1 ZINC000000037606 182114110 /nfs/dbraw/zinc/11/41/10/182114110.db2.gz LRNVCPIPFWXJNU-UHFFFAOYSA-N 0 0 207.273 2.732 50 0 BFAARN O=C(NC1CCCCC1)c1noc2c1CCCC2 ZINC000000426315 182114199 /nfs/dbraw/zinc/11/41/99/182114199.db2.gz YSZABPVJMGGLLD-UHFFFAOYSA-N 0 0 248.326 2.616 50 0 BFAARN O=C(NC1CCCCC1)c1cccc(F)c1 ZINC000000572830 182114475 /nfs/dbraw/zinc/11/44/75/182114475.db2.gz NXPPOGYXWKNMKS-UHFFFAOYSA-N 0 0 221.275 2.888 50 0 BFAARN O=C(NC1CCCC1)C1(c2ccccc2)CC1 ZINC000023239184 182108770 /nfs/dbraw/zinc/10/87/70/182108770.db2.gz XNSZKEQXXIMOFE-UHFFFAOYSA-N 0 0 229.323 2.777 50 0 BFAARN O=C(NC1CCCCCCC1)c1cccnc1 ZINC000000198811 182116139 /nfs/dbraw/zinc/11/61/39/182116139.db2.gz ORFDJENNCFHCQO-UHFFFAOYSA-N 0 0 232.327 2.924 50 0 BFAARN CCCCCC(=O)Nc1n[nH]c(-c2ccoc2)n1 ZINC000040556402 373496810 /nfs/dbraw/zinc/49/68/10/373496810.db2.gz GQKXJXLSNPZRPN-UHFFFAOYSA-N 0 0 248.286 2.584 50 0 BFAARN O=C(NCC1CC1)c1cc(-c2cccs2)on1 ZINC000022972110 182140842 /nfs/dbraw/zinc/14/08/42/182140842.db2.gz BKLYCLVSEIONCA-UHFFFAOYSA-N 0 0 248.307 2.543 50 0 BFAARN O=C(NCCC1=CCCCC1)c1cccnc1 ZINC000006333724 182153159 /nfs/dbraw/zinc/15/31/59/182153159.db2.gz XYEQHQRJALAOJY-UHFFFAOYSA-N 0 0 230.311 2.702 50 0 BFAARN O=C(NCCCc1ccccc1)C1CCC1 ZINC000013328600 182175914 /nfs/dbraw/zinc/17/59/14/182175914.db2.gz IPFVIEYRKNDOIU-UHFFFAOYSA-N 0 0 217.312 2.536 50 0 BFAARN CCCCNC(=O)NCc1ccc(Cl)cc1 ZINC000002640204 168851711 /nfs/dbraw/zinc/85/17/11/168851711.db2.gz LCXDPQWZKSIOLX-UHFFFAOYSA-N 0 0 240.734 2.939 50 0 BFAARN O=C(NCCc1ccc(F)cc1)c1cccs1 ZINC000000073811 182203366 /nfs/dbraw/zinc/20/33/66/182203366.db2.gz BXAAUOBCGBLGIW-UHFFFAOYSA-N 0 0 249.310 2.860 50 0 BFAARN O=C(NCCc1ccccc1)NC1CCCCC1 ZINC000000182146 182204377 /nfs/dbraw/zinc/20/43/77/182204377.db2.gz YJAMPQZPTKVFIU-UHFFFAOYSA-N 0 0 246.354 2.861 50 0 in-vivo BFAARN O=C(NCCc1ccccc1)c1ccccc1F ZINC000000029741 182204779 /nfs/dbraw/zinc/20/47/79/182204779.db2.gz NKLQTEVEGVFUQY-UHFFFAOYSA-N 0 0 243.281 2.798 50 0 biogenic BFAARN O=C(NCCc1ccccc1)c1cccs1 ZINC000000139400 182205066 /nfs/dbraw/zinc/20/50/66/182205066.db2.gz SVHHJXHDSWNWNG-UHFFFAOYSA-N 0 0 231.320 2.721 50 0 BFAARN O=C(NCCc1cccs1)c1ccccc1F ZINC000000100675 182208867 /nfs/dbraw/zinc/20/88/67/182208867.db2.gz UQRVXFCPHVKWAS-UHFFFAOYSA-N 0 0 249.310 2.860 50 0 BFAARN Cc1ccc(N)cc1C(=O)NCc1ccccc1 ZINC000041031748 374093841 /nfs/dbraw/zinc/09/38/41/374093841.db2.gz HPPXOQHKLFNFNK-UHFFFAOYSA-N 0 0 240.306 2.507 50 0 BFAARN CC(C)Cc1nc2sc3c(c2c(=O)o1)CCC3 ZINC000009452224 374133236 /nfs/dbraw/zinc/13/32/36/374133236.db2.gz RYTQJHFOTPEJIN-UHFFFAOYSA-N 0 0 249.335 2.937 50 0 BFAARN O=c1[nH]c(NC2CCCCC2)nc2ccccc21 ZINC000041600089 374151426 /nfs/dbraw/zinc/15/14/26/374151426.db2.gz IQZOWJQOCNCUAC-UHFFFAOYSA-N 0 0 243.310 2.668 50 0 BFAARN C[C@H](CCc1ccco1)NC(=O)C(C)(C)C ZINC000041975478 374232070 /nfs/dbraw/zinc/23/20/70/374232070.db2.gz IEUPTQOUZDHELO-SNVBAGLBSA-N 0 0 223.316 2.763 50 0 BFAARN CC[C@@H](C)C(=O)N[C@@H](C)CCc1ccco1 ZINC000041975736 374232076 /nfs/dbraw/zinc/23/20/76/374232076.db2.gz VSSCUFZFKBMHMI-MNOVXSKESA-N 0 0 223.316 2.763 50 0 BFAARN O=C(NCc1ccc(Cl)s1)c1ccco1 ZINC000025521306 182249727 /nfs/dbraw/zinc/24/97/27/182249727.db2.gz OAQFQNUCYNZUTG-UHFFFAOYSA-N 0 0 241.699 2.925 50 0 BFAARN O=C(NCc1ccc(F)cc1)c1ccccc1F ZINC000003093735 182250402 /nfs/dbraw/zinc/25/04/02/182250402.db2.gz XKOVNSLYFYYKJD-UHFFFAOYSA-N 0 0 247.244 2.895 50 0 BFAARN O=C(NCc1ccc(F)cc1)[C@H]1CC=CCC1 ZINC000009335591 182250786 /nfs/dbraw/zinc/25/07/86/182250786.db2.gz ZFVADNVABPQYOS-LBPRGKRZSA-N 0 0 233.286 2.798 50 0 BFAARN O=C(NCc1cccs1)NC1CCCCC1 ZINC000000413832 182263167 /nfs/dbraw/zinc/26/31/67/182263167.db2.gz QYELXWQLPRTPCN-UHFFFAOYSA-N 0 0 238.356 2.880 50 0 BFAARN CC(=O)N[C@@H](C)c1ccccc1Br ZINC000042162892 374252560 /nfs/dbraw/zinc/25/25/60/374252560.db2.gz VZHBWZBVAVLOLV-ZETCQYMHSA-N 0 0 242.116 2.646 50 0 BFAARN C=Cn1c2ccccc2nc1[C@@H](O)C(F)(F)F ZINC000009913696 374257950 /nfs/dbraw/zinc/25/79/50/374257950.db2.gz LSCIGCGCZXCZBR-SECBINFHSA-N 0 0 242.200 2.733 50 0 BFAARN CC(C)c1noc(CN2CCCCCCC2)n1 ZINC000042289278 374258415 /nfs/dbraw/zinc/25/84/15/374258415.db2.gz PSNHJAXFMAIVIO-UHFFFAOYSA-N 0 0 237.347 2.959 50 0 BFAARN CCN(Cc1ccco1)C(=O)Nc1cccnc1 ZINC000042310420 374260799 /nfs/dbraw/zinc/26/07/99/374260799.db2.gz SLFUTLVXFSFVHL-UHFFFAOYSA-N 0 0 245.282 2.729 50 0 BFAARN C/C=C/C=C/C(=O)Nc1cccc(C(=O)OC)c1 ZINC000009950799 374261997 /nfs/dbraw/zinc/26/19/97/374261997.db2.gz AGXPFIDQRQRMER-PRKJJMSOSA-N 0 0 245.278 2.544 50 0 BFAARN O=C(NCc1ccccc1)c1c(F)cccc1F ZINC000005557812 182256668 /nfs/dbraw/zinc/25/66/68/182256668.db2.gz LYKBBSBASKSGFI-UHFFFAOYSA-N 0 0 247.244 2.895 50 0 BFAARN C[C@@H](Cc1ccco1)NC(=O)c1cccs1 ZINC000042381748 374267770 /nfs/dbraw/zinc/26/77/70/374267770.db2.gz JOTZZRNPPVMUSY-VIFPVBQESA-N 0 0 235.308 2.702 50 0 BFAARN O=C(NCc1ccccc1F)c1ccc(F)cc1 ZINC000005630759 182258079 /nfs/dbraw/zinc/25/80/79/182258079.db2.gz HEKFPPCPRPOCFQ-UHFFFAOYSA-N 0 0 247.244 2.895 50 0 BFAARN CS[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000042814826 374291442 /nfs/dbraw/zinc/29/14/42/374291442.db2.gz FSNKRZAOVXADMR-QMMMGPOBSA-N 0 0 227.304 2.824 50 0 BFAARN O=C(NCc1ccsc1)C1CCCCC1 ZINC000013698095 182268509 /nfs/dbraw/zinc/26/85/09/182268509.db2.gz XOHANNHXNRUVHW-UHFFFAOYSA-N 0 0 223.341 2.945 50 0 BFAARN CCc1nc(-c2ccc([C@H](C)OC)cc2)nn1C ZINC000426429072 206052827 /nfs/dbraw/zinc/05/28/27/206052827.db2.gz ZHMSCOPWPBGXGH-JTQLQIEISA-N 0 0 245.326 2.752 50 0 BFAARN O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1ccccc1 ZINC000001172583 182343953 /nfs/dbraw/zinc/34/39/53/182343953.db2.gz OMKJOVVKLPKENU-WXHSDQCUSA-N 0 0 215.296 2.605 50 0 BFAARN O=C(N[C@H]1CCCc2ccccc21)C1CCC1 ZINC000003560055 182334224 /nfs/dbraw/zinc/33/42/24/182334224.db2.gz QRSYQUNEXRKMQV-AWEZNQCLSA-N 0 0 229.323 2.980 50 0 BFAARN CCCCNC(=S)Nc1ccc2c[nH]nc2c1 ZINC000008686175 168864979 /nfs/dbraw/zinc/86/49/79/168864979.db2.gz DSBZOUZBEMMXKG-UHFFFAOYSA-N 0 0 248.355 2.649 50 0 BFAARN O=C(Nc1ccc(=S)[nH]n1)c1ccccc1F ZINC000061966010 182352565 /nfs/dbraw/zinc/35/25/65/182352565.db2.gz KBEDMRPQDBLYNM-UHFFFAOYSA-N 0 0 249.270 2.531 50 0 BFAARN O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCO1 ZINC000006321137 182354137 /nfs/dbraw/zinc/35/41/37/182354137.db2.gz UAHCXMMEQZCSHC-SNVBAGLBSA-N 0 0 243.665 2.597 50 0 BFAARN O=C(Nc1ccc(F)cc1)OCc1cccnc1 ZINC000000398594 182355103 /nfs/dbraw/zinc/35/51/03/182355103.db2.gz BIUXOONTTYTLOU-UHFFFAOYSA-N 0 0 246.241 2.969 50 0 BFAARN O=C(Nc1cccc(Br)c1)C1CC1 ZINC000000398357 182367178 /nfs/dbraw/zinc/36/71/78/182367178.db2.gz XOJAPHKOMSHQEI-UHFFFAOYSA-N 0 0 240.100 2.798 50 0 BFAARN O=C(Nc1ccc(O)c(Cl)c1)C(F)(F)F ZINC000097060417 182359530 /nfs/dbraw/zinc/35/95/30/182359530.db2.gz PLCCFUBYVLUWPI-UHFFFAOYSA-N 0 0 239.580 2.546 50 0 BFAARN O=C(Nc1ccc(O)cc1)[C@H]1CC=CCC1 ZINC000000351684 182360141 /nfs/dbraw/zinc/36/01/41/182360141.db2.gz CYGUEFBLPFEAOS-JTQLQIEISA-N 0 0 217.268 2.687 50 0 aggregator BFAARN O=C(Nc1cccc(Cl)c1)NC1CC1 ZINC000000355882 182368592 /nfs/dbraw/zinc/36/85/92/182368592.db2.gz NCKKCXGGQIAKHO-UHFFFAOYSA-N 0 0 210.664 2.624 50 0 BFAARN O=C(Nc1cccc(Cl)c1)C1CCOCC1 ZINC000025131978 182368595 /nfs/dbraw/zinc/36/85/95/182368595.db2.gz MJNFNIRYPHOJIV-UHFFFAOYSA-N 0 0 239.702 2.705 50 0 BFAARN O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CC=CCC1 ZINC000031343238 182364034 /nfs/dbraw/zinc/36/40/34/182364034.db2.gz RFYGAKFAJWMNKE-LLVKDONJSA-N 0 0 243.306 2.916 50 0 BFAARN O=C(Nc1cccc2c[nH]nc21)c1ccccc1 ZINC000039551560 182374740 /nfs/dbraw/zinc/37/47/40/182374740.db2.gz FZJOQLWVHCOVSE-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 BFAARN O=C(Nc1ccccc1F)c1ccc(O)cc1 ZINC000000059354 182378995 /nfs/dbraw/zinc/37/89/95/182378995.db2.gz JAWPELZTSRQBPQ-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1ccccc1CO)c1ccc(F)cc1 ZINC000000446480 182378146 /nfs/dbraw/zinc/37/81/46/182378146.db2.gz NKDIYTVCXAIBCV-UHFFFAOYSA-N 0 0 245.253 2.570 50 0 BFAARN O=C(Nc1ccccc1CO)c1ccccc1F ZINC000002870234 182378411 /nfs/dbraw/zinc/37/84/11/182378411.db2.gz VZFTZURIHIWZNF-UHFFFAOYSA-N 0 0 245.253 2.570 50 0 BFAARN O=C(Nc1ccccc1Cl)C1CCOCC1 ZINC000025130662 182378604 /nfs/dbraw/zinc/37/86/04/182378604.db2.gz XIZKQFSRTCVKOW-UHFFFAOYSA-N 0 0 239.702 2.705 50 0 BFAARN O=C(Nc1ccccc1Cl)c1cccnc1 ZINC000000029539 182379351 /nfs/dbraw/zinc/37/93/51/182379351.db2.gz HWBPWTZNDRKRHZ-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1cccc(F)c1)OCC(F)(F)F ZINC000002172816 182370108 /nfs/dbraw/zinc/37/01/08/182370108.db2.gz KYNKUHNOWOICID-UHFFFAOYSA-N 0 0 237.152 2.937 50 0 BFAARN O=C(Nc1cccc(O)c1)c1cccs1 ZINC000000139382 182372442 /nfs/dbraw/zinc/37/24/42/182372442.db2.gz KMQXHRCPJAMIKP-UHFFFAOYSA-N 0 0 219.265 2.706 50 0 BFAARN O=C(Nc1ccccn1)Oc1ccccc1 ZINC000013236133 182381339 /nfs/dbraw/zinc/38/13/39/182381339.db2.gz IDQIVMAVPVTKGL-UHFFFAOYSA-N 0 0 214.224 2.693 50 0 BFAARN O=C(Nc1ccccn1)c1cccc(Cl)c1 ZINC000000349304 182383246 /nfs/dbraw/zinc/38/32/46/182383246.db2.gz AKAYBXSRQYUJHF-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1cccnc1)c1cccc(Cl)c1 ZINC000000029721 182385069 /nfs/dbraw/zinc/38/50/69/182385069.db2.gz ZGARRZAZQCZDIE-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1ccncc1)c1cc(F)ccc1F ZINC000009379372 182386061 /nfs/dbraw/zinc/38/60/61/182386061.db2.gz BIFODCHDEVOHTI-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1ccncc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000461487 182386461 /nfs/dbraw/zinc/38/64/61/182386461.db2.gz NOMFGVQIYPJHNJ-ZIAGYGMSSA-N 0 0 238.290 2.824 50 0 BFAARN O=C(Nc1ccncc1)[C@H]1CC12CCCC2 ZINC000019112829 182386938 /nfs/dbraw/zinc/38/69/38/182386938.db2.gz CQOLSSNIVQBXQF-LLVKDONJSA-N 0 0 216.284 2.600 50 0 BFAARN O=C(Nc1nc(-c2ccncc2)cs1)C1CC1 ZINC000006423482 182396809 /nfs/dbraw/zinc/39/68/09/182396809.db2.gz SONONACZILICNN-UHFFFAOYSA-N 0 0 245.307 2.554 50 0 BFAARN O=C([O-])C[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000021948240 182476394 /nfs/dbraw/zinc/47/63/94/182476394.db2.gz CIEWZKIVDCBVMH-ZDUSSCGKSA-N 0 0 233.311 2.688 50 0 BFAARN CCOC(=O)CCCCC(=O)C1CCCC1 ZINC000002379030 170198581 /nfs/dbraw/zinc/19/85/81/170198581.db2.gz WWWRFKNQUGHBIX-UHFFFAOYSA-N 0 0 226.316 2.869 50 0 BFAARN O=C([O-])c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000000201756 182566974 /nfs/dbraw/zinc/56/69/74/182566974.db2.gz UZLNNJSOWBCWTG-UHFFFAOYSA-N 0 0 233.311 2.761 50 0 BFAARN O=C(OCCCc1ccccc1)c1cccnc1 ZINC000032181093 182601999 /nfs/dbraw/zinc/60/19/99/182601999.db2.gz IJXNGPWCHMAWGL-UHFFFAOYSA-N 0 0 241.290 2.871 50 0 BFAARN O=C([C@H]1CCCO1)N1CCCCc2ccccc21 ZINC000089858396 182636647 /nfs/dbraw/zinc/63/66/47/182636647.db2.gz WNUXIUMPRITNLY-CQSZACIVSA-N 0 0 245.322 2.535 50 0 BFAARN O=C(c1cc(F)c(F)c(F)c1)C1CC1 ZINC000002514300 182649908 /nfs/dbraw/zinc/64/99/08/182649908.db2.gz OTZGKNDQZVPBAX-UHFFFAOYSA-N 0 0 200.159 2.697 50 0 BFAARN O=C(c1cc(F)cc(F)c1)c1ccccn1 ZINC000043210493 182650989 /nfs/dbraw/zinc/65/09/89/182650989.db2.gz OBWKIDDQSCZLQT-UHFFFAOYSA-N 0 0 219.190 2.591 50 0 BFAARN O=C(c1ccsc1)[C@H](O)c1ccsc1 ZINC000036439232 182695391 /nfs/dbraw/zinc/69/53/91/182695391.db2.gz SCZZSZQLTIZGQT-SECBINFHSA-N 0 0 224.306 2.726 50 0 BFAARN O=C1CS[C@@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000000099919 182771884 /nfs/dbraw/zinc/77/18/84/182771884.db2.gz BVOSQEUUTGDSKB-VIFPVBQESA-N 0 0 248.134 2.855 50 0 BFAARN O=C1CS[C@H](c2ccccc2F)N1C1CC1 ZINC000004218393 182772293 /nfs/dbraw/zinc/77/22/93/182772293.db2.gz MYVFNDBAEFQSQE-GFCCVEGCSA-N 0 0 237.299 2.562 50 0 BFAARN O=C1C[C@@H](c2cccc(Cl)c2)c2c[nH]nc2N1 ZINC000020723930 182777119 /nfs/dbraw/zinc/77/71/19/182777119.db2.gz YBWGRSCSCIAIJT-VIFPVBQESA-N 0 0 247.685 2.537 50 0 BFAARN O=C1N[C@@H](c2ccccc2)C12CCCCC2 ZINC000299805225 182819048 /nfs/dbraw/zinc/81/90/48/182819048.db2.gz DCABXSUPCDBEKV-LBPRGKRZSA-N 0 0 215.296 2.808 50 0 BFAARN O=C1Nc2ccccc2C[C@H]1c1ccccc1 ZINC000012505384 182824127 /nfs/dbraw/zinc/82/41/27/182824127.db2.gz WIGSEVPKWYDXGT-ZDUSSCGKSA-N 0 0 223.275 2.965 50 0 BFAARN O=Cc1c(F)ccc(F)c1Br ZINC000040571916 182860298 /nfs/dbraw/zinc/86/02/98/182860298.db2.gz PQXMBFZKKQNHBA-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN O=Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC000095704698 182863242 /nfs/dbraw/zinc/86/32/42/182863242.db2.gz QTIOVUAQKHXLJC-UHFFFAOYSA-N 0 0 210.101 2.796 50 0 BFAARN O=Cc1cccc(OCC(=O)c2ccccc2)c1 ZINC000019737374 182871443 /nfs/dbraw/zinc/87/14/43/182871443.db2.gz UOFLOJIBGLCVNN-UHFFFAOYSA-N 0 0 240.258 2.761 50 0 BFAARN O=S(=O)(Cc1ccccc1)c1ccccc1 ZINC000000163130 182890849 /nfs/dbraw/zinc/89/08/49/182890849.db2.gz FABCMLOTUSCWOR-UHFFFAOYSA-N 0 0 232.304 2.661 50 0 BFAARN CCCCSCC(=O)n1nc(C)cc1C ZINC000003612655 168929251 /nfs/dbraw/zinc/92/92/51/168929251.db2.gz OHEDMUNVGDOUQY-UHFFFAOYSA-N 0 0 226.345 2.673 50 0 BFAARN CCCCS(=O)(=O)Nc1ccccc1C ZINC000006706531 168927461 /nfs/dbraw/zinc/92/74/61/168927461.db2.gz ZOEQMWROVVAFAJ-UHFFFAOYSA-N 0 0 227.329 2.537 50 0 BFAARN CCCCS(=O)(=O)Nc1cccc(C)c1C ZINC000006706482 168928152 /nfs/dbraw/zinc/92/81/52/168928152.db2.gz KHNVAYIONMRBRT-UHFFFAOYSA-N 0 0 241.356 2.845 50 0 BFAARN CCCC[C@@H](C)C(=O)NCc1ccccc1CO ZINC000252499983 168939611 /nfs/dbraw/zinc/93/96/11/168939611.db2.gz SKZRWMKHPMHTEH-GFCCVEGCSA-N 0 0 249.354 2.621 50 0 BFAARN O=c1[nH]c2cc(Cl)ccc2n1-c1ccccc1 ZINC000004400692 182973590 /nfs/dbraw/zinc/97/35/90/182973590.db2.gz RMPWZHBFXOLXFG-UHFFFAOYSA-N 0 0 244.681 2.972 50 0 BFAARN O=c1c2ccsc2ncn1Cc1ccccc1 ZINC000008244270 182990712 /nfs/dbraw/zinc/99/07/12/182990712.db2.gz WFFPEUDEQRTWNC-UHFFFAOYSA-N 0 0 242.303 2.506 50 0 BFAARN O=c1ccc(F)cn1CCC1CCCC1 ZINC000195577581 183000119 /nfs/dbraw/zinc/00/01/19/183000119.db2.gz ZYAXUUMWSYRIGX-UHFFFAOYSA-N 0 0 209.264 2.568 50 0 BFAARN O=c1nc(-c2ccccc2O)oc2ccccc12 ZINC000039279020 183008287 /nfs/dbraw/zinc/00/82/87/183008287.db2.gz NSWIROGSZPXREF-UHFFFAOYSA-N 0 0 239.230 2.561 50 0 in-vitro BFAARN O=c1sc2ccccc2n1CN1CCCCC1 ZINC000019606767 183013176 /nfs/dbraw/zinc/01/31/76/183013176.db2.gz IGVRPBMDBXMSIN-UHFFFAOYSA-N 0 0 248.351 2.506 50 0 BFAARN O=C1NC2(CCCC2)Nc2ccccc21 ZINC000001004789 183024090 /nfs/dbraw/zinc/02/40/90/183024090.db2.gz BGYVTOPASJGSEB-UHFFFAOYSA-N 0 0 202.257 2.687 50 0 BFAARN O=C1NC(=S)SC1=Cc1ccc(O)cc1 ZINC000015933443 183024594 /nfs/dbraw/zinc/02/45/94/183024594.db2.gz RAYIDZVPIAJJPF-VMPITWQZSA-N 0 0 237.305 2.721 50 0 BFAARN O=C1CS[C@@H](c2ccccc2)c2c[nH]nc2N1 ZINC000020729308 183026281 /nfs/dbraw/zinc/02/62/81/183026281.db2.gz PITKWDAXRHLEFB-NSHDSACASA-N 0 0 245.307 2.834 50 0 BFAARN O=C1C[C@@H](c2ccsc2)c2c[nH]nc2N1 ZINC000020720247 183026284 /nfs/dbraw/zinc/02/62/84/183026284.db2.gz PAAWFJLZGAZDKF-ZETCQYMHSA-N 0 0 219.269 2.595 50 0 BFAARN OC[C@@H](c1ccccc1)c1ccccc1O ZINC000004824046 183114753 /nfs/dbraw/zinc/11/47/53/183114753.db2.gz MKKQQHGJBDZKPX-ZDUSSCGKSA-N 0 0 214.264 2.516 50 0 BFAARN OCCc1ccc(OCc2ccccc2)cc1 ZINC000002566174 183100691 /nfs/dbraw/zinc/10/06/91/183100691.db2.gz JCUJAHLWCDISCC-UHFFFAOYSA-N 0 0 228.291 2.800 50 0 in-vitro BFAARN CCCCc1ccc(CC(=O)OC)cc1 ZINC000038866936 169021375 /nfs/dbraw/zinc/02/13/75/169021375.db2.gz OGXWENQUBCGNFG-UHFFFAOYSA-N 0 0 206.285 2.745 50 0 BFAARN CCCCc1nc2ccccc2n1COC ZINC000013221403 169027962 /nfs/dbraw/zinc/02/79/62/169027962.db2.gz QCKBBUKUXFOPAU-UHFFFAOYSA-N 0 0 218.300 2.983 50 0 BFAARN CCCCc1nnc(NC(=O)CCC)s1 ZINC000004119309 169028721 /nfs/dbraw/zinc/02/87/21/169028721.db2.gz POOPBLOWNGQJIZ-UHFFFAOYSA-N 0 0 227.333 2.619 50 0 BFAARN CCCCc1nnc(NC(=O)C=C(C)C)s1 ZINC000001903561 169029276 /nfs/dbraw/zinc/02/92/76/169029276.db2.gz NDPRMAUCTWMQTM-UHFFFAOYSA-N 0 0 239.344 2.785 50 0 BFAARN OC[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000062720180 183129226 /nfs/dbraw/zinc/12/92/26/183129226.db2.gz HNPYNZPAPFEJFT-WCBMZHEXSA-N 0 0 227.101 2.545 50 0 BFAARN CCCCn1ccnc1-c1cccc(N)c1 ZINC000037471397 169036610 /nfs/dbraw/zinc/03/66/10/169036610.db2.gz LRHJJGOYWNDWNP-UHFFFAOYSA-N 0 0 215.300 2.932 50 0 BFAARN CCCCn1cnc2c3ccccc3[nH]c2c1=O ZINC000008672402 169037251 /nfs/dbraw/zinc/03/72/51/169037251.db2.gz ZGLKUSLXYSNJLK-UHFFFAOYSA-N 0 0 241.294 2.678 50 0 BFAARN CCCCn1nc(C(F)(F)F)cc1C=O ZINC000095495579 169037557 /nfs/dbraw/zinc/03/75/57/169037557.db2.gz GFMCLFJSIVQJCR-UHFFFAOYSA-N 0 0 220.194 2.515 50 0 BFAARN CCCCn1ncnc1CN(C)c1ccccc1 ZINC000092078270 169039727 /nfs/dbraw/zinc/03/97/27/169039727.db2.gz DNYHMCONWSWYBK-UHFFFAOYSA-N 0 0 244.342 2.715 50 0 BFAARN OCc1c2c(nc3ccc(Cl)cc31)CCC2 ZINC000082479850 183160139 /nfs/dbraw/zinc/16/01/39/183160139.db2.gz VGLOFMPNQDXXPB-UHFFFAOYSA-N 0 0 233.698 2.869 50 0 BFAARN OCc1cc(F)c(Cl)c(C(F)(F)F)c1 ZINC000096029423 183161276 /nfs/dbraw/zinc/16/12/76/183161276.db2.gz RHSFATZQDCRCMD-UHFFFAOYSA-N 0 0 228.572 2.990 50 0 BFAARN OCc1cc(Cl)cc(OC(F)(F)F)c1 ZINC000039712965 183161550 /nfs/dbraw/zinc/16/15/50/183161550.db2.gz PZHLQGDDGUWVKH-UHFFFAOYSA-N 0 0 226.581 2.731 50 0 BFAARN OCc1cc2ccccc2nc1NCC1CC1 ZINC000084594834 183162093 /nfs/dbraw/zinc/16/20/93/183162093.db2.gz QXDJMHLQPZEDJC-UHFFFAOYSA-N 0 0 228.295 2.549 50 0 BFAARN CCCN(C(=O)Nc1ccc(C)cn1)C1CC1 ZINC000096502462 169043277 /nfs/dbraw/zinc/04/32/77/169043277.db2.gz BTPFYQWVYFFTIA-UHFFFAOYSA-N 0 0 233.315 2.796 50 0 BFAARN OCc1ccc(OC(F)(F)F)cc1Cl ZINC000098096581 183166050 /nfs/dbraw/zinc/16/60/50/183166050.db2.gz YWLMKHWUAXCYKJ-UHFFFAOYSA-N 0 0 226.581 2.731 50 0 BFAARN OCc1cncc(-c2ccc(Cl)cc2)c1 ZINC000035630038 183169768 /nfs/dbraw/zinc/16/97/68/183169768.db2.gz ZNIWYVUMTWNLTO-UHFFFAOYSA-N 0 0 219.671 2.894 50 0 BFAARN O[C@@H]1CCC[C@@H]1Nc1ccc2ccccc2n1 ZINC000195575367 183195390 /nfs/dbraw/zinc/19/53/90/183195390.db2.gz IQAYUXVPACNULT-QWHCGFSZSA-N 0 0 228.295 2.560 50 0 BFAARN O[C@@H]1CCC[C@@H]1Nc1ccccc1Cl ZINC000037689905 183195446 /nfs/dbraw/zinc/19/54/46/183195446.db2.gz YXXTYANVBPPGJY-WDEREUQCSA-N 0 0 211.692 2.665 50 0 BFAARN CCOc1cc(Cl)ncc1Br ZINC000083337071 170522763 /nfs/dbraw/zinc/52/27/63/170522763.db2.gz LQKMQYWWXDYKCI-UHFFFAOYSA-N 0 0 236.496 2.896 50 0 BFAARN O[C@H](CSc1ccccc1)C(F)(F)F ZINC000005769691 183227877 /nfs/dbraw/zinc/22/78/77/183227877.db2.gz XCPXRBHWUYVMRH-MRVPVSSYSA-N 0 0 222.231 2.702 50 0 BFAARN O[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000038588521 183229603 /nfs/dbraw/zinc/22/96/03/183229603.db2.gz SDHDPMKOWGBAOY-CQSZACIVSA-N 0 0 224.263 2.645 50 0 BFAARN O[C@H](c1ccccc1)C(F)(F)Br ZINC000072265775 183229773 /nfs/dbraw/zinc/22/97/73/183229773.db2.gz NIHSGGJHKRBRNH-SSDOTTSWSA-N 0 0 237.043 2.708 50 0 BFAARN Oc1ccc(Br)cc1Cl ZINC000000064966 183266991 /nfs/dbraw/zinc/26/69/91/183266991.db2.gz VIBJPUXLAKVICD-UHFFFAOYSA-N 0 0 207.454 2.808 50 0 in-vitro BFAARN Oc1ccc(NC2Cc3ccccc3C2)cc1 ZINC000000009651 183274861 /nfs/dbraw/zinc/27/48/61/183274861.db2.gz CVVPWRFPKHOFEY-UHFFFAOYSA-N 0 0 225.291 2.972 50 0 BFAARN O=c1ccc(O)c2[nH]c(C(F)(F)F)ccc1-2 ZINC000091362334 183277043 /nfs/dbraw/zinc/27/70/43/183277043.db2.gz JOUKLKBSYSRSHA-UHFFFAOYSA-N 0 0 229.157 2.665 50 0 BFAARN Oc1ccc(OCc2ccccc2)nc1F ZINC000261493554 183277195 /nfs/dbraw/zinc/27/71/95/183277195.db2.gz DKVIGMSQACACCI-UHFFFAOYSA-N 0 0 219.215 2.505 50 0 BFAARN CCCN(CCC)C(=O)NC(=O)c1ccccc1 ZINC000001891121 169142669 /nfs/dbraw/zinc/14/26/69/169142669.db2.gz MHABHDZRZNQCLZ-UHFFFAOYSA-N 0 0 248.326 2.658 50 0 BFAARN Oc1cc(Cl)cc(Br)c1 ZINC000028278245 183259040 /nfs/dbraw/zinc/25/90/40/183259040.db2.gz GMGWXLPFRHYWAS-UHFFFAOYSA-N 0 0 207.454 2.808 50 0 BFAARN CCCN(CCC)C(=O)c1cn2ccccc2n1 ZINC000052931047 169146218 /nfs/dbraw/zinc/14/62/18/169146218.db2.gz HISRGJUSEZRPNO-UHFFFAOYSA-N 0 0 245.326 2.597 50 0 BFAARN Oc1cccc(CCc2cccc(O)c2)c1 ZINC000000392763 183287833 /nfs/dbraw/zinc/28/78/33/183287833.db2.gz VCFHBYUCPLPFMM-UHFFFAOYSA-N 0 0 214.264 2.883 50 0 BFAARN CCCN(CCC)c1nc2ccccc2[nH]c1=O ZINC000012504695 169153387 /nfs/dbraw/zinc/15/33/87/169153387.db2.gz CAQCNYSPSPSZGX-UHFFFAOYSA-N 0 0 245.326 2.962 50 0 BFAARN Oc1cccc(CNc2ccc3n[nH]cc3c2)c1 ZINC000005589049 183291649 /nfs/dbraw/zinc/29/16/49/183291649.db2.gz HPSRAFLOZPHEJR-UHFFFAOYSA-N 0 0 239.278 2.881 50 0 BFAARN Oc1ccccc1-c1nc(-c2cccs2)n[nH]1 ZINC000038675835 183299239 /nfs/dbraw/zinc/29/92/39/183299239.db2.gz MIFXOGKEOYSNOY-UHFFFAOYSA-N 0 0 243.291 2.906 50 0 BFAARN S=c1nc2ccccc2c(NC2CC2)[nH]1 ZINC000004219145 183315036 /nfs/dbraw/zinc/31/50/36/183315036.db2.gz NXCFCEPTDNAAQT-UHFFFAOYSA-N 0 0 217.297 2.867 50 0 BFAARN S=c1[nH]ccn1CCc1ccccc1 ZINC000005731413 183315058 /nfs/dbraw/zinc/31/50/58/183315058.db2.gz XBZXYFCIMSXPKA-UHFFFAOYSA-N 0 0 204.298 2.788 50 0 BFAARN S=c1nccc(N2CCCCCC2)[nH]1 ZINC000033268071 183315172 /nfs/dbraw/zinc/31/51/72/183315172.db2.gz BCHZZAFERVKQMK-UHFFFAOYSA-N 0 0 209.318 2.520 50 0 BFAARN S=c1nc(-c2ccc3c(c2)OCO3)cc[nH]1 ZINC000036626592 183315294 /nfs/dbraw/zinc/31/52/94/183315294.db2.gz NPHCOJHYHKQFHI-UHFFFAOYSA-N 0 0 232.264 2.535 50 0 BFAARN CCCN(c1ccc(C(C)=O)cn1)C1CC1 ZINC000124667246 169182824 /nfs/dbraw/zinc/18/28/24/169182824.db2.gz DQZCEILJOHEEHD-UHFFFAOYSA-N 0 0 218.300 2.663 50 0 BFAARN CCCN1C(=O)Cc2cc(Cl)ccc21 ZINC000071773863 169184690 /nfs/dbraw/zinc/18/46/90/169184690.db2.gz DMXXLWJBNJKKKP-UHFFFAOYSA-N 0 0 209.676 2.639 50 0 BFAARN [O-][n+]1cc2ccccc2c2ccsc21 ZINC000000334349 183318742 /nfs/dbraw/zinc/31/87/42/183318742.db2.gz LRECFHQWCWLVPM-UHFFFAOYSA-N 0 0 201.250 2.688 50 0 BFAARN [O-][n+]1cccc(Oc2ccccc2Cl)c1 ZINC000060238684 183319037 /nfs/dbraw/zinc/31/90/37/183319037.db2.gz WWWJDCQANDPHSB-UHFFFAOYSA-N 0 0 221.643 2.766 50 0 BFAARN [O-][n+]1onc(-c2ccccc2)c1-c1ccccc1 ZINC000002819563 183319228 /nfs/dbraw/zinc/31/92/28/183319228.db2.gz KDARYXSKPCAXJL-UHFFFAOYSA-N 0 0 238.246 2.642 50 0 BFAARN c1coc(-c2cccc(-n3cnnc3)c2)c1 ZINC000065536595 183329530 /nfs/dbraw/zinc/32/95/30/183329530.db2.gz IOTKOAADVSEZSB-UHFFFAOYSA-N 0 0 211.224 2.527 50 0 BFAARN c1cc(-c2nn3c(nnc3C3CC3)s2)cs1 ZINC000020733555 183331850 /nfs/dbraw/zinc/33/18/50/183331850.db2.gz SPOUIWZMTVPCRF-UHFFFAOYSA-N 0 0 248.336 2.792 50 0 BFAARN O=c1[nH]cnc2c3cc(Cl)ccc3oc21 ZINC000018324709 183309532 /nfs/dbraw/zinc/30/95/32/183309532.db2.gz QNZJDYVERIAXAI-UHFFFAOYSA-N 0 0 220.615 2.735 50 0 BFAARN S=C(Nc1ccc(Cl)cc1)NC1CC1 ZINC000000315331 183310924 /nfs/dbraw/zinc/31/09/24/183310924.db2.gz NYJQQZKMYIVVHZ-UHFFFAOYSA-N 0 0 226.732 2.789 50 0 BFAARN S=C(Nc1ccccc1)c1ccccn1 ZINC000004557220 183311476 /nfs/dbraw/zinc/31/14/76/183311476.db2.gz HOMILEBHBIPJEZ-UHFFFAOYSA-N 0 0 214.293 2.869 50 0 BFAARN S=C(NCc1cccnc1)Nc1ccccc1 ZINC000000312945 183311529 /nfs/dbraw/zinc/31/15/29/183311529.db2.gz QFHALJZCNJGTFQ-UHFFFAOYSA-N 0 0 243.335 2.568 50 0 BFAARN S=C(Nc1ccccc1)NC1CCCC1 ZINC000000146240 183311581 /nfs/dbraw/zinc/31/15/81/183311581.db2.gz LJVDCHOCLAEROU-UHFFFAOYSA-N 0 0 220.341 2.916 50 0 BFAARN S=C(NCc1ccccc1)NC1CCCC1 ZINC000000468272 183311779 /nfs/dbraw/zinc/31/17/79/183311779.db2.gz HPKUFPJUSNFYOB-UHFFFAOYSA-N 0 0 234.368 2.593 50 0 BFAARN CCCNC(=O)COc1ccccc1C(C)(C)C ZINC000008558834 169231635 /nfs/dbraw/zinc/23/16/35/169231635.db2.gz IGNURRGLQGEKPI-UHFFFAOYSA-N 0 0 249.354 2.889 50 0 BFAARN CCCNC(=O)CSCc1cccs1 ZINC000044514009 169232030 /nfs/dbraw/zinc/23/20/30/169232030.db2.gz KPWBCKUOEQZTTF-UHFFFAOYSA-N 0 0 229.370 2.508 50 0 BFAARN CCCNC(=O)CCc1ccc2c(ccn2C)c1 ZINC000064611261 169217778 /nfs/dbraw/zinc/21/77/78/169217778.db2.gz RLDQTLXUHKOWHX-UHFFFAOYSA-N 0 0 244.338 2.637 50 0 BFAARN c1ccc(-c2nsc(N3CCCC3)n2)cc1 ZINC000000074713 183385484 /nfs/dbraw/zinc/38/54/84/183385484.db2.gz SPOWNNNXWNHBDQ-UHFFFAOYSA-N 0 0 231.324 2.805 50 0 BFAARN c1cc2c3c(cccc3c1)-c1nc3nonc3nc1-2 ZINC000001508817 183374083 /nfs/dbraw/zinc/37/40/83/183374083.db2.gz JNPLXKYSOXVHAC-UHFFFAOYSA-N 0 0 246.229 2.813 50 0 BFAARN CCCNC(=O)Nc1cccc(C)c1C ZINC000002171494 169240311 /nfs/dbraw/zinc/24/03/11/169240311.db2.gz OTKCFXWASCIQOC-UHFFFAOYSA-N 0 0 206.289 2.835 50 0 BFAARN CCCNC(=O)Nc1ccc(OCC)cc1C ZINC000048142275 169240317 /nfs/dbraw/zinc/24/03/17/169240317.db2.gz OFEDOGZXAKZAKV-UHFFFAOYSA-N 0 0 236.315 2.925 50 0 BFAARN CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1C ZINC000008492888 169242655 /nfs/dbraw/zinc/24/26/55/169242655.db2.gz HOZWNKRLSWLFMJ-GFCCVEGCSA-N 0 0 235.327 2.597 50 0 BFAARN CCCNC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000013709892 169242716 /nfs/dbraw/zinc/24/27/16/169242716.db2.gz HJYWVOBXHYRJGC-SECBINFHSA-N 0 0 241.718 2.634 50 0 BFAARN c1ccc(-c2nc(-c3cccnc3)no2)cc1 ZINC000000042403 183381618 /nfs/dbraw/zinc/38/16/18/183381618.db2.gz MUWKXFLEESJMCT-UHFFFAOYSA-N 0 0 223.235 2.799 50 0 BFAARN c1nn(Cc2ccccn2)cc1-c1ccccc1 ZINC000098018804 183382121 /nfs/dbraw/zinc/38/21/21/183382121.db2.gz YNXGDKQURGXQEO-UHFFFAOYSA-N 0 0 235.290 2.993 50 0 BFAARN c1nn2c3c(cnc2c1-c1ccccc1)CCC3 ZINC000067630812 183382297 /nfs/dbraw/zinc/38/22/97/183382297.db2.gz SPQACWHCVLANPL-UHFFFAOYSA-N 0 0 235.290 2.885 50 0 BFAARN c1csc(-c2nc(-c3ccccn3)no2)c1 ZINC000000078566 183384604 /nfs/dbraw/zinc/38/46/04/183384604.db2.gz HTPIMDPZUZKGKN-UHFFFAOYSA-N 0 0 229.264 2.860 50 0 BFAARN CCCNC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000003907631 169249900 /nfs/dbraw/zinc/24/99/00/169249900.db2.gz UHEXNBZGNWSGRM-UHFFFAOYSA-N 0 0 248.257 2.621 50 0 BFAARN CCCNC(=O)c1cc(C)c(CC)s1 ZINC000039975932 169250507 /nfs/dbraw/zinc/25/05/07/169250507.db2.gz JUWCAAAZWIKCAZ-UHFFFAOYSA-N 0 0 211.330 2.759 50 0 BFAARN CCCNC(=O)c1ccc(OCC)c(C)c1 ZINC000013582189 169251400 /nfs/dbraw/zinc/25/14/00/169251400.db2.gz YZUPZDBRGCNYMQ-UHFFFAOYSA-N 0 0 221.300 2.534 50 0 BFAARN CCCNC(=O)c1ccc(Cl)cc1F ZINC000051202676 169251728 /nfs/dbraw/zinc/25/17/28/169251728.db2.gz PNYXFZVOYOFPTB-UHFFFAOYSA-N 0 0 215.655 2.619 50 0 BFAARN CCCNC(=O)c1ccc(Cl)s1 ZINC000033028729 169251868 /nfs/dbraw/zinc/25/18/68/169251868.db2.gz HGZNCKODYKCUMS-UHFFFAOYSA-N 0 0 203.694 2.541 50 0 BFAARN CCCNC(=O)c1cccc2ccccc21 ZINC000004144690 169252747 /nfs/dbraw/zinc/25/27/47/169252747.db2.gz CRXGWGIJJCBJLW-UHFFFAOYSA-N 0 0 213.280 2.980 50 0 BFAARN c1ccc(C2Cn3c4ccccc4nc3N=N2)cc1 ZINC000004729458 183388811 /nfs/dbraw/zinc/38/88/11/183388811.db2.gz CQUDGRPLVSTLBX-UHFFFAOYSA-N 0 0 248.289 2.866 50 0 BFAARN c1csc(NCCc2ccccc2)n1 ZINC000021054297 183395341 /nfs/dbraw/zinc/39/53/41/183395341.db2.gz JRFFAPQYMPSJBZ-UHFFFAOYSA-N 0 0 204.298 2.798 50 0 BFAARN c1coc(C2=NN(Cc3ccccc3)CC2)c1 ZINC000000172672 183396880 /nfs/dbraw/zinc/39/68/80/183396880.db2.gz RZQQSZYTDKSCCU-UHFFFAOYSA-N 0 0 226.279 2.890 50 0 BFAARN CCCOC(=O)Nc1cccc(C(C)=O)c1 ZINC000001800737 169298581 /nfs/dbraw/zinc/29/85/81/169298581.db2.gz DOGVLRXQNBYMHQ-UHFFFAOYSA-N 0 0 221.256 2.848 50 0 BFAARN c1ccc([C@@H]2CC(c3cccnc3)=NO2)cc1 ZINC000000064733 183425851 /nfs/dbraw/zinc/42/58/51/183425851.db2.gz SYCIBYJUPBHOCG-AWEZNQCLSA-N 0 0 224.263 2.947 50 0 BFAARN CCCOCc1nc(-c2cccs2)no1 ZINC000109460044 169310329 /nfs/dbraw/zinc/31/03/29/169310329.db2.gz LZOQCJCHOOCAAV-UHFFFAOYSA-N 0 0 224.285 2.725 50 0 BFAARN CCCOc1c(C=O)cc(Cl)cc1OC ZINC000002782489 169312880 /nfs/dbraw/zinc/31/28/80/169312880.db2.gz ZBGLATICPAWALQ-UHFFFAOYSA-N 0 0 228.675 2.950 50 0 BFAARN CCCOc1cc(OCC)ccc1C=O ZINC000005591294 169315511 /nfs/dbraw/zinc/31/55/11/169315511.db2.gz DWKVNHQESWPIAI-UHFFFAOYSA-N 0 0 208.257 2.687 50 0 BFAARN CCCOc1ccc(C2N=NC(=S)N2)cc1 ZINC000008828859 169316191 /nfs/dbraw/zinc/31/61/91/169316191.db2.gz ZWKUQWHFPHHISH-UHFFFAOYSA-N 0 0 235.312 2.549 50 0 BFAARN CCCOc1ccc(Br)c(C)n1 ZINC000065337530 169316260 /nfs/dbraw/zinc/31/62/60/169316260.db2.gz LUGOFOMTYGNWHQ-UHFFFAOYSA-N 0 0 230.105 2.941 50 0 BFAARN CCCNc1cc(Cl)ccc1C(=O)N(C)C ZINC000037123392 169293768 /nfs/dbraw/zinc/29/37/68/169293768.db2.gz OUEWIQRQZGXRGQ-UHFFFAOYSA-N 0 0 240.734 2.864 50 0 BFAARN CCCNc1ncnc2ccc(F)cc21 ZINC000041470853 169297142 /nfs/dbraw/zinc/29/71/42/169297142.db2.gz KSFRCNIECNUFLU-UHFFFAOYSA-N 0 0 205.236 2.591 50 0 BFAARN c1cc(CNc2nc3ccccc3s2)n[nH]1 ZINC000040436305 183462086 /nfs/dbraw/zinc/46/20/86/183462086.db2.gz ICKUIKQFJLTKAW-UHFFFAOYSA-N 0 0 230.296 2.632 50 0 BFAARN CCCOc1cccc(/C=C/[N+](=O)[O-])c1 ZINC000036665004 169324115 /nfs/dbraw/zinc/32/41/15/169324115.db2.gz VUMFMVXEUABQMF-VOTSOKGWSA-N 0 0 207.229 2.723 50 0 BFAARN c1ccc2c(c1)CCN2C[C@@H]1CCSC1 ZINC000225623867 183443364 /nfs/dbraw/zinc/44/33/64/183443364.db2.gz DBPGAYUBDKSULJ-NSHDSACASA-N 0 0 219.353 2.802 50 0 BFAARN c1cnc(N[C@@H]2CCOC3(CCCCC3)C2)cn1 ZINC000095970858 183483525 /nfs/dbraw/zinc/48/35/25/183483525.db2.gz SDJDMBHDEXNYNC-GFCCVEGCSA-N 0 0 247.342 2.770 50 0 BFAARN CCC[C@@H](C)C(=O)Nc1cnc2n1CCCC2 ZINC000067774935 169354264 /nfs/dbraw/zinc/35/42/64/169354264.db2.gz SDWGBWCWIPMRIM-SNVBAGLBSA-N 0 0 235.331 2.594 50 0 BFAARN CCC[C@@H](C)C[NH2+][C@@H](CC(C)C)C(=O)[O-] ZINC000043432821 169359812 /nfs/dbraw/zinc/35/98/12/169359812.db2.gz YWROCUZPDHDFNE-MNOVXSKESA-N 0 0 215.337 2.512 50 0 BFAARN CCC[C@@H](C)Nc1cnc2c(c1)c(C)nn2C ZINC000037084777 169372230 /nfs/dbraw/zinc/37/22/30/169372230.db2.gz QFQZLJNVDMKLNT-SECBINFHSA-N 0 0 232.331 2.877 50 0 BFAARN c1csc(-c2nccn2C[C@H]2CCOC2)c1 ZINC000096494604 183514005 /nfs/dbraw/zinc/51/40/05/183514005.db2.gz CWRFRIXNQMISOP-SNVBAGLBSA-N 0 0 234.324 2.648 50 0 BFAARN CCC[C@H](C)c1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1 ZINC000097637966 169495863 /nfs/dbraw/zinc/49/58/63/169495863.db2.gz LJMZYRCLAHNZLM-ZETCQYMHSA-N 0 0 244.298 2.636 50 0 BFAARN CC(C)(C)OC(=O)NCc1cccc(Cl)n1 ZINC000095930537 166663404 /nfs/dbraw/zinc/66/34/04/166663404.db2.gz BBSVDLXXIGIELL-UHFFFAOYSA-N 0 0 242.706 2.760 50 0 BFAARN CCC[C@]1(CC)NC(=O)N(c2cccc(C)c2)N1 ZINC000015867871 169555752 /nfs/dbraw/zinc/55/57/52/169555752.db2.gz ZXOCKHWZIJORHV-CQSZACIVSA-N 0 0 247.342 2.936 50 0 BFAARN Brc1cncc(N2CCCCC2)c1 ZINC000000331274 532978411 /nfs/dbraw/zinc/97/84/11/532978411.db2.gz PCCXEOYPUWBFGE-UHFFFAOYSA-N 0 0 241.132 2.834 50 0 BFAARN Cc1noc(C)c1C(=O)N(C)Cc1ccccc1 ZINC000000112042 383827359 /nfs/dbraw/zinc/82/73/59/383827359.db2.gz SALFCIOFEDMTBD-UHFFFAOYSA-N 0 0 244.294 2.564 50 0 BFAARN O=Cc1cc2c(cc1-c1cccs1)OCO2 ZINC000021950665 383821861 /nfs/dbraw/zinc/82/18/61/383821861.db2.gz KMBVLIUJDGQRLJ-UHFFFAOYSA-N 0 0 232.260 2.956 50 0 BFAARN Cn1nc(C(F)(F)F)c(-c2ccccc2)c1N ZINC000000110577 383827971 /nfs/dbraw/zinc/82/79/71/383827971.db2.gz KCCKFLAAEZFOPE-UHFFFAOYSA-N 0 0 241.216 2.688 50 0 BFAARN Cc1noc(C)c1C(=O)Oc1ccc(F)cc1 ZINC000000111987 383826314 /nfs/dbraw/zinc/82/63/14/383826314.db2.gz SOKHTAXXVSHMPT-UHFFFAOYSA-N 0 0 235.214 2.650 50 0 BFAARN C[C@H](NC(=O)c1ccccn1)c1ccccc1 ZINC000000097792 383826525 /nfs/dbraw/zinc/82/65/25/383826525.db2.gz HSECEQYULBGNJA-NSHDSACASA-N 0 0 226.279 2.573 50 0 BFAARN Cc1nc(-c2ccc(Br)s2)no1 ZINC000000158927 383835855 /nfs/dbraw/zinc/83/58/55/383835855.db2.gz ZNWQLJYQXULFQB-UHFFFAOYSA-N 0 0 245.101 2.869 50 0 BFAARN FC(F)(F)c1ccc(-n2ccnc2)cc1 ZINC000000162191 383836125 /nfs/dbraw/zinc/83/61/25/383836125.db2.gz FUJKJTAYTFLIDA-UHFFFAOYSA-N 0 0 212.174 2.891 50 0 BFAARN COC(=O)c1ccc(N2CCCC2)cc1Cl ZINC000000168125 383838464 /nfs/dbraw/zinc/83/84/64/383838464.db2.gz CSBLQYDWEPLAOP-UHFFFAOYSA-N 0 0 239.702 2.727 50 0 BFAARN O=C1NC[C@@H](c2ccccc2)Oc2ccccc21 ZINC000000173743 383839698 /nfs/dbraw/zinc/83/96/98/383839698.db2.gz UADLSBYXTMUWIV-AWEZNQCLSA-N 0 0 239.274 2.550 50 0 BFAARN C[C@@H]1S[C@H](c2cccc(Cl)c2)NC1=O ZINC000000208320 383845950 /nfs/dbraw/zinc/84/59/50/383845950.db2.gz DSDPWHIBVHAATJ-QUBYGPBYSA-N 0 0 227.716 2.590 50 0 BFAARN COc1oc(-c2ccccc2)cc1C=O ZINC000000248889 383846912 /nfs/dbraw/zinc/84/69/12/383846912.db2.gz PFRTYFPQERHEOC-UHFFFAOYSA-N 0 0 202.209 2.768 50 0 BFAARN O=C(Nc1nccs1)c1ccccc1F ZINC000000253389 383847902 /nfs/dbraw/zinc/84/79/02/383847902.db2.gz PPEREJLLBYEIRE-UHFFFAOYSA-N 0 0 222.244 2.535 50 0 BFAARN COc1ccc(C(=O)c2ccccc2)cc1 ZINC000000244531 383848696 /nfs/dbraw/zinc/84/86/96/383848696.db2.gz SWFHGTMLYIBPPA-UHFFFAOYSA-N 0 0 212.248 2.926 50 0 biogenic,in-vitro BFAARN Nc1nnc(Cc2cccc3ccccc32)s1 ZINC000000842928 383880181 /nfs/dbraw/zinc/88/01/81/383880181.db2.gz FZBLLTOCSPCNAD-UHFFFAOYSA-N 0 0 241.319 2.864 50 0 BFAARN COC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000000334287 383855462 /nfs/dbraw/zinc/85/54/62/383855462.db2.gz JJJQIAJTTBHMEW-JLHYYAGUSA-N 0 0 228.247 2.993 50 0 BFAARN O=C1c2ccccc2CN1c1ccc(F)cc1 ZINC000000373525 383860091 /nfs/dbraw/zinc/86/00/91/383860091.db2.gz GEGZBSFUOBTQNX-UHFFFAOYSA-N 0 0 227.238 2.986 50 0 BFAARN CC[C@H](C)c1ccccc1NS(C)(=O)=O ZINC000000383667 383860907 /nfs/dbraw/zinc/86/09/07/383860907.db2.gz QGYZSPMMHZGTTM-VIFPVBQESA-N 0 0 227.329 2.572 50 0 BFAARN CCN(CC)c1ccc(NC(=O)C2CC2)cc1 ZINC000000383641 383861030 /nfs/dbraw/zinc/86/10/30/383861030.db2.gz LHOFATONJDLVRM-UHFFFAOYSA-N 0 0 232.327 2.881 50 0 BFAARN O=C1c2ccccc2C(=O)N1c1ccc(F)cc1 ZINC000000391075 383862322 /nfs/dbraw/zinc/86/23/22/383862322.db2.gz QWWFWKBCBKKEAG-UHFFFAOYSA-N 0 0 241.221 2.626 50 0 BFAARN COc1ccccc1NC(=O)N1CCC[C@@H](C)C1 ZINC000000400217 383864089 /nfs/dbraw/zinc/86/40/89/383864089.db2.gz JXKIPUVOLRVNQE-LLVKDONJSA-N 0 0 248.326 2.959 50 0 BFAARN COc1ccc([C@H](O)Cc2ccccc2)cc1 ZINC000000402302 383864219 /nfs/dbraw/zinc/86/42/19/383864219.db2.gz LZGPSZXEKATVDE-OAHLLOKOSA-N 0 0 228.291 2.971 50 0 BFAARN CC1(C)OC(c2ccc(O)cc2)OC1(C)C ZINC000000406185 383866651 /nfs/dbraw/zinc/86/66/51/383866651.db2.gz RNLYGUMQOHUNEO-UHFFFAOYSA-N 0 0 222.284 2.995 50 0 BFAARN c1ccc(CSc2ncccn2)cc1 ZINC000000469814 383869359 /nfs/dbraw/zinc/86/93/59/383869359.db2.gz AYNTXICLWNGOHZ-UHFFFAOYSA-N 0 0 202.282 2.769 50 0 BFAARN CC1(C)OC(c2ccccc2O)OC1(C)C ZINC000000446345 383869471 /nfs/dbraw/zinc/86/94/71/383869471.db2.gz OYZDEDJEAAGWEI-UHFFFAOYSA-N 0 0 222.284 2.995 50 0 BFAARN CCc1cccc(C)c1NC(=O)[C@@H]1CCCO1 ZINC000000461226 383869595 /nfs/dbraw/zinc/86/95/95/383869595.db2.gz AZFPXVSFRVFLHX-LBPRGKRZSA-N 0 0 233.311 2.675 50 0 BFAARN CC(=O)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000000561086 383875497 /nfs/dbraw/zinc/87/54/97/383875497.db2.gz IGGMEQJQILNDHO-UHFFFAOYSA-N 0 0 219.284 2.728 50 0 BFAARN Cc1ccc(C)c(C(=O)NCc2ccncc2)c1 ZINC000000514813 383875586 /nfs/dbraw/zinc/87/55/86/383875586.db2.gz MGEWGUNUGBAWRU-UHFFFAOYSA-N 0 0 240.306 2.628 50 0 BFAARN c1n[nH]cc1N[C@@H]1CCCc2ccccc21 ZINC000035763706 383875937 /nfs/dbraw/zinc/87/59/37/383875937.db2.gz JSRBXUQRLZWRKC-CYBMUJFWSA-N 0 0 213.284 2.899 50 0 BFAARN Nc1nnc(SCc2ccccc2F)s1 ZINC000000151170 383833076 /nfs/dbraw/zinc/83/30/76/383833076.db2.gz IDUVACIKPBPMOZ-UHFFFAOYSA-N 0 0 241.316 2.552 50 0 BFAARN c1ccc2c(c1)N[C@H]([C@H]1Nc3ccccc3O1)O2 ZINC000000135841 383833179 /nfs/dbraw/zinc/83/31/79/383833179.db2.gz JLEHJOWNCWUHER-KBPBESRZSA-N 0 0 240.262 2.648 50 0 BFAARN CC(C)(C)OC(=O)N1CCC(F)(F)CC1 ZINC000067172961 383912405 /nfs/dbraw/zinc/91/24/05/383912405.db2.gz HHBBBPZPEBZLII-UHFFFAOYSA-N 0 0 221.247 2.653 50 0 BFAARN CCOC(=O)/C=C/c1cccc(Cl)c1 ZINC000001624854 383916277 /nfs/dbraw/zinc/91/62/77/383916277.db2.gz ROEZPXRDTJGAAN-VOTSOKGWSA-N 0 0 210.660 2.916 50 0 BFAARN COC(=O)c1cc(/C=C/c2ccccc2)on1 ZINC000001689666 383923387 /nfs/dbraw/zinc/92/33/87/383923387.db2.gz FSLSTBOIVMYKMU-BQYQJAHWSA-N 0 0 229.235 2.632 50 0 BFAARN c1ccc(Nc2ncc3c(n2)CCC3)cc1 ZINC000067621416 383933171 /nfs/dbraw/zinc/93/31/71/383933171.db2.gz UXRKXKZLGXJKTH-UHFFFAOYSA-N 0 0 211.268 2.709 50 0 BFAARN Cc1cc(C)c2nc(-n3cncn3)c(C)cc2c1 ZINC000000988115 383887037 /nfs/dbraw/zinc/88/70/37/383887037.db2.gz XOVDZMWLBOZUMI-UHFFFAOYSA-N 0 0 238.294 2.741 50 0 BFAARN COC(=O)c1ccc(-c2cccc(N)c2)cc1 ZINC000001259552 383890965 /nfs/dbraw/zinc/89/09/65/383890965.db2.gz VXTVRZIUOJSIIN-UHFFFAOYSA-N 0 0 227.263 2.722 50 0 BFAARN Cc1noc(C)c1CNc1ccccc1 ZINC000001383216 383895553 /nfs/dbraw/zinc/89/55/53/383895553.db2.gz PLGGMHVUVNKJDQ-UHFFFAOYSA-N 0 0 202.257 2.904 50 0 BFAARN Cc1noc(OCc2cccc3cccnc32)n1 ZINC000071886162 383895589 /nfs/dbraw/zinc/89/55/89/383895589.db2.gz KKJQNVZSOABLRN-UHFFFAOYSA-N 0 0 241.250 2.505 50 0 BFAARN C[C@H](NC(=O)c1cccs1)c1ccc(O)cc1 ZINC000001446000 383900511 /nfs/dbraw/zinc/90/05/11/383900511.db2.gz ALLCYDKHXRPRBE-VIFPVBQESA-N 0 0 247.319 2.945 50 0 BFAARN Cc1ccc2nc(C3CC3)cc(C(N)=O)c2c1 ZINC000089657511 383984572 /nfs/dbraw/zinc/98/45/72/383984572.db2.gz CKGBEYXWGVEJKY-UHFFFAOYSA-N 0 0 226.279 2.520 50 0 BFAARN CCN(CC)C(=O)CCCOCc1ccccc1 ZINC000050256371 383988756 /nfs/dbraw/zinc/98/87/56/383988756.db2.gz GVWCUMAMKFIRLY-UHFFFAOYSA-N 0 0 249.354 2.852 50 0 BFAARN O=C1CCc2c1ccc(F)c2Br ZINC000113513099 383991321 /nfs/dbraw/zinc/99/13/21/383991321.db2.gz JTVKCVNXTBXSOL-UHFFFAOYSA-N 0 0 229.048 2.717 50 0 BFAARN COC(=O)c1ccc(NC(C)C)c(C)c1 ZINC000037099479 383939290 /nfs/dbraw/zinc/93/92/90/383939290.db2.gz NMJWHSNUDASHKI-UHFFFAOYSA-N 0 0 207.273 2.602 50 0 BFAARN CC(=O)c1cccc(-n2cnnc2C2CCC2)c1 ZINC000067756981 383942666 /nfs/dbraw/zinc/94/26/66/383942666.db2.gz BHZOSCQYDSDDGQ-UHFFFAOYSA-N 0 0 241.294 2.737 50 0 BFAARN Cc1nc(COC(=O)c2ccncc2)c(C)s1 ZINC000091754051 383968926 /nfs/dbraw/zinc/96/89/26/383968926.db2.gz HHVLZUOCYDQXPM-UHFFFAOYSA-N 0 0 248.307 2.512 50 0 BFAARN COC(=O)c1c(Cl)ccc(Cl)c1OC ZINC000002516178 383969271 /nfs/dbraw/zinc/96/92/71/383969271.db2.gz AWSBKDYHGOOSML-UHFFFAOYSA-N 0 0 235.066 2.789 50 0 BFAARN CC(C)(c1ccc(C=O)o1)c1ccc(C=O)o1 ZINC000002519614 383969293 /nfs/dbraw/zinc/96/92/93/383969293.db2.gz WAGODXSZJGIWEV-UHFFFAOYSA-N 0 0 232.235 2.824 50 0 BFAARN O=Cc1cc(Cl)ccc1OC(F)F ZINC000002529873 383970976 /nfs/dbraw/zinc/97/09/76/383970976.db2.gz FRNLODWJIKMPDY-UHFFFAOYSA-N 0 0 206.575 2.754 50 0 BFAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2)s1 ZINC000003225055 384001757 /nfs/dbraw/zinc/00/17/57/384001757.db2.gz SMZMLCNTHXBCBB-LBPRGKRZSA-N 0 0 244.319 2.911 50 0 BFAARN CC(C)(C)OC(=O)C(F)(F)C(F)(F)F ZINC000002565724 383976770 /nfs/dbraw/zinc/97/67/70/383976770.db2.gz PIXVHVXDRVVEGH-UHFFFAOYSA-N 0 0 220.137 2.526 50 0 BFAARN O=C(Nc1cnc2c(c1)CCC2)NC1CCCC1 ZINC000257181438 383976937 /nfs/dbraw/zinc/97/69/37/383976937.db2.gz FOENMSZGPDPCJE-UHFFFAOYSA-N 0 0 245.326 2.634 50 0 BFAARN O=C(/C=C/c1ccccc1F)Nc1nccs1 ZINC000003549618 384017174 /nfs/dbraw/zinc/01/71/74/384017174.db2.gz LXZRJJLCGGGIOM-AATRIKPKSA-N 0 0 248.282 2.934 50 0 BFAARN CC(C)CC(=O)Nc1cnc2c(c1)CCC2 ZINC000257182125 384020706 /nfs/dbraw/zinc/02/07/06/384020706.db2.gz GFDOOQXDTYVFFJ-UHFFFAOYSA-N 0 0 218.300 2.555 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000003294712 384005403 /nfs/dbraw/zinc/00/54/03/384005403.db2.gz VJWYILXDIGYAIS-HTQZYQBOSA-N 0 0 236.340 2.616 50 0 BFAARN CCCC[C@@H]1CN(OCc2ccccc2)C1=O ZINC000034875398 384006187 /nfs/dbraw/zinc/00/61/87/384006187.db2.gz NJLUCYJPLCEOLR-CYBMUJFWSA-N 0 0 233.311 2.767 50 0 BFAARN CC(=O)N1CCCc2c(Cl)ccc(F)c21 ZINC000089930559 384009796 /nfs/dbraw/zinc/00/97/96/384009796.db2.gz HYSYFSWUEXRKBY-UHFFFAOYSA-N 0 0 227.666 2.778 50 0 BFAARN CC[C@@H]1c2cc(OC)ccc2CCC1=O ZINC000090415235 384047873 /nfs/dbraw/zinc/04/78/73/384047873.db2.gz IJYWCVPWBNPSIL-LLVKDONJSA-N 0 0 204.269 2.704 50 0 BFAARN Cc1n[nH]c2cc(NC(=O)c3ccco3)ccc12 ZINC000091837020 384052031 /nfs/dbraw/zinc/05/20/31/384052031.db2.gz OCJPKTNCLXISRB-UHFFFAOYSA-N 0 0 241.250 2.717 50 0 BFAARN O=C(/C=C/c1ccccc1)n1nnc2ccccc21 ZINC000003898572 384033915 /nfs/dbraw/zinc/03/39/15/384033915.db2.gz OYYVHLPZRRNXJQ-ZHACJKMWSA-N 0 0 249.273 2.785 50 0 BFAARN Cc1ccc(C(=O)NC2CC2)cc1Cl ZINC000004868888 384085830 /nfs/dbraw/zinc/08/58/30/384085830.db2.gz DZNUBUQZHVWWEE-UHFFFAOYSA-N 0 0 209.676 2.541 50 0 BFAARN O=C(C(F)(Cl)Cl)C(F)(Cl)Cl ZINC000004329310 384057782 /nfs/dbraw/zinc/05/77/82/384057782.db2.gz MXYOKVCIXGJEFW-UHFFFAOYSA-N 0 0 231.840 2.757 50 0 BFAARN Cc1ccc(O)c(NC(=O)Cc2ccccc2)c1 ZINC000004616493 384071790 /nfs/dbraw/zinc/07/17/90/384071790.db2.gz IHFJPJBAKJKSBU-UHFFFAOYSA-N 0 0 241.290 2.882 50 0 BFAARN O=C1OC(c2ccccc2)=N/C1=C\c1ccco1 ZINC000004709175 384077398 /nfs/dbraw/zinc/07/73/98/384077398.db2.gz QJBMVCDGBSYRJD-XFXZXTDPSA-N 0 0 239.230 2.624 50 0 BFAARN CCc1cccnc1NC(=O)OC(C)(C)C ZINC000038272126 384080579 /nfs/dbraw/zinc/08/05/79/384080579.db2.gz IQRKFAYMMZQJCK-UHFFFAOYSA-N 0 0 222.288 2.991 50 0 BFAARN C[C@@H]1Cc2ccc(Br)cc2C1=O ZINC000038997814 384098908 /nfs/dbraw/zinc/09/89/08/384098908.db2.gz GMJKJIUETGRADG-ZCFIWIBFSA-N 0 0 225.085 2.824 50 0 BFAARN O=Cc1ccc(-n2cc(C(F)(F)F)cn2)cc1 ZINC000070466837 384110725 /nfs/dbraw/zinc/11/07/25/384110725.db2.gz XNIOOCZQLOFSJS-UHFFFAOYSA-N 0 0 240.184 2.704 50 0 BFAARN Cc1ccc(OC(F)(F)F)cc1C=O ZINC000091252050 384112382 /nfs/dbraw/zinc/11/23/82/384112382.db2.gz JTYVBDVMQINBPT-UHFFFAOYSA-N 0 0 204.147 2.706 50 0 BFAARN O=C1CCCc2c(Br)cccc2N1 ZINC000091301241 384115630 /nfs/dbraw/zinc/11/56/30/384115630.db2.gz VTTMGWBZSGXBTC-UHFFFAOYSA-N 0 0 240.100 2.724 50 0 BFAARN O=C(c1cc(Cl)nnc1Cl)C(F)(F)F ZINC000091355979 384121267 /nfs/dbraw/zinc/12/12/67/384121267.db2.gz CNORKIGAJMVUKG-UHFFFAOYSA-N 0 0 244.987 2.528 50 0 BFAARN CN(Cc1ccccn1)c1ncccc1Cl ZINC000091456381 384129372 /nfs/dbraw/zinc/12/93/72/384129372.db2.gz ZNPXTBHMEBTFAO-UHFFFAOYSA-N 0 0 233.702 2.766 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F ZINC000000372134 384150996 /nfs/dbraw/zinc/15/09/96/384150996.db2.gz FQBRESKKJAUMQD-HTRCEHHLSA-N 0 0 211.211 2.559 50 0 BFAARN Cc1ccc([C@@H](O)c2cnc(C(C)C)n2C)cc1 ZINC000000372979 384152679 /nfs/dbraw/zinc/15/26/79/384152679.db2.gz VYJBNUIOSKMFRF-CQSZACIVSA-N 0 0 244.338 2.934 50 0 BFAARN COCCn1c(=S)[nH]nc1-c1cccc(C)c1 ZINC000006412718 384153084 /nfs/dbraw/zinc/15/30/84/384153084.db2.gz CIXNCXDSJYUDNE-UHFFFAOYSA-N 0 0 249.339 2.563 50 0 BFAARN COC(=O)c1cc(N)ccc1Oc1ccccc1 ZINC000040450025 384153598 /nfs/dbraw/zinc/15/35/98/384153598.db2.gz MHAZEXGQGPSXRT-UHFFFAOYSA-N 0 0 243.262 2.848 50 0 BFAARN Cc1c(O)ccc(I)c1C ZINC000071255472 384153939 /nfs/dbraw/zinc/15/39/39/384153939.db2.gz LLSRHWKZLHNAMI-UHFFFAOYSA-N 0 0 248.063 2.614 50 0 BFAARN CC(C)CCCc1nc(-c2cccnn2)no1 ZINC000091678547 384138525 /nfs/dbraw/zinc/13/85/25/384138525.db2.gz WEALQAALTRCQFG-UHFFFAOYSA-N 0 0 232.287 2.505 50 0 BFAARN CC(C)CC(=O)Nc1nc2ccccc2[nH]1 ZINC000005907168 384138651 /nfs/dbraw/zinc/13/86/51/384138651.db2.gz OMYCKNATUYHQTB-UHFFFAOYSA-N 0 0 217.272 2.548 50 0 BFAARN COC(=O)c1ccc(Cl)cc1OC(F)F ZINC000091692987 384141448 /nfs/dbraw/zinc/14/14/48/384141448.db2.gz INPJFZSWLFHSDV-UHFFFAOYSA-N 0 0 236.601 2.728 50 0 BFAARN COC(=O)c1c(Cl)nccc1C(F)(F)F ZINC000040566638 384157736 /nfs/dbraw/zinc/15/77/36/384157736.db2.gz FDASGHWJBUNFFL-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN C[C@H](NC(=O)c1cccc(F)c1)c1ccncc1 ZINC000006125226 384145789 /nfs/dbraw/zinc/14/57/89/384145789.db2.gz BRNYLBNOXFKGBT-JTQLQIEISA-N 0 0 244.269 2.712 50 0 BFAARN C[C@H](NC(=O)c1ccccc1F)c1ccncc1 ZINC000006125120 384145895 /nfs/dbraw/zinc/14/58/95/384145895.db2.gz AKUHURJFCOTJAK-JTQLQIEISA-N 0 0 244.269 2.712 50 0 BFAARN C=Cc1cccc(-c2nccn2CCCO)c1 ZINC000071752515 384176767 /nfs/dbraw/zinc/17/67/67/384176767.db2.gz VWQLSWBEIPULGZ-UHFFFAOYSA-N 0 0 228.295 2.576 50 0 BFAARN C[C@@H](NC(=O)c1ccccc1O)C(C)(C)C ZINC000006668517 384162935 /nfs/dbraw/zinc/16/29/35/384162935.db2.gz IYBICXLRHUZDPV-SECBINFHSA-N 0 0 221.300 2.557 50 0 BFAARN Cc1ccnc(NC(=O)C2CCCC2)c1 ZINC000000383535 384163495 /nfs/dbraw/zinc/16/34/95/384163495.db2.gz ZWMVHWGSFYFHIK-UHFFFAOYSA-N 0 0 204.273 2.519 50 0 BFAARN CCc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC000006741529 384165466 /nfs/dbraw/zinc/16/54/66/384165466.db2.gz ZAXIWFGAGXGJBV-ZDUSSCGKSA-N 0 0 248.326 2.550 50 0 BFAARN COC(=O)c1ccc(-c2cccc(O)c2)cc1 ZINC000006735135 384165564 /nfs/dbraw/zinc/16/55/64/384165564.db2.gz LIQIQAWUDHGWSL-UHFFFAOYSA-N 0 0 228.247 2.846 50 0 BFAARN O=CO[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000006864496 384168911 /nfs/dbraw/zinc/16/89/11/384168911.db2.gz HURLSXQWWGXAIY-OAHLLOKOSA-N 0 0 240.258 2.784 50 0 BFAARN FC(F)(F)Cn1ccnc1-c1ccncc1 ZINC000071749271 384176786 /nfs/dbraw/zinc/17/67/86/384176786.db2.gz ZHWMSUANZPGOHE-UHFFFAOYSA-N 0 0 227.189 2.507 50 0 BFAARN CCOc1nc2ccccc2nc1Cl ZINC000071773868 384177146 /nfs/dbraw/zinc/17/71/46/384177146.db2.gz SXCYPUDQWGUNHG-UHFFFAOYSA-N 0 0 208.648 2.682 50 0 BFAARN Nc1nnc(-c2ccccc2-c2ccccc2)o1 ZINC000071773201 384177347 /nfs/dbraw/zinc/17/73/47/384177347.db2.gz FRVNSYFJFQZZNX-UHFFFAOYSA-N 0 0 237.262 2.986 50 0 BFAARN Cc1ccc(NC(=O)c2ccc(N)cc2)nc1C ZINC000071774192 384177934 /nfs/dbraw/zinc/17/79/34/384177934.db2.gz FYZHOAYTFZAELD-UHFFFAOYSA-N 0 0 241.294 2.533 50 0 BFAARN Cc1cc(C2CCC2)nc(-c2ccc(N)nc2)n1 ZINC000426408925 384178101 /nfs/dbraw/zinc/17/81/01/384178101.db2.gz KDXSXBBBFCYILG-UHFFFAOYSA-N 0 0 240.310 2.527 50 0 BFAARN CCCCNc1nc2ccccc2c(N(C)C)n1 ZINC000041147274 384180610 /nfs/dbraw/zinc/18/06/10/384180610.db2.gz MSXYBGRCFPRKSI-UHFFFAOYSA-N 0 0 244.342 2.908 50 0 BFAARN O=Nc1c(-c2ccccc2)nc2ncccn12 ZINC000004876845 384183623 /nfs/dbraw/zinc/18/36/23/384183623.db2.gz HIZISRIQSINMOY-UHFFFAOYSA-N 0 0 224.223 2.794 50 0 in-vitro BFAARN COC(=O)c1c[nH]cc1[C@H](C)c1ccccc1 ZINC000071864056 384183731 /nfs/dbraw/zinc/18/37/31/384183731.db2.gz ILJFLMISHGBYCJ-SNVBAGLBSA-N 0 0 229.279 2.953 50 0 BFAARN C[C@](O)(c1ccccc1)c1ccccc1N ZINC000032233005 384201390 /nfs/dbraw/zinc/20/13/90/384201390.db2.gz MNFIFVDJWVLIMQ-AWEZNQCLSA-N 0 0 213.280 2.525 50 0 BFAARN Fc1ccc(-c2n[nH]cc2-c2ncc[nH]2)c(F)c1 ZINC000072165675 384198098 /nfs/dbraw/zinc/19/80/98/384198098.db2.gz DJYVZMJISMIEOA-UHFFFAOYSA-N 0 0 246.220 2.745 50 0 BFAARN N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000072194734 384199358 /nfs/dbraw/zinc/19/93/58/384199358.db2.gz FQBIIQNIZSLNJU-ZETCQYMHSA-N 0 0 211.133 2.527 50 0 BFAARN CC[C@@H](C)n1nc(C)c(Cl)c1C=O ZINC000072209429 384199432 /nfs/dbraw/zinc/19/94/32/384199432.db2.gz ZSUUNQRJSIKNRW-ZCFIWIBFSA-N 0 0 200.669 2.628 50 0 BFAARN CC[C@H](C)n1nc(C)c(Cl)c1C=O ZINC000072209430 384200506 /nfs/dbraw/zinc/20/05/06/384200506.db2.gz ZSUUNQRJSIKNRW-LURJTMIESA-N 0 0 200.669 2.628 50 0 BFAARN Cc1[nH]nc(N)c1-c1cccc(Cl)c1 ZINC000008701428 384209956 /nfs/dbraw/zinc/20/99/56/384209956.db2.gz HOORSUWNFBFXET-UHFFFAOYSA-N 0 0 207.664 2.621 50 0 BFAARN COC(=O)c1cc2cc(F)ccc2s1 ZINC000008729977 384212931 /nfs/dbraw/zinc/21/29/31/384212931.db2.gz KMBHCZSECUMYRF-UHFFFAOYSA-N 0 0 210.229 2.827 50 0 BFAARN Cc1noc(C)c1C(=O)NCC1CCCCC1 ZINC000008745670 384214814 /nfs/dbraw/zinc/21/48/14/384214814.db2.gz BWTVICPNGGNIKB-UHFFFAOYSA-N 0 0 236.315 2.602 50 0 BFAARN CCc1ccccc1Nc1cc(C)nc(N)n1 ZINC000072437522 384223859 /nfs/dbraw/zinc/22/38/59/384223859.db2.gz RJPNKRJNDBMOPH-UHFFFAOYSA-N 0 0 228.299 2.673 50 0 BFAARN Cc1n[nH]c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000008914960 384226804 /nfs/dbraw/zinc/22/68/04/384226804.db2.gz OQEWXPSTMAAWSP-SNVBAGLBSA-N 0 0 244.269 2.770 50 0 BFAARN CCN(CC)c1ncc(Br)cc1C ZINC000042783620 384245208 /nfs/dbraw/zinc/24/52/08/384245208.db2.gz OVTOMAVFTXIAJP-UHFFFAOYSA-N 0 0 243.148 2.999 50 0 BFAARN CC(C)=CC(=O)Nc1cccc(C(C)=O)c1 ZINC000000145692 384265437 /nfs/dbraw/zinc/26/54/37/384265437.db2.gz XUIIWXZCZHITLR-UHFFFAOYSA-N 0 0 217.268 2.794 50 0 BFAARN COc1ccc2c(c1)[C@H](C(=O)OC(C)C)CC2 ZINC000408514509 384266593 /nfs/dbraw/zinc/26/65/93/384266593.db2.gz HEOQNSHXUAHJNW-GFCCVEGCSA-N 0 0 234.295 2.677 50 0 BFAARN CC(C)n1ccc(C(=O)N[C@@H]2C[C@]2(C)C(C)C)n1 ZINC000408520036 384272778 /nfs/dbraw/zinc/27/27/78/384272778.db2.gz PGHXUNMZTUIGFX-TZMCWYRMSA-N 0 0 249.358 2.628 50 0 BFAARN Cc1nnc(CN[C@H](c2ccccc2)C(C)C)o1 ZINC000096982332 384273148 /nfs/dbraw/zinc/27/31/48/384273148.db2.gz CINWEJKOQXNDNP-AWEZNQCLSA-N 0 0 245.326 2.865 50 0 BFAARN CC(C)n1ccc(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)n1 ZINC000408520035 384273962 /nfs/dbraw/zinc/27/39/62/384273962.db2.gz PGHXUNMZTUIGFX-OCCSQVGLSA-N 0 0 249.358 2.628 50 0 BFAARN c1noc2c1cccc2OCC[C@@H]1CCCO1 ZINC000408518381 384274630 /nfs/dbraw/zinc/27/46/30/384274630.db2.gz DZWYUWAJFVEVFV-NSHDSACASA-N 0 0 233.267 2.776 50 0 BFAARN C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000237485339 384241825 /nfs/dbraw/zinc/24/18/25/384241825.db2.gz FEHPBDRDMSFMQL-SWLSCSKDSA-N 0 0 247.338 2.513 50 0 BFAARN O=Cc1cc2cc(Br)ccc2[nH]1 ZINC000012336780 384311671 /nfs/dbraw/zinc/31/16/71/384311671.db2.gz CFABANPJKXPUFN-UHFFFAOYSA-N 0 0 224.057 2.743 50 0 BFAARN O=Cc1c(F)ccc(Br)c1F ZINC000012359163 384313015 /nfs/dbraw/zinc/31/30/15/384313015.db2.gz OXBHKEYDKAWFLS-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN C=CC(=O)N1CCCn2c(cc3ccccc32)C1 ZINC000408525869 384290125 /nfs/dbraw/zinc/29/01/25/384290125.db2.gz AXMPIDKRDNVZGN-UHFFFAOYSA-N 0 0 240.306 2.560 50 0 BFAARN Cc1ccc(CNc2nnc(-c3ccco3)o2)o1 ZINC000134422454 384294638 /nfs/dbraw/zinc/29/46/38/384294638.db2.gz LUDKTDILCGFVOZ-UHFFFAOYSA-N 0 0 245.238 2.843 50 0 BFAARN O=C1NCc2ccccc2-c2ccccc21 ZINC000000248243 384300439 /nfs/dbraw/zinc/30/04/39/384300439.db2.gz HBJCSIUTZKXSKB-UHFFFAOYSA-N 0 0 209.248 2.597 50 0 BFAARN Cc1ccc(C(=O)NCC(C)C)cc1C ZINC000000288387 384300592 /nfs/dbraw/zinc/30/05/92/384300592.db2.gz QQUVHQBNRXQYIG-UHFFFAOYSA-N 0 0 205.301 2.689 50 0 BFAARN S=C1N=NC(c2ccc(Cl)s2)O1 ZINC000011919927 384301684 /nfs/dbraw/zinc/30/16/84/384301684.db2.gz WWBZXJCBUXONMV-UHFFFAOYSA-N 0 0 218.690 2.740 50 0 BFAARN O=Cc1cc2ccc(F)cc2nc1Cl ZINC000011887982 384302080 /nfs/dbraw/zinc/30/20/80/384302080.db2.gz CZBARWPAXUPUFB-UHFFFAOYSA-N 0 0 209.607 2.840 50 0 BFAARN COC(=O)c1ccc(C(F)(F)F)cc1F ZINC000044199510 384322084 /nfs/dbraw/zinc/32/20/84/384322084.db2.gz QCBVUHGECYPLFY-UHFFFAOYSA-N 0 0 222.137 2.631 50 0 BFAARN CC[C@H](C)N1C(=S)N=NC1c1ccncc1 ZINC000012909892 384341596 /nfs/dbraw/zinc/34/15/96/384341596.db2.gz QKBZSXVXHKPDRC-QMMMGPOBSA-N 0 0 234.328 2.600 50 0 BFAARN Nc1c(F)c(Cl)ccc1Br ZINC000075915345 384346970 /nfs/dbraw/zinc/34/69/70/384346970.db2.gz WXCVUVYFQQVECG-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN CC1(C)C[C@@H]1NC(=O)Nc1cccc(C2CC2)n1 ZINC000296749858 384351946 /nfs/dbraw/zinc/35/19/46/384351946.db2.gz DNBRMQSDMGVXRY-NSHDSACASA-N 0 0 245.326 2.879 50 0 BFAARN Cc1c[nH]c2cc(Br)cnc12 ZINC000206024808 384354056 /nfs/dbraw/zinc/35/40/56/384354056.db2.gz UYLGTOMWWCDXOQ-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1ccc(C(=O)N[C@H](C)C(C)(C)C)o1 ZINC000001052370 384359273 /nfs/dbraw/zinc/35/92/73/384359273.db2.gz IXMLMBSRKCLDMR-SECBINFHSA-N 0 0 209.289 2.752 50 0 BFAARN Fc1cccc(N2CCOCC2)c1C(F)(F)F ZINC000095081270 384359238 /nfs/dbraw/zinc/35/92/38/384359238.db2.gz UWDQJQMSNSGMDU-UHFFFAOYSA-N 0 0 249.207 2.681 50 0 BFAARN O=C(c1coc2ccc(O)cc12)c1ccccn1 ZINC000095094133 384362693 /nfs/dbraw/zinc/36/26/93/384362693.db2.gz RGOCAKAKTJSDFR-UHFFFAOYSA-N 0 0 239.230 2.764 50 0 BFAARN COc1cc(Nc2ccc(Cl)cc2)ncn1 ZINC000095099731 384365860 /nfs/dbraw/zinc/36/58/60/384365860.db2.gz KJTZHFVQNJLJQW-UHFFFAOYSA-N 0 0 235.674 2.882 50 0 BFAARN Cc1ccc(C)c(O[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000013710116 384368083 /nfs/dbraw/zinc/36/80/83/384368083.db2.gz YPELQVOIZISWPE-LBPRGKRZSA-N 0 0 249.354 2.985 50 0 BFAARN Cc1ccncc1C(=O)c1cc(F)ccc1F ZINC000045029026 384368790 /nfs/dbraw/zinc/36/87/90/384368790.db2.gz YRNBTVUAGVKPQH-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CCCCNC(=O)Cc1ccc(C)c(C)c1 ZINC000013679389 384369190 /nfs/dbraw/zinc/36/91/90/384369190.db2.gz KKWQMZWVXLVNMO-UHFFFAOYSA-N 0 0 219.328 2.762 50 0 BFAARN CN(Cc1ccncc1)Cc1cc(F)cc(F)c1 ZINC000097113734 384369323 /nfs/dbraw/zinc/36/93/23/384369323.db2.gz GPRKEFROIMHVEM-UHFFFAOYSA-N 0 0 248.276 2.992 50 0 BFAARN Cc1ccncc1C(=O)c1ccc(F)cc1 ZINC000045028995 384369844 /nfs/dbraw/zinc/36/98/44/384369844.db2.gz SJSSCJBHGYYUDT-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN Cc1cc(C(=O)c2cc(F)cc(F)c2)ccn1 ZINC000045038592 384371196 /nfs/dbraw/zinc/37/11/96/384371196.db2.gz SDNLKUBLRLROBC-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1cc(C(=O)c2ccc(F)cc2F)ccn1 ZINC000045038578 384371600 /nfs/dbraw/zinc/37/16/00/384371600.db2.gz SMWCIMMATRWERL-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN O=c1c2ccccc2sn1C[C@@H]1CCCCO1 ZINC000095385543 384372703 /nfs/dbraw/zinc/37/27/03/384372703.db2.gz LGUUAXKCOSSBFN-JTQLQIEISA-N 0 0 249.335 2.632 50 0 BFAARN CCOCCn1ccnc1-c1cccs1 ZINC000097082656 384323775 /nfs/dbraw/zinc/32/37/75/384323775.db2.gz PEUUSMCIFXYOJE-UHFFFAOYSA-N 0 0 222.313 2.648 50 0 BFAARN C[C@@]1(c2ccccc2)Nc2ccccc2C(=O)N1 ZINC000012537673 384325840 /nfs/dbraw/zinc/32/58/40/384325840.db2.gz SLVKQLFZYGGACC-OAHLLOKOSA-N 0 0 238.290 2.715 50 0 BFAARN Cc1ccnc(NC(=O)C[C@H]2C=CCC2)c1 ZINC000012552818 384326009 /nfs/dbraw/zinc/32/60/09/384326009.db2.gz KOLIISCXEHHEBV-NSHDSACASA-N 0 0 216.284 2.685 50 0 BFAARN FC(F)(F)c1nccnc1C(F)(F)F ZINC000077011743 384393614 /nfs/dbraw/zinc/39/36/14/384393614.db2.gz ABHLZHRGCQAXEN-UHFFFAOYSA-N 0 0 216.084 2.514 50 0 BFAARN COCc1nc2cc(C[C@H]3CCCO3)ccc2o1 ZINC000077436832 384407603 /nfs/dbraw/zinc/40/76/03/384407603.db2.gz VFSCGMWRBKNSQZ-LLVKDONJSA-N 0 0 247.294 2.696 50 0 BFAARN CC1(C)COC2(C[C@H]3CC=C[C@H]3C2)OC1 ZINC000095929137 384410354 /nfs/dbraw/zinc/41/03/54/384410354.db2.gz MFPZHVAUQQEPCD-WDEREUQCSA-N 0 0 208.301 2.742 50 0 BFAARN Cc1nc(-c2ccccn2)cc(=S)[nH]1 ZINC000045918636 384414095 /nfs/dbraw/zinc/41/40/95/384414095.db2.gz OKDNAOPCKNMTOR-UHFFFAOYSA-N 0 0 203.270 2.510 50 0 BFAARN O=S=Nc1ccc(C(F)(F)F)cc1 ZINC000096032120 384422028 /nfs/dbraw/zinc/42/20/28/384422028.db2.gz VNJWEMMDNLQZKC-UHFFFAOYSA-N 0 0 207.176 2.734 50 0 BFAARN C[C@@H]1COc2ccccc2N1Cc1nccs1 ZINC000135203345 384423375 /nfs/dbraw/zinc/42/33/75/384423375.db2.gz PHTJAHZPHBBQNC-SNVBAGLBSA-N 0 0 246.335 2.931 50 0 BFAARN Cc1noc(C)c1C[N@@H+](C(C)C)C1CC1 ZINC000032777889 384378071 /nfs/dbraw/zinc/37/80/71/384378071.db2.gz IBXKHPFPEMWVSS-UHFFFAOYSA-N 0 0 208.305 2.664 50 0 BFAARN COc1cc(Cl)c(Br)cc1N ZINC000095494752 384378485 /nfs/dbraw/zinc/37/84/85/384378485.db2.gz YYRSHQWXBOMAAS-UHFFFAOYSA-N 0 0 236.496 2.693 50 0 BFAARN C[C@@H](NC(=S)NC1CCCC1)c1ccncc1 ZINC000013933162 384379019 /nfs/dbraw/zinc/37/90/19/384379019.db2.gz SCXWVJIMZWQMHJ-SNVBAGLBSA-N 0 0 249.383 2.549 50 0 BFAARN O=Cc1nccnc1-c1ccc(Cl)cc1 ZINC000095627690 384383445 /nfs/dbraw/zinc/38/34/45/384383445.db2.gz IJSUAAQWBCIVJS-UHFFFAOYSA-N 0 0 218.643 2.610 50 0 BFAARN Nc1ccc2cc(Br)cnc2c1 ZINC000095616302 384383538 /nfs/dbraw/zinc/38/35/38/384383538.db2.gz PUPYSBMMYVIJCB-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN CCC[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000015856409 384444324 /nfs/dbraw/zinc/44/43/24/384444324.db2.gz SXNGFYCOKWTRKW-TUAOUCFPSA-N 0 0 211.349 2.927 50 0 BFAARN COC(=O)c1cccc(C(F)(F)F)c1C ZINC000047202426 384444709 /nfs/dbraw/zinc/44/47/09/384444709.db2.gz KFJGSNVBDYRBAD-UHFFFAOYSA-N 0 0 218.174 2.800 50 0 BFAARN CSCC(=O)Nc1cccc2c1CCCC2 ZINC000015302491 384429066 /nfs/dbraw/zinc/42/90/66/384429066.db2.gz VWPZQNVAKKKKDE-UHFFFAOYSA-N 0 0 235.352 2.867 50 0 BFAARN Nc1nnc(-c2ccc(Cl)s2)s1 ZINC000015442578 384431177 /nfs/dbraw/zinc/43/11/77/384431177.db2.gz RMJVLCCGWMTQSO-UHFFFAOYSA-N 0 0 217.706 2.502 50 0 BFAARN CCc1ccc(-c2nc([C@@H]3CCOC3)no2)cc1 ZINC000096147778 384437800 /nfs/dbraw/zinc/43/78/00/384437800.db2.gz DYRNRNNDOUQNNQ-GFCCVEGCSA-N 0 0 244.294 2.803 50 0 BFAARN Cc1nc(CSCC2CC2)n(C(C)(C)C)n1 ZINC000096136730 384437889 /nfs/dbraw/zinc/43/78/89/384437889.db2.gz PFSOKOTXUFIJPZ-UHFFFAOYSA-N 0 0 239.388 2.985 50 0 BFAARN Clc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000096436044 384459642 /nfs/dbraw/zinc/45/96/42/384459642.db2.gz OUCNRPSECDTEMP-UHFFFAOYSA-N 0 0 214.055 2.779 50 0 BFAARN Cc1cc(C)cc(C(=O)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000016604687 384460941 /nfs/dbraw/zinc/46/09/41/384460941.db2.gz MFDLETVRXNHKDX-OCCSQVGLSA-N 0 0 247.338 2.601 50 0 BFAARN Cc1cc(C)cc(C(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000016604691 384461302 /nfs/dbraw/zinc/46/13/02/384461302.db2.gz MFDLETVRXNHKDX-TZMCWYRMSA-N 0 0 247.338 2.601 50 0 BFAARN Cc1nc(Cl)cc(N(C)CC2CCC2)n1 ZINC000061486841 384463163 /nfs/dbraw/zinc/46/31/63/384463163.db2.gz YECJUFXWMAPUPQ-UHFFFAOYSA-N 0 0 225.723 2.675 50 0 BFAARN Clc1ccc(CCCn2cncn2)cc1 ZINC000079073253 384483582 /nfs/dbraw/zinc/48/35/82/384483582.db2.gz LFCIMRHOKUPSCO-UHFFFAOYSA-N 0 0 221.691 2.564 50 0 BFAARN Clc1ccc(Br)c2[nH]cnc21 ZINC000097442096 384522733 /nfs/dbraw/zinc/52/27/33/384522733.db2.gz CEUQSGOBJMLVLX-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Cc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 ZINC000019736570 384533492 /nfs/dbraw/zinc/53/34/92/384533492.db2.gz BHHKZAPANYCVLP-UHFFFAOYSA-N 0 0 244.269 2.969 50 0 BFAARN COC(=O)c1cc(O)cc(-c2ccccc2)c1 ZINC000097756991 384553158 /nfs/dbraw/zinc/55/31/58/384553158.db2.gz WVBJYTHKCQRAIE-UHFFFAOYSA-N 0 0 228.247 2.846 50 0 BFAARN CC[C@H](C)Nc1ccc(OC)cc1OC ZINC000019903476 384554359 /nfs/dbraw/zinc/55/43/59/384554359.db2.gz QGOHFKDBVLSCRH-VIFPVBQESA-N 0 0 209.289 2.914 50 0 BFAARN CC(C)CCNC(=O)Cc1cccc(F)c1 ZINC000019934944 384560488 /nfs/dbraw/zinc/56/04/88/384560488.db2.gz MHMNPIFFCMHDCZ-UHFFFAOYSA-N 0 0 223.291 2.531 50 0 BFAARN COCC[C@H](C)Nc1ccc(-n2ccnc2)cc1 ZINC000097037188 384567149 /nfs/dbraw/zinc/56/71/49/384567149.db2.gz NCZKJQYWZKXSCC-LBPRGKRZSA-N 0 0 245.326 2.709 50 0 BFAARN Cc1ccc(C)c([C@@H]([NH3+])c2cccnc2)c1 ZINC000019972421 384567528 /nfs/dbraw/zinc/56/75/28/384567528.db2.gz NULQARXVUXOZBH-AWEZNQCLSA-N 0 0 212.296 2.747 50 0 BFAARN C[C@H]([NH3+])c1cc(Cl)ccc1OC(F)F ZINC000050209076 384604742 /nfs/dbraw/zinc/60/47/42/384604742.db2.gz ZFMBWLIOBWVWSF-YFKPBYRVSA-N 0 0 221.634 2.961 50 0 BFAARN c1ccc2c(c1)nc1nc(-c3cccnc3)ccn21 ZINC000020733116 384632703 /nfs/dbraw/zinc/63/27/03/384632703.db2.gz GUZBPXVJQCPJLK-UHFFFAOYSA-N 0 0 246.273 2.945 50 0 BFAARN Cc1nc(-c2cccnc2)sc1-c1cc[nH]n1 ZINC000101038379 384664183 /nfs/dbraw/zinc/66/41/83/384664183.db2.gz GSJXMCPUNXZEJK-UHFFFAOYSA-N 0 0 242.307 2.904 50 0 BFAARN Cc1cc(C(=O)Nc2cccc(C)c2C)on1 ZINC000006788941 384642081 /nfs/dbraw/zinc/64/20/81/384642081.db2.gz DHTLBNRDRWDCJJ-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN COC(=O)c1ccc2c(Cl)ccnc2c1 ZINC000082046545 384644223 /nfs/dbraw/zinc/64/42/23/384644223.db2.gz QUCTXYQKZCLAPW-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN CCOc1cccc(CNC(=O)C2CC=CC2)c1 ZINC000077737146 384708317 /nfs/dbraw/zinc/70/83/17/384708317.db2.gz PWVSEOXLOFNQOW-UHFFFAOYSA-N 0 0 245.322 2.668 50 0 BFAARN O=C(c1coc2ccccc12)N1CCCC1 ZINC000078637422 384709884 /nfs/dbraw/zinc/70/98/84/384709884.db2.gz UQGXUXOJTUUKQX-UHFFFAOYSA-N 0 0 215.252 2.669 50 0 BFAARN CC(C)=CC(=O)Nc1ccc(Cl)cc1O ZINC000097229683 384715426 /nfs/dbraw/zinc/71/54/26/384715426.db2.gz RNIPRADIANRTIV-UHFFFAOYSA-N 0 0 225.675 2.950 50 0 BFAARN O=C(CC1CCC1)N(Cc1ccncc1)C1CC1 ZINC000173748636 384718832 /nfs/dbraw/zinc/71/88/32/384718832.db2.gz ZAMFSFGWWUAZBI-UHFFFAOYSA-N 0 0 244.338 2.763 50 0 BFAARN c1ccc(N2CC[C@@H]3CCCC[C@@H]32)nc1 ZINC000080972557 384732835 /nfs/dbraw/zinc/73/28/35/384732835.db2.gz ZCFZTNRSWIDGOO-RYUDHWBXSA-N 0 0 202.301 2.851 50 0 BFAARN CC(C)CC(=O)N(C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000052514020 384735396 /nfs/dbraw/zinc/73/53/96/384735396.db2.gz INBVDWVAPFBTHE-WFASDCNBSA-N 0 0 249.354 2.613 50 0 BFAARN CC(C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000024858679 384743383 /nfs/dbraw/zinc/74/33/83/384743383.db2.gz LSXNVFGLRNDEAW-UHFFFAOYSA-N 0 0 249.310 2.833 50 0 BFAARN CC(C)[C@H](C)CC(=O)N[C@@H]1CCC[C@@H]1C ZINC000084691762 384763016 /nfs/dbraw/zinc/76/30/16/384763016.db2.gz NKVNHQJBZCFEHP-QJPTWQEYSA-N 0 0 211.349 2.973 50 0 BFAARN CO[C@H]1C[C@@H](c2ccccc2)CCC1=O ZINC000146769242 384817846 /nfs/dbraw/zinc/81/78/46/384817846.db2.gz BDWYLSNDWRACPH-AAEUAGOBSA-N 0 0 204.269 2.538 50 0 BFAARN Cc1ccc(C(=O)Nc2ccccc2)o1 ZINC000003115927 384791418 /nfs/dbraw/zinc/79/14/18/384791418.db2.gz FXYWRZAQXKOTLA-UHFFFAOYSA-N 0 0 201.225 2.840 50 0 BFAARN c1cc2c(c(-c3n[nH]c(C4CCC4)n3)c1)OCC2 ZINC000426487382 384838641 /nfs/dbraw/zinc/83/86/41/384838641.db2.gz MTPFJJCIOJGTJA-UHFFFAOYSA-N 0 0 241.294 2.674 50 0 BFAARN C[C@H](C1CC1)n1nccc1NCC1=CCCOC1 ZINC000126982812 384847901 /nfs/dbraw/zinc/84/79/01/384847901.db2.gz AGYUXUBSPWREAU-LLVKDONJSA-N 0 0 247.342 2.613 50 0 BFAARN C[C@H](Nc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000084222797 384848801 /nfs/dbraw/zinc/84/88/01/384848801.db2.gz WAKBBAZGBXXVKE-VIFPVBQESA-N 0 0 239.290 2.968 50 0 BFAARN O=C(c1ncccc1Cl)N1CCCCCC1 ZINC000072243403 384854787 /nfs/dbraw/zinc/85/47/87/384854787.db2.gz UFZWRMXPYVOPHJ-UHFFFAOYSA-N 0 0 238.718 2.751 50 0 BFAARN O=Cc1ccc2c(Br)c[nH]c2c1 ZINC000084326621 384859886 /nfs/dbraw/zinc/85/98/86/384859886.db2.gz JUBYDSVZRYKBTH-UHFFFAOYSA-N 0 0 224.057 2.743 50 0 BFAARN CC(C)(C)c1ccc(C(=O)CC2OCCO2)cc1 ZINC000085652206 384960803 /nfs/dbraw/zinc/96/08/03/384960803.db2.gz IGRIHKAAERSTQV-UHFFFAOYSA-N 0 0 248.322 2.930 50 0 BFAARN CCCc1c(N)cnn1-c1ccc(F)cc1 ZINC000085634252 384955758 /nfs/dbraw/zinc/95/57/58/384955758.db2.gz VIUWBCSXAAOBFA-UHFFFAOYSA-N 0 0 219.263 2.546 50 0 BFAARN Clc1cnc(N2C[C@@H]3CC=CC[C@H]3C2)nc1 ZINC000095406817 384903946 /nfs/dbraw/zinc/90/39/46/384903946.db2.gz VTRUUMDWUOMEEE-UWVGGRQHSA-N 0 0 235.718 2.532 50 0 BFAARN O=C1O[C@@H](NCc2ccccc2)c2ccccc21 ZINC000027662396 384908675 /nfs/dbraw/zinc/90/86/75/384908675.db2.gz SXRNXWZOQUSCJD-CQSZACIVSA-N 0 0 239.274 2.645 50 0 BFAARN C[C@H](NC(=O)c1ccccc1)C(C)(C)C ZINC000012381116 384914338 /nfs/dbraw/zinc/91/43/38/384914338.db2.gz QRGINSCDKUDLSV-JTQLQIEISA-N 0 0 205.301 2.851 50 0 BFAARN COC(=O)c1ccc(F)c2ccccc12 ZINC000095931959 384915062 /nfs/dbraw/zinc/91/50/62/384915062.db2.gz BGKRQQWFGKBQFV-UHFFFAOYSA-N 0 0 204.200 2.766 50 0 BFAARN COC(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000085221042 384927750 /nfs/dbraw/zinc/92/77/50/384927750.db2.gz FSVPWBHNWNRJRL-UHFFFAOYSA-N 0 0 237.255 2.736 50 0 BFAARN O=C1CCc2cc(Br)cc(F)c21 ZINC000085210576 384928765 /nfs/dbraw/zinc/92/87/65/384928765.db2.gz VMPKZIKGIGAVGK-UHFFFAOYSA-N 0 0 229.048 2.717 50 0 BFAARN O=C(c1ccccc1)[C@@H]1N[C@@H]1c1ccccc1 ZINC000057211575 384932085 /nfs/dbraw/zinc/93/20/85/384932085.db2.gz SUHPZGRFOCEHTL-ZIAGYGMSSA-N 0 0 223.275 2.582 50 0 BFAARN Cc1ccc(S[C@@H]2CCCCNC2=O)cc1 ZINC000028202981 384937296 /nfs/dbraw/zinc/93/72/96/384937296.db2.gz HHTKBDYSUTYPCY-GFCCVEGCSA-N 0 0 235.352 2.756 50 0 BFAARN Clc1cccc2[nH]c(Br)nc21 ZINC000085398989 384943179 /nfs/dbraw/zinc/94/31/79/384943179.db2.gz SDGHEODVCAKCMY-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN C[C@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000085423504 384944946 /nfs/dbraw/zinc/94/49/46/384944946.db2.gz CEMXPTOUQBROST-LBPRGKRZSA-N 0 0 240.306 2.502 50 0 BFAARN Cc1n[nH]cc1NC(=O)Nc1ccccc1F ZINC000058014399 384977938 /nfs/dbraw/zinc/97/79/38/384977938.db2.gz PBHNYSNUIAIBGR-UHFFFAOYSA-N 0 0 234.234 2.501 50 0 BFAARN C/C=C/C=C/C(=O)N[C@@H](C)CCc1ccco1 ZINC000058264022 384993706 /nfs/dbraw/zinc/99/37/06/384993706.db2.gz HFTDWUGTWBUTMO-GCYQILFWSA-N 0 0 233.311 2.849 50 0 BFAARN CCN(C)c1ccc(C(=O)N(CC)CC)cc1 ZINC000058357956 385001142 /nfs/dbraw/zinc/00/11/42/385001142.db2.gz LLTUTTXTTAKSEF-UHFFFAOYSA-N 0 0 234.343 2.625 50 0 BFAARN O=c1[nH]c(-c2cccs2)cn1-c1ccccc1 ZINC000061966038 385009977 /nfs/dbraw/zinc/00/99/77/385009977.db2.gz GRMSGOYFLAYQEM-UHFFFAOYSA-N 0 0 242.303 2.894 50 0 BFAARN CCSc1nnc2ccc(C(F)(F)F)cn21 ZINC000058564223 385015039 /nfs/dbraw/zinc/01/50/39/385015039.db2.gz IDFOIDLTQOHGPL-UHFFFAOYSA-N 0 0 247.245 2.860 50 0 BFAARN O=C(/C=C\c1ccncc1)Nc1ccc(F)cc1 ZINC000098054632 385015854 /nfs/dbraw/zinc/01/58/54/385015854.db2.gz OVKHFKLQLOOUJY-BHQIHCQQSA-N 0 0 242.253 2.873 50 0 BFAARN CCCC(CCC)C(=O)CC1OCCO1 ZINC000085652317 384962198 /nfs/dbraw/zinc/96/21/98/384962198.db2.gz PEANQBXDHLQMLW-UHFFFAOYSA-N 0 0 214.305 2.535 50 0 BFAARN Cc1ccc(C(=O)Nc2ccncc2)cc1C ZINC000005330946 385028175 /nfs/dbraw/zinc/02/81/75/385028175.db2.gz KKRFLGDVPLOMDU-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN CC[C@@H](NC(=O)C(C)C)c1ccccc1 ZINC000005337474 385028071 /nfs/dbraw/zinc/02/80/71/385028071.db2.gz NPPODLSBKBLBIM-GFCCVEGCSA-N 0 0 205.301 2.910 50 0 BFAARN Cc1nc(C)c(C(=O)N2CCC[C@@H](C)C2)s1 ZINC000058869173 385031910 /nfs/dbraw/zinc/03/19/10/385031910.db2.gz CZECUQSRDQRTGF-MRVPVSSYSA-N 0 0 238.356 2.632 50 0 BFAARN C[C@@H](NC(=O)c1ccccc1F)C(C)(C)C ZINC000005532111 385038253 /nfs/dbraw/zinc/03/82/53/385038253.db2.gz OGGGVYDWJRJKEB-SECBINFHSA-N 0 0 223.291 2.990 50 0 BFAARN COc1c(Cl)cc(N)cc1Br ZINC000059300065 385042698 /nfs/dbraw/zinc/04/26/98/385042698.db2.gz RGXWSRHXXCULNQ-UHFFFAOYSA-N 0 0 236.496 2.693 50 0 BFAARN Cc1nc(CSc2cc(F)ccc2F)no1 ZINC000057709665 385122440 /nfs/dbraw/zinc/12/24/40/385122440.db2.gz YJRPHIVARLJWAZ-UHFFFAOYSA-N 0 0 242.250 2.949 50 0 BFAARN COCCOc1ccc2nc(Cl)ccc2c1 ZINC000585672088 385133427 /nfs/dbraw/zinc/13/34/27/385133427.db2.gz UHIHLUNRWYWTQA-UHFFFAOYSA-N 0 0 237.686 2.913 50 0 BFAARN Nc1oncc1-c1nc2ccccc2s1 ZINC000032234859 385137962 /nfs/dbraw/zinc/13/79/62/385137962.db2.gz URYWOCYRNYXAKM-UHFFFAOYSA-N 0 0 217.253 2.534 50 0 BFAARN Cc1cc(C(=O)N[C@H](C)c2cccnc2)c(C)o1 ZINC000032819209 385184321 /nfs/dbraw/zinc/18/43/21/385184321.db2.gz WMFOQUZJRAUITQ-SNVBAGLBSA-N 0 0 244.294 2.782 50 0 BFAARN C[C@@H](NC(=O)c1ccsc1)c1cccnc1 ZINC000048325505 385187468 /nfs/dbraw/zinc/18/74/68/385187468.db2.gz LYVZFPRSKJQJHR-SECBINFHSA-N 0 0 232.308 2.634 50 0 BFAARN Nc1c(-c2ccc(Cl)cc2)nc2ncccn12 ZINC000061957797 385148136 /nfs/dbraw/zinc/14/81/36/385148136.db2.gz DNXCYUIJNCTNQD-UHFFFAOYSA-N 0 0 244.685 2.632 50 0 BFAARN Cc1nc(S[C@@H](C)c2ccccc2)n[nH]1 ZINC000012944799 385150720 /nfs/dbraw/zinc/15/07/20/385150720.db2.gz HOFPCLKZCUQAQM-QMMMGPOBSA-N 0 0 219.313 2.966 50 0 BFAARN CCc1ccc(NC(=O)NC2CC2)cc1 ZINC000006731504 385158216 /nfs/dbraw/zinc/15/82/16/385158216.db2.gz RGDPLDSEYQOMNO-UHFFFAOYSA-N 0 0 204.273 2.533 50 0 BFAARN CO[C@@H](C)CCOC(=O)c1ccc(SC)o1 ZINC000096442887 385170073 /nfs/dbraw/zinc/17/00/73/385170073.db2.gz ZKXMVKFSGOGSDB-QMMMGPOBSA-N 0 0 244.312 2.583 50 0 BFAARN Cc1ccc(S[C@@H](C)C(=O)N(C)C)c(C)c1 ZINC000032741647 385180388 /nfs/dbraw/zinc/18/03/88/385180388.db2.gz XXGKXSZOFXPOAH-NSHDSACASA-N 0 0 237.368 2.872 50 0 BFAARN O=C(C1CC1)N1CCCC2(CCCCC2)C1 ZINC000071281205 385218720 /nfs/dbraw/zinc/21/87/20/385218720.db2.gz QASDGGKIRNUREO-UHFFFAOYSA-N 0 0 221.344 2.969 50 0 BFAARN CCCC(=O)N1CCOc2ccc(C)cc21 ZINC000062559650 385220364 /nfs/dbraw/zinc/22/03/64/385220364.db2.gz PAGGVBIPQMYEBO-UHFFFAOYSA-N 0 0 219.284 2.521 50 0 BFAARN O=Cc1ccnc(C(F)(F)F)c1Cl ZINC000095762004 385205890 /nfs/dbraw/zinc/20/58/90/385205890.db2.gz PUINJBDLNMNQBB-UHFFFAOYSA-N 0 0 209.554 2.566 50 0 BFAARN c1ccc2c(c1)CC[C@@H]2Cc1n[nH]c(C2CC2)n1 ZINC000065409257 385305704 /nfs/dbraw/zinc/30/57/04/385305704.db2.gz FQDZGKZKFSHOIU-GFCCVEGCSA-N 0 0 239.322 2.955 50 0 BFAARN Cc1nnc([C@@H](C)Oc2cc(C)ccc2C)[nH]1 ZINC000065407816 385306229 /nfs/dbraw/zinc/30/62/29/385306229.db2.gz LSUQJOSAUUTQHN-SNVBAGLBSA-N 0 0 231.299 2.870 50 0 BFAARN CC[C@H](O)Cn1ccnc1-c1sccc1C ZINC000065399333 385306346 /nfs/dbraw/zinc/30/63/46/385306346.db2.gz QRQKPNMURMHANE-JTQLQIEISA-N 0 0 236.340 2.691 50 0 BFAARN CNc1nc(-c2cccc(C)c2C)ncc1F ZINC000065397632 385307140 /nfs/dbraw/zinc/30/71/40/385307140.db2.gz KHBIAYRAPZNMGD-UHFFFAOYSA-N 0 0 231.274 2.941 50 0 BFAARN Cc1nc(-c2ccc(F)c(Cl)c2)n[nH]1 ZINC000065462096 385313651 /nfs/dbraw/zinc/31/36/51/385313651.db2.gz CDSSGHASRBEUFD-UHFFFAOYSA-N 0 0 211.627 2.573 50 0 BFAARN O=C(CC1CCCCC1)Nc1ccncc1 ZINC000000317524 385278735 /nfs/dbraw/zinc/27/87/35/385278735.db2.gz IZGQDFKSRCNXRD-UHFFFAOYSA-N 0 0 218.300 2.991 50 0 BFAARN CC[C@@H](C(=O)[O-])[N@H+](CC)Cc1ccccc1C ZINC000191403617 385301299 /nfs/dbraw/zinc/30/12/99/385301299.db2.gz ULCWGVAOIRDKFA-ZDUSSCGKSA-N 0 0 235.327 2.680 50 0 BFAARN Cc1cccc(-c2nc([C@H]3CCOC3)no2)c1 ZINC000098019209 385358530 /nfs/dbraw/zinc/35/85/30/385358530.db2.gz RLXULDNFPYEKFN-NSHDSACASA-N 0 0 230.267 2.549 50 0 BFAARN Cc1cc(C)nc(NC(=O)c2ccoc2)c1 ZINC000098020643 385366642 /nfs/dbraw/zinc/36/66/42/385366642.db2.gz AUMHFHDNDDWKLR-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN Cc1ccc(C(C)(C)O)cc1Br ZINC000168718832 385383014 /nfs/dbraw/zinc/38/30/14/385383014.db2.gz NNVVBVHTYORBLL-UHFFFAOYSA-N 0 0 229.117 2.985 50 0 BFAARN CC(=O)c1cccc(C(F)(F)C(F)(F)F)n1 ZINC000169677468 385417284 /nfs/dbraw/zinc/41/72/84/385417284.db2.gz KCNUAVPBVPTCLU-UHFFFAOYSA-N 0 0 239.143 2.938 50 0 BFAARN FC(F)(F)c1ccc(N2CC(F)(F)C2)nc1 ZINC000169725718 385418083 /nfs/dbraw/zinc/41/80/83/385418083.db2.gz HCJRSXMMYWEHKV-UHFFFAOYSA-N 0 0 238.159 2.556 50 0 BFAARN O=Cc1cc(F)ccc1N1CCC(F)(F)CC1 ZINC000169725252 385418186 /nfs/dbraw/zinc/41/81/86/385418186.db2.gz JKBVTBJOSNXQAR-UHFFFAOYSA-N 0 0 243.228 2.874 50 0 BFAARN C[C@H](NC(=O)Nc1ccc(F)cc1F)C1CC1 ZINC000008728706 385503998 /nfs/dbraw/zinc/50/39/98/385503998.db2.gz WNXOUANCFKZCOM-ZETCQYMHSA-N 0 0 240.253 2.885 50 0 BFAARN Cc1cc(C)cc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000003749660 385624770 /nfs/dbraw/zinc/62/47/70/385624770.db2.gz NMUYNXTWYHTYTB-AWEZNQCLSA-N 0 0 247.338 2.600 50 0 BFAARN CC(C)(C)NC(=O)c1cccc2c1CC(C)(C)O2 ZINC000252491477 385651397 /nfs/dbraw/zinc/65/13/97/385651397.db2.gz LNFZTZVLRCQISU-UHFFFAOYSA-N 0 0 247.338 2.928 50 0 BFAARN CC[C@H](NC(=O)c1cccs1)c1nc(C)c[nH]1 ZINC000215606973 385847202 /nfs/dbraw/zinc/84/72/02/385847202.db2.gz AHEGZYYSYXQDQQ-VIFPVBQESA-N 0 0 249.339 2.661 50 0 BFAARN CCc1ccc(CN(C)Cc2cscn2)nc1 ZINC000216176784 385862062 /nfs/dbraw/zinc/86/20/62/385862062.db2.gz QWUSTFSUELLOMY-UHFFFAOYSA-N 0 0 247.367 2.733 50 0 BFAARN c1ccc2nc(-c3cnccn3)ccc2c1 ZINC000001384435 386087571 /nfs/dbraw/zinc/08/75/71/386087571.db2.gz KWPJJKVVKMSWRY-UHFFFAOYSA-N 0 0 207.236 2.692 50 0 BFAARN O=C1c2ccccc2[C@H]2C(=O)c3ccccc3[C@@H]12 ZINC000000393507 386147135 /nfs/dbraw/zinc/14/71/35/386147135.db2.gz IJSLGPMHLYJZSU-ZIAGYGMSSA-N 0 0 234.254 2.947 50 0 BFAARN Nc1cc(OC(F)F)cc(C(F)(F)F)c1 ZINC000263624663 386160295 /nfs/dbraw/zinc/16/02/95/386160295.db2.gz SLQLXGLNPCOANE-UHFFFAOYSA-N 0 0 227.132 2.889 50 0 BFAARN Cc1noc([C@@H](C)Sc2ccccn2)n1 ZINC000040051847 386166146 /nfs/dbraw/zinc/16/61/46/386166146.db2.gz FQBSHSTWIRKLDF-SSDOTTSWSA-N 0 0 221.285 2.626 50 0 BFAARN CCONC(=O)c1sc2ccsc2c1C ZINC000040514013 386215709 /nfs/dbraw/zinc/21/57/09/386215709.db2.gz VXDCCEVSOMCMDU-UHFFFAOYSA-N 0 0 241.337 2.953 50 0 BFAARN COC(=O)c1c(C)cc(F)cc1Br ZINC000098213421 386235883 /nfs/dbraw/zinc/23/58/83/386235883.db2.gz AJLWZNNKJCBLHC-UHFFFAOYSA-N 0 0 247.063 2.683 50 0 BFAARN Nc1cc(C(F)(F)F)cc(C2CC2)n1 ZINC000225392592 386192017 /nfs/dbraw/zinc/19/20/17/386192017.db2.gz JVJWNQGXMSDYDY-UHFFFAOYSA-N 0 0 202.179 2.560 50 0 BFAARN Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000225485430 386198062 /nfs/dbraw/zinc/19/80/62/386198062.db2.gz HKXJPKIRVFZVLZ-UHFFFAOYSA-N 0 0 212.243 2.537 50 0 BFAARN [NH3+]Cc1cc(C(F)(F)F)cc(Cl)c1F ZINC000002382041 386294475 /nfs/dbraw/zinc/29/44/75/386294475.db2.gz IMINUBYBSZMWRS-UHFFFAOYSA-N 0 0 227.588 2.957 50 0 BFAARN O=C(/C=C\c1ccco1)Nc1ccccc1 ZINC000032144028 386591434 /nfs/dbraw/zinc/59/14/34/386591434.db2.gz MCMXBVCCALXJPS-HJWRWDBZSA-N 0 0 213.236 2.932 50 0 BFAARN c1cnc(NCCCOC2CCCCC2)cn1 ZINC000301087637 386539863 /nfs/dbraw/zinc/53/98/63/386539863.db2.gz XWQXNVKQZLMQCX-UHFFFAOYSA-N 0 0 235.331 2.628 50 0 BFAARN C=CC(=O)O[C@H]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1 ZINC000242687329 386547690 /nfs/dbraw/zinc/54/76/90/386547690.db2.gz UFMAVTXURXGNCN-YBXAARCKSA-N 0 0 206.285 2.540 50 0 BFAARN Cc1noc(NCc2ccc(Cl)s2)n1 ZINC000095990343 386563788 /nfs/dbraw/zinc/56/37/88/386563788.db2.gz HSEJFLXDKWGPJR-UHFFFAOYSA-N 0 0 229.692 2.705 50 0 BFAARN CC(=O)c1ccc(NC2=NC[C@H](C)S2)cc1 ZINC000004047798 386687786 /nfs/dbraw/zinc/68/77/86/386687786.db2.gz WENWMLIILWNSTP-QMMMGPOBSA-N 0 0 234.324 2.792 50 0 BFAARN NC(=O)C1(c2cc(F)cc(F)c2)CCCCC1 ZINC000585672378 386694919 /nfs/dbraw/zinc/69/49/19/386694919.db2.gz IWUULBRTMVSWBD-UHFFFAOYSA-N 0 0 239.265 2.652 50 0 BFAARN Cc1ccc(F)cc1-c1ccc(N)nc1 ZINC000052886378 386731598 /nfs/dbraw/zinc/73/15/98/386731598.db2.gz GCMNFEOKZOKLES-UHFFFAOYSA-N 0 0 202.232 2.778 50 0 BFAARN CC[C@H](NCc1nnc(C)o1)c1cccs1 ZINC000184062489 386758200 /nfs/dbraw/zinc/75/82/00/386758200.db2.gz XMZZYSRHXRPGOA-VIFPVBQESA-N 0 0 237.328 2.680 50 0 BFAARN Cc1cc(C)nc(NCCCc2ccccn2)n1 ZINC000269345564 386783674 /nfs/dbraw/zinc/78/36/74/386783674.db2.gz DHTIXHIVPBVTHY-UHFFFAOYSA-N 0 0 242.326 2.533 50 0 BFAARN Cc1ccccc1CN(C)C(=O)c1ccoc1 ZINC000032841534 386835038 /nfs/dbraw/zinc/83/50/38/386835038.db2.gz FQTNPRJDOXXIHN-UHFFFAOYSA-N 0 0 229.279 2.860 50 0 BFAARN Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cn1 ZINC000032895409 386945621 /nfs/dbraw/zinc/94/56/21/386945621.db2.gz LGNLSGRHVQITAO-GFCCVEGCSA-N 0 0 240.306 2.881 50 0 BFAARN CSCC(=O)Nc1ccc(Cl)cc1C ZINC000012976309 387000769 /nfs/dbraw/zinc/00/07/69/387000769.db2.gz GOXXBNPJNXXQJJ-UHFFFAOYSA-N 0 0 229.732 2.950 50 0 BFAARN Cc1nc(CN2CCC[C@@](C)(F)C2)oc1C ZINC000295354684 387116850 /nfs/dbraw/zinc/11/68/50/387116850.db2.gz IWJUGIHMVDXTDD-GFCCVEGCSA-N 0 0 226.295 2.615 50 0 BFAARN O[C@@H]1CCCC[C@H]1OCc1ccccc1 ZINC000034027618 387150645 /nfs/dbraw/zinc/15/06/45/387150645.db2.gz OZOOGFVOCPMNTN-CHWSQXEVSA-N 0 0 206.285 2.507 50 0 BFAARN C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1cccs1 ZINC000032986502 387151920 /nfs/dbraw/zinc/15/19/20/387151920.db2.gz YQRNABVEFVCXDZ-XHNCKOQMSA-N 0 0 209.314 2.581 50 0 BFAARN CC(C)(C)OC(=O)NCc1nc2ccccc2[nH]1 ZINC000054347644 387152263 /nfs/dbraw/zinc/15/22/63/387152263.db2.gz WRAOGDJKTDDORV-UHFFFAOYSA-N 0 0 247.298 2.588 50 0 BFAARN CC(C)(C)OC(=O)NC1(CCO)CCCCC1 ZINC000142428496 387157947 /nfs/dbraw/zinc/15/79/47/387157947.db2.gz CXVSJQCHWDZOEK-UHFFFAOYSA-N 0 0 243.347 2.596 50 0 BFAARN Cc1occc1C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000089540583 387178028 /nfs/dbraw/zinc/17/80/28/387178028.db2.gz MLXYPZDMXDEZDR-TXEJJXNPSA-N 0 0 233.311 2.850 50 0 BFAARN C1CC1c1nsc(N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000089817891 387185416 /nfs/dbraw/zinc/18/54/16/387185416.db2.gz BOWWEOJEOKNNMM-NXEZZACHSA-N 0 0 235.356 2.652 50 0 BFAARN O=c1[nH]c(-c2ccoc2)nc2ccc(Cl)cc12 ZINC000089807113 387186754 /nfs/dbraw/zinc/18/67/54/387186754.db2.gz CAULZMUAHNYKNQ-UHFFFAOYSA-N 0 0 246.653 2.837 50 0 BFAARN CC(C)c1nsc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000089893693 387188138 /nfs/dbraw/zinc/18/81/38/387188138.db2.gz HXLPXGKROWDMMH-AOOOYVTPSA-N 0 0 237.372 2.898 50 0 BFAARN CC(C)c1nsc(NC2CC=CC2)n1 ZINC000089893714 387189820 /nfs/dbraw/zinc/18/98/20/387189820.db2.gz DKLLNKXSFKJHTD-UHFFFAOYSA-N 0 0 209.318 2.792 50 0 BFAARN C[C@H]1Oc2ccccc2CN(C2CCCC2)C1=O ZINC000064542464 387210517 /nfs/dbraw/zinc/21/05/17/387210517.db2.gz AXOLQVMNOJSJJG-LLVKDONJSA-N 0 0 245.322 2.739 50 0 BFAARN Cc1noc(-c2cccn2Cc2ccccc2)n1 ZINC000064551278 387214469 /nfs/dbraw/zinc/21/44/69/387214469.db2.gz XMFPVSWMNAMHDY-UHFFFAOYSA-N 0 0 239.278 2.895 50 0 BFAARN CCc1cc(C(=O)Nc2ccc(C)cc2F)no1 ZINC000064555139 387219255 /nfs/dbraw/zinc/21/92/55/387219255.db2.gz MWURQCTYBRSWTI-UHFFFAOYSA-N 0 0 248.257 2.937 50 0 BFAARN Cc1ccsc1-c1nnc([C@H]2CCOC2)o1 ZINC000064556951 387221397 /nfs/dbraw/zinc/22/13/97/387221397.db2.gz ITIYXMHOAVLMIR-QMMMGPOBSA-N 0 0 236.296 2.610 50 0 BFAARN CCc1cc(C(=O)Nc2ccccc2C)on1 ZINC000064555287 387221430 /nfs/dbraw/zinc/22/14/30/387221430.db2.gz ZGIGQQAQAJMTAQ-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN CCCn1ccc(NC(=O)c2ccccc2)n1 ZINC000064555547 387221571 /nfs/dbraw/zinc/22/15/71/387221571.db2.gz CDLRRNMTTZZLQA-UHFFFAOYSA-N 0 0 229.283 2.545 50 0 BFAARN O=NN1C[C@]23CCC=C[C@@]2(C1)CCCC3 ZINC000005411796 387233480 /nfs/dbraw/zinc/23/34/80/387233480.db2.gz ZXBDLRFZRVQEPX-NWDGAFQWSA-N 0 0 206.289 2.880 50 0 BFAARN C[C@]1(O)C=C[C@H](Cc2ccccc2)CC1 ZINC000045071678 387275311 /nfs/dbraw/zinc/27/53/11/387275311.db2.gz OTDQKHHEHQWPIL-KBPBESRZSA-N 0 0 202.297 2.946 50 0 BFAARN O=C1CC23CC(=O)CC2(C1)CCCCC3 ZINC000045072036 387276241 /nfs/dbraw/zinc/27/62/41/387276241.db2.gz MHQXGKJCVMLCND-UHFFFAOYSA-N 0 0 206.285 2.649 50 0 BFAARN C[C@@]12C[C@H]1CC(C)(C)CCC21OCCO1 ZINC000071785989 387287691 /nfs/dbraw/zinc/28/76/91/387287691.db2.gz CDABDQBRUUFCQK-ZYHUDNBSSA-N 0 0 210.317 2.966 50 0 BFAARN COc1ccc(C[NH2+][C@@H](C)c2c[nH]nc2C)cc1 ZINC000089544460 387304115 /nfs/dbraw/zinc/30/41/15/387304115.db2.gz ANOZBVWVNLGIHZ-JTQLQIEISA-N 0 0 245.326 2.578 50 0 BFAARN C[C@@H](NC(=O)c1ccccn1)c1cccs1 ZINC000012977598 387360749 /nfs/dbraw/zinc/36/07/49/387360749.db2.gz STCCULQAAQBCEF-SECBINFHSA-N 0 0 232.308 2.634 50 0 BFAARN COc1ccccc1NC(=O)Cc1ccsc1 ZINC000006339739 387368121 /nfs/dbraw/zinc/36/81/21/387368121.db2.gz ZSXCAXXBVKWYRT-UHFFFAOYSA-N 0 0 247.319 2.938 50 0 BFAARN C[C@@H]1[C@@]23CC=CC[C@]2(CS1(=O)=O)CCCC3 ZINC000230110750 387329104 /nfs/dbraw/zinc/32/91/04/387329104.db2.gz ZTXAGCGGJCSEOI-UPJWGTAASA-N 0 0 240.368 2.700 50 0 BFAARN C[C@]1(O)C[C@]23CC(=O)C[C@@]2(C1)CCCCC3 ZINC000257357861 387337287 /nfs/dbraw/zinc/33/72/87/387337287.db2.gz QLMZFZMBQRARSY-ZSOGYDGISA-N 0 0 222.328 2.831 50 0 BFAARN C[C@@H](CO)Nc1cc2ccccc2c(Cl)n1 ZINC000091013460 387456143 /nfs/dbraw/zinc/45/61/43/387456143.db2.gz ZONBORXAZKRKDW-QMMMGPOBSA-N 0 0 236.702 2.681 50 0 BFAARN O=C(C1CCCCC1)N1CCC(F)(F)CC1 ZINC000575608041 387396364 /nfs/dbraw/zinc/39/63/64/387396364.db2.gz YVKNECXAZQGXSN-UHFFFAOYSA-N 0 0 231.286 2.824 50 0 BFAARN CC(C)NC(=O)NCc1ccc(-c2ccco2)o1 ZINC000575609513 387406437 /nfs/dbraw/zinc/40/64/37/387406437.db2.gz DAGFDZWUFXZJNT-UHFFFAOYSA-N 0 0 248.282 2.747 50 0 BFAARN O=C(/C=C\c1cccs1)Nc1ccccn1 ZINC000035225413 387503539 /nfs/dbraw/zinc/50/35/39/387503539.db2.gz NCWSGVKUPCRZAI-SREVYHEPSA-N 0 0 230.292 2.795 50 0 BFAARN C[C@@H](NC(=O)c1ccccc1F)c1ccccn1 ZINC000028781099 387537492 /nfs/dbraw/zinc/53/74/92/387537492.db2.gz GVSNKDGHOHRPFM-SNVBAGLBSA-N 0 0 244.269 2.712 50 0 BFAARN Cc1ccc2c(c1)s/c(=N/C(=O)C(C)C)n2C ZINC000100812017 387473575 /nfs/dbraw/zinc/47/35/75/387473575.db2.gz NYSUYSTZXGNEQY-BUHFOSPRSA-N 0 0 248.351 2.632 50 0 BFAARN O=C(c1cccs1)N1Cc2ccccc2C1 ZINC000105981497 387477357 /nfs/dbraw/zinc/47/73/57/387477357.db2.gz BBTHBNZUJBWKRA-UHFFFAOYSA-N 0 0 229.304 2.904 50 0 BFAARN Cc1c(-c2ccncc2)c(C(F)(F)F)nn1C ZINC000426549225 387580848 /nfs/dbraw/zinc/58/08/48/387580848.db2.gz WYKZCODZJMAJTE-UHFFFAOYSA-N 0 0 241.216 2.809 50 0 BFAARN CCOc1cccc(-c2ccnc(CO)c2)c1 ZINC000426623190 387582454 /nfs/dbraw/zinc/58/24/54/387582454.db2.gz IEGDMCKBHZLDTC-UHFFFAOYSA-N 0 0 229.279 2.640 50 0 BFAARN COc1ncccc1-c1cccc2nc(C)cn21 ZINC000426612447 387582947 /nfs/dbraw/zinc/58/29/47/387582947.db2.gz BCMCGZZZGKZGNY-UHFFFAOYSA-N 0 0 239.278 2.713 50 0 BFAARN CN(C)c1ccccc1-c1ccc(CCO)cc1 ZINC000426690380 387586348 /nfs/dbraw/zinc/58/63/48/387586348.db2.gz ZQKUSNYPRPDKLK-UHFFFAOYSA-N 0 0 241.334 2.954 50 0 BFAARN Cc1ccc2[nH]cc(-c3cnc4nncn4c3)c2c1 ZINC000426361285 387561055 /nfs/dbraw/zinc/56/10/55/387561055.db2.gz MSHRECCPDKJIEF-UHFFFAOYSA-N 0 0 249.277 2.581 50 0 BFAARN CCc1nc(-c2cccc(OC(C)C)c2)n(C)n1 ZINC000426383321 387562681 /nfs/dbraw/zinc/56/26/81/387562681.db2.gz PYFJBZBMHSLYKH-UHFFFAOYSA-N 0 0 245.326 2.832 50 0 BFAARN Cc1ccc(-c2ccc(N(C)C)nc2)nc1C ZINC000426415656 387566502 /nfs/dbraw/zinc/56/65/02/387566502.db2.gz SJQNVLLUBODUJJ-UHFFFAOYSA-N 0 0 227.311 2.826 50 0 BFAARN CC(C)CC(=O)NCc1cc(F)ccc1F ZINC000074987202 387569900 /nfs/dbraw/zinc/56/99/00/387569900.db2.gz QFZRDCHDNJODNF-UHFFFAOYSA-N 0 0 227.254 2.627 50 0 BFAARN Cc1ccc(C)c(OCCn2ccnc2)c1 ZINC000000431552 387691770 /nfs/dbraw/zinc/69/17/70/387691770.db2.gz KNUNBYRXGBIQHS-UHFFFAOYSA-N 0 0 216.284 2.579 50 0 BFAARN CC/C=C(\C)C(=O)NCc1cccs1 ZINC000046042149 387734388 /nfs/dbraw/zinc/73/43/88/387734388.db2.gz XOHWFURTEBTKII-WEVVVXLNSA-N 0 0 209.314 2.721 50 0 BFAARN Cc1cc(C)cc(-c2nnc([C@@H]3CCOC3)o2)c1 ZINC000064556939 177889541 /nfs/dbraw/zinc/88/95/41/177889541.db2.gz CXBPDNBYFQBXGG-LLVKDONJSA-N 0 0 244.294 2.857 50 0 BFAARN CCONC(=O)c1occc1-c1ccccc1 ZINC000030891651 387780148 /nfs/dbraw/zinc/78/01/48/387780148.db2.gz URWYGZKARNWHSP-UHFFFAOYSA-N 0 0 231.251 2.628 50 0 BFAARN Cc1c(C=O)c2cc(C)cc(C)c2n1C ZINC000006677774 177883514 /nfs/dbraw/zinc/88/35/14/177883514.db2.gz TXIBTXYJSUNNKP-UHFFFAOYSA-N 0 0 201.269 2.916 50 0 BFAARN Cc1cc(C)c2c(c1)[C@@H](O)CC(C)(C)O2 ZINC000005724788 177883311 /nfs/dbraw/zinc/88/33/11/177883311.db2.gz BBHBEYHXGFQONF-NSHDSACASA-N 0 0 206.285 2.898 50 0 BFAARN CCN(C)C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000190664032 387847439 /nfs/dbraw/zinc/84/74/39/387847439.db2.gz CWQCWLPYGQBHOX-UHFFFAOYSA-N 0 0 249.207 2.936 50 0 BFAARN COC(=O)c1ccc(C(F)(F)F)s1 ZINC000098214277 387851647 /nfs/dbraw/zinc/85/16/47/387851647.db2.gz KMGATTBDJVDZLC-UHFFFAOYSA-N 0 0 210.176 2.554 50 0 BFAARN Cc1cc(C)c(C(=O)N2CCCC2)c(C)c1 ZINC000006699382 177841480 /nfs/dbraw/zinc/84/14/80/177841480.db2.gz VKRRGPAFNZGKMR-UHFFFAOYSA-N 0 0 217.312 2.848 50 0 BFAARN COC(=O)c1c(N)sc2c1[C@@H](C)CCC2 ZINC000041046538 387934722 /nfs/dbraw/zinc/93/47/22/387934722.db2.gz MVOUVXSTAVRDDX-LURJTMIESA-N 0 0 225.313 2.557 50 0 BFAARN CC(C)c1noc([C@@H](C)N2CCC[C@H](C)C2)n1 ZINC000225259608 387940813 /nfs/dbraw/zinc/94/08/13/387940813.db2.gz HFWHMCDWWQQOCP-WDEREUQCSA-N 0 0 237.347 2.986 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)c2cccnc2)[C@H]1C ZINC000245253953 387943158 /nfs/dbraw/zinc/94/31/58/387943158.db2.gz UYTYXXIMPJCQLO-MDZLAQPJSA-N 0 0 232.327 2.636 50 0 BFAARN Fc1ccc(Cl)c(O[C@@H]2CCOC2)c1 ZINC000306187046 388022865 /nfs/dbraw/zinc/02/28/65/388022865.db2.gz NRDPLHGSNZBOQE-MRVPVSSYSA-N 0 0 216.639 2.647 50 0 BFAARN Cc1noc(C)c1CN(C)[C@H](C)c1ccncc1 ZINC000065504317 388037325 /nfs/dbraw/zinc/03/73/25/388037325.db2.gz FKNFOYKNEJBAEB-LLVKDONJSA-N 0 0 245.326 2.879 50 0 BFAARN CSc1ccc(NC(N)=O)cc1Cl ZINC000083992932 388068860 /nfs/dbraw/zinc/06/88/60/388068860.db2.gz KRZBAJKMEOBTQE-UHFFFAOYSA-N 0 0 216.693 2.553 50 0 BFAARN CCc1ccccc1NC(=S)NC(C)C ZINC000007350555 388085340 /nfs/dbraw/zinc/08/53/40/388085340.db2.gz VOEKNVNEQIWJCT-UHFFFAOYSA-N 0 0 222.357 2.944 50 0 BFAARN Cc1nc(-c2ccncc2)sc1-c1cc[nH]n1 ZINC000169225176 388086207 /nfs/dbraw/zinc/08/62/07/388086207.db2.gz RDOCHCMRZJNXDF-UHFFFAOYSA-N 0 0 242.307 2.904 50 0 BFAARN CCN(C)C(=O)c1sccc1C(C)C ZINC000065590404 388098900 /nfs/dbraw/zinc/09/89/00/388098900.db2.gz LDCMTNJECDHUKR-UHFFFAOYSA-N 0 0 211.330 2.963 50 0 BFAARN Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)on1 ZINC000036697999 388257008 /nfs/dbraw/zinc/25/70/08/388257008.db2.gz LSVCYSNNHWCCBQ-SNVBAGLBSA-N 0 0 242.278 2.574 50 0 BFAARN CSc1cc(O)ccc1NC(=O)CC1CC1 ZINC000170612289 388257469 /nfs/dbraw/zinc/25/74/69/388257469.db2.gz DWQHEACFQCCCKY-UHFFFAOYSA-N 0 0 237.324 2.853 50 0 BFAARN COc1ncccc1N[C@@H](C)c1cncc(F)c1 ZINC000170067557 388257734 /nfs/dbraw/zinc/25/77/34/388257734.db2.gz FYDIIUXSSQMWGS-VIFPVBQESA-N 0 0 247.273 2.797 50 0 BFAARN Cc1ccc(F)cc1NC(=O)c1ccc[nH]1 ZINC000170102695 388258574 /nfs/dbraw/zinc/25/85/74/388258574.db2.gz PPKRQAMKQGJWNA-UHFFFAOYSA-N 0 0 218.231 2.715 50 0 BFAARN Brc1ncccc1OCC1CC1 ZINC000083454670 256561385 /nfs/dbraw/zinc/56/13/85/256561385.db2.gz FFVJETWNRRHOSV-UHFFFAOYSA-N 0 0 228.089 2.633 50 0 BFAARN CCCc1nccn1-c1ccc([C@H](C)O)cc1 ZINC000065383156 388260410 /nfs/dbraw/zinc/26/04/10/388260410.db2.gz RGYJQOQXAIRAPL-NSHDSACASA-N 0 0 230.311 2.878 50 0 BFAARN CCCc1nccn1-c1ccc([C@@H](C)O)cc1 ZINC000065383155 388260458 /nfs/dbraw/zinc/26/04/58/388260458.db2.gz RGYJQOQXAIRAPL-LLVKDONJSA-N 0 0 230.311 2.878 50 0 BFAARN Cc1occc1SCC(=O)c1cccn1C ZINC000131326468 388344738 /nfs/dbraw/zinc/34/47/38/388344738.db2.gz MCMUTYMHGRJEGO-UHFFFAOYSA-N 0 0 235.308 2.902 50 0 BFAARN c1ccc2oc(NCc3cccnc3)nc2c1 ZINC000029225335 388354042 /nfs/dbraw/zinc/35/40/42/388354042.db2.gz BCBIRIYQCHRGRP-UHFFFAOYSA-N 0 0 225.251 2.835 50 0 BFAARN Cc1cc(C)nc(N=NCc2ccsc2)n1 ZINC000254762173 388360345 /nfs/dbraw/zinc/36/03/45/388360345.db2.gz MIBCUYUFCSSYSS-UHFFFAOYSA-N 0 0 232.312 2.601 50 0 BFAARN Cc1ccc(Sc2ccc(=O)[nH]n2)cc1 ZINC000057531704 388362579 /nfs/dbraw/zinc/36/25/79/388362579.db2.gz YAIJLCYHIOGWJG-UHFFFAOYSA-N 0 0 218.281 2.642 50 0 BFAARN Cc1csc(N(C(=O)[C@@H]2C[C@@H]2C)C2CC2)n1 ZINC000089705678 388362861 /nfs/dbraw/zinc/36/28/61/388362861.db2.gz PYSKWZIICCLNKU-OIBJUYFYSA-N 0 0 236.340 2.603 50 0 BFAARN O=C(c1cc2cc(F)ccc2o1)N1CCCC1 ZINC000089807258 388367927 /nfs/dbraw/zinc/36/79/27/388367927.db2.gz IENAUIUTVKXPLC-UHFFFAOYSA-N 0 0 233.242 2.808 50 0 BFAARN COC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl ZINC000004199691 388393851 /nfs/dbraw/zinc/39/38/51/388393851.db2.gz PRDLECAGOIAWMW-SNVBAGLBSA-N 0 0 245.105 2.675 50 0 BFAARN Cc1ccncc1NC(=O)c1ccc(F)cc1F ZINC000071847600 388446680 /nfs/dbraw/zinc/44/66/80/388446680.db2.gz HDXLVJPBDDMPMK-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN Cc1nnc([C@H](C)Oc2ccccc2F)o1 ZINC000071849901 388446683 /nfs/dbraw/zinc/44/66/83/388446683.db2.gz YDYOLBCZUHTOQZ-ZETCQYMHSA-N 0 0 222.219 2.657 50 0 BFAARN O=C(c1ccc(Cl)s1)N1CCSC1 ZINC000071847166 388446711 /nfs/dbraw/zinc/44/67/11/388446711.db2.gz JZNZRZXDONSZHW-UHFFFAOYSA-N 0 0 233.745 2.548 50 0 BFAARN Cc1cc(C)c2c(nn3c2nc(C)cc3C)n1 ZINC000002214177 388465148 /nfs/dbraw/zinc/46/51/48/388465148.db2.gz BKXJSBVYQKFLCB-UHFFFAOYSA-N 0 0 226.283 2.511 50 0 BFAARN Cc1cc2c(ncnc2N2CCCCC2)s1 ZINC000002877187 388481516 /nfs/dbraw/zinc/48/15/16/388481516.db2.gz AIYBCPTUPJMHRO-UHFFFAOYSA-N 0 0 233.340 2.990 50 0 BFAARN CCSc1nnc(Cc2ccccc2F)o1 ZINC000067954500 388408447 /nfs/dbraw/zinc/40/84/47/388408447.db2.gz RRNPDZXGBNTOOQ-UHFFFAOYSA-N 0 0 238.287 2.912 50 0 BFAARN Cc1cc(C(=O)N2CCCCC2)c(C)o1 ZINC000016602420 177751635 /nfs/dbraw/zinc/75/16/35/177751635.db2.gz GFKVFACASMCVNJ-UHFFFAOYSA-N 0 0 207.273 2.523 50 0 BFAARN O=C1[C@H]2Cc3ccccc3[C@H]2C1(Cl)Cl ZINC000000159170 388414632 /nfs/dbraw/zinc/41/46/32/388414632.db2.gz KAGZBEUEDMPZCQ-DTWKUNHWSA-N 0 0 227.090 2.699 50 0 BFAARN Cc1noc([C@@H](C)Oc2ccc(F)cc2)n1 ZINC000069618043 388421839 /nfs/dbraw/zinc/42/18/39/388421839.db2.gz NOKNZLOSMFKCDH-SSDOTTSWSA-N 0 0 222.219 2.657 50 0 BFAARN C[C@@H](NC(=O)Nc1ccccc1)c1ccccn1 ZINC000009220269 388424017 /nfs/dbraw/zinc/42/40/17/388424017.db2.gz BVBLXMIDAMCQJA-LLVKDONJSA-N 0 0 241.294 2.964 50 0 BFAARN C[C@H](NC(=O)NCc1ccccc1)c1ccco1 ZINC000009218334 388424134 /nfs/dbraw/zinc/42/41/34/388424134.db2.gz ZWPZUFCAHLSMCI-NSHDSACASA-N 0 0 244.294 2.840 50 0 BFAARN O=C(OC1CCCC1)[C@@H]1CCCc2cccnc21 ZINC000193764286 388426608 /nfs/dbraw/zinc/42/66/08/388426608.db2.gz LDJHFFNMLXHEBQ-CYBMUJFWSA-N 0 0 245.322 2.987 50 0 BFAARN Cn1cc(-c2nc(-c3cccn3C)cs2)cn1 ZINC000193756409 388426791 /nfs/dbraw/zinc/42/67/91/388426791.db2.gz FQEINVMCKCHNMK-UHFFFAOYSA-N 0 0 244.323 2.549 50 0 BFAARN C[C@H](NC(=O)Nc1cccnc1)c1ccccc1 ZINC000009322786 388429319 /nfs/dbraw/zinc/42/93/19/388429319.db2.gz BXBCZJPQWYKLQS-NSHDSACASA-N 0 0 241.294 2.964 50 0 BFAARN Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)on1 ZINC000045082183 177744505 /nfs/dbraw/zinc/74/45/05/177744505.db2.gz YSMXNWHZMCBZDH-ONGXEEELSA-N 0 0 236.315 2.634 50 0 BFAARN COC(C)(C)c1nc(-c2cccs2)no1 ZINC000195578627 388499412 /nfs/dbraw/zinc/49/94/12/388499412.db2.gz MRVHKDCUCUVGTM-UHFFFAOYSA-N 0 0 224.285 2.680 50 0 BFAARN C[C@H]1c2cccn2CCN1C(=O)C[C@H]1C=CCC1 ZINC000032753039 388518180 /nfs/dbraw/zinc/51/81/80/388518180.db2.gz GMRLOLOEEYTORO-STQMWFEESA-N 0 0 244.338 2.748 50 0 BFAARN Cc1nc(-c2ccccc2)ccc1C(=O)N(C)C ZINC000006825120 388527554 /nfs/dbraw/zinc/52/75/54/388527554.db2.gz ROGSHUQQOHZHDY-UHFFFAOYSA-N 0 0 240.306 2.759 50 0 BFAARN Cc1noc(C(=O)Nc2ccccc2C(C)C)n1 ZINC000253420296 388592083 /nfs/dbraw/zinc/59/20/83/388592083.db2.gz HEZXAKSPTRXNDA-UHFFFAOYSA-N 0 0 245.282 2.754 50 0 BFAARN CC(C)(C)c1cc2nc(C(C)(C)C)cc(N)n2n1 ZINC000105887987 388594202 /nfs/dbraw/zinc/59/42/02/388594202.db2.gz QDLOHFWERGXWDA-UHFFFAOYSA-N 0 0 246.358 2.737 50 0 BFAARN c1ccc2oc(N3CCCCC3)nc2c1 ZINC000000180000 388572723 /nfs/dbraw/zinc/57/27/23/388572723.db2.gz ZSBQPJZYLMTSLO-UHFFFAOYSA-N 0 0 202.257 2.818 50 0 BFAARN CC(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC000081459972 388576321 /nfs/dbraw/zinc/57/63/21/388576321.db2.gz VVIIJGQLBSLIKK-UHFFFAOYSA-N 0 0 241.290 2.941 50 0 BFAARN Cc1[nH]nc2nc(-c3ccccc3)nc(C)c12 ZINC000028444101 388682895 /nfs/dbraw/zinc/68/28/95/388682895.db2.gz XQPCOAAVYHMMPJ-UHFFFAOYSA-N 0 0 224.267 2.637 50 0 BFAARN FC(F)Oc1ccc(C(F)(F)F)cn1 ZINC000091362277 388628307 /nfs/dbraw/zinc/62/83/07/388628307.db2.gz IMVNNCWNERPLNP-UHFFFAOYSA-N 0 0 213.105 2.702 50 0 BFAARN Cc1cc(=O)oc2cc(Br)ccc12 ZINC000012062830 177720471 /nfs/dbraw/zinc/72/04/71/177720471.db2.gz VRLDNEKULNVMFD-UHFFFAOYSA-N 0 0 239.068 2.864 50 0 BFAARN Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@@H]3C2)[nH]1 ZINC000089568582 388737916 /nfs/dbraw/zinc/73/79/16/388737916.db2.gz MDVSEXXHKZAOHL-TXEJJXNPSA-N 0 0 232.327 2.504 50 0 BFAARN O=C(C1CCCC1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000089818009 388740613 /nfs/dbraw/zinc/74/06/13/388740613.db2.gz CPAXREDCEZYJJO-AAEUAGOBSA-N 0 0 221.344 2.968 50 0 BFAARN Cn1c2cc(F)ccc2nc1-c1ccccn1 ZINC000089745611 388740745 /nfs/dbraw/zinc/74/07/45/388740745.db2.gz FAESZQVEDYHYBG-UHFFFAOYSA-N 0 0 227.242 2.774 50 0 BFAARN C[C@H](NCc1ccon1)c1ccccc1N(C)C ZINC000093946501 388747667 /nfs/dbraw/zinc/74/76/67/388747667.db2.gz APDXKJJGXKYGBB-NSHDSACASA-N 0 0 245.326 2.591 50 0 BFAARN Oc1ccccc1C=NNc1ccccc1 ZINC000254413453 388747729 /nfs/dbraw/zinc/74/77/29/388747729.db2.gz SERARPRVBWDEBA-UHFFFAOYSA-N 0 0 212.252 2.838 50 0 BFAARN COC(C)(C)CNc1ccc(OC(F)F)cn1 ZINC000094169246 388750938 /nfs/dbraw/zinc/75/09/38/388750938.db2.gz LYBJKHJIUJNCEW-UHFFFAOYSA-N 0 0 246.257 2.520 50 0 BFAARN O=Cc1cccc(F)c1OCC(F)(F)F ZINC000159490151 388699705 /nfs/dbraw/zinc/69/97/05/388699705.db2.gz HOZSGAKRDRTJAB-UHFFFAOYSA-N 0 0 222.137 2.579 50 0 BFAARN CC(C)CCC1CC[NH+]([C@H](C)C(=O)[O-])CC1 ZINC000225455596 388702286 /nfs/dbraw/zinc/70/22/86/388702286.db2.gz PYTXFCKOCWNVEQ-LLVKDONJSA-N 0 0 227.348 2.608 50 0 BFAARN CC[C@]1(C)C[C@]2(C=C[C@H](O)CC2)CCO1 ZINC000012656528 388722527 /nfs/dbraw/zinc/72/25/27/388722527.db2.gz MEELPUOSODYWIN-XQQFMLRXSA-N 0 0 210.317 2.663 50 0 biogenic BFAARN CC(=O)c1c[nH]c(C(=O)Nc2cccc(F)c2)c1 ZINC000007944846 388723096 /nfs/dbraw/zinc/72/30/96/388723096.db2.gz YBQJEFOTTRFRNW-UHFFFAOYSA-N 0 0 246.241 2.609 50 0 BFAARN Fc1ccc(Cn2ccc(Cl)n2)cc1 ZINC000095941886 388791938 /nfs/dbraw/zinc/79/19/38/388791938.db2.gz UVEOINDRBQRNAR-UHFFFAOYSA-N 0 0 210.639 2.724 50 0 BFAARN CSc1nc(-c2ccccc2)cn1CCCO ZINC000095988717 388799704 /nfs/dbraw/zinc/79/97/04/388799704.db2.gz QILSXGHLDADMQN-UHFFFAOYSA-N 0 0 248.351 2.654 50 0 BFAARN CC(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000096119775 388808076 /nfs/dbraw/zinc/80/80/76/388808076.db2.gz AGMNVCCGIPLFJH-CYBMUJFWSA-N 0 0 235.302 2.942 50 0 BFAARN COc1cc(F)ccc1N(C)Cc1ccncc1 ZINC000095401537 388766470 /nfs/dbraw/zinc/76/64/70/388766470.db2.gz QPEIXEPTDDNZCP-UHFFFAOYSA-N 0 0 246.285 2.866 50 0 BFAARN Cc1ccc(C(=O)N[C@@H](C)c2ccncc2)s1 ZINC000027405058 388766974 /nfs/dbraw/zinc/76/69/74/388766974.db2.gz IBYRECJFVAEECL-JTQLQIEISA-N 0 0 246.335 2.943 50 0 BFAARN Cc1c(COC(C)C)cccc1NCCCO ZINC000095412016 388767460 /nfs/dbraw/zinc/76/74/60/388767460.db2.gz SBTWMAHKERYEOI-UHFFFAOYSA-N 0 0 237.343 2.714 50 0 BFAARN CSC[C@@H](C)C(=O)NC/C=C\c1ccccc1 ZINC000096457125 388819088 /nfs/dbraw/zinc/81/90/88/388819088.db2.gz ODSDBFBXTHXLPS-OJIASSBASA-N 0 0 249.379 2.815 50 0 BFAARN C[C@@](O)(CNc1ncccc1F)C1CCCC1 ZINC000096460537 388820143 /nfs/dbraw/zinc/82/01/43/388820143.db2.gz FTFCBGPPKMZIPK-CYBMUJFWSA-N 0 0 238.306 2.574 50 0 BFAARN Cc1noc(NCc2ccc(Cl)c(F)c2)n1 ZINC000096494468 388821905 /nfs/dbraw/zinc/82/19/05/388821905.db2.gz MVCHEKKYRBGEIH-UHFFFAOYSA-N 0 0 241.653 2.783 50 0 BFAARN c1sc(NC2CCCC2)nc1-c1cnccn1 ZINC000283857269 388826679 /nfs/dbraw/zinc/82/66/79/388826679.db2.gz IDHZCPGXEUIZOS-UHFFFAOYSA-N 0 0 246.339 2.955 50 0 BFAARN C[C@@H]1C[C@@H]1c1ccc(C=C2SC(=O)NC2=O)o1 ZINC000096920954 388828572 /nfs/dbraw/zinc/82/85/72/388828572.db2.gz FSWLCORFLUTWKN-YTMPCORTSA-N 0 0 249.291 2.727 50 0 BFAARN c1ccc(NCCC[C@H]2CCCCO2)nc1 ZINC000302238580 388840622 /nfs/dbraw/zinc/84/06/22/388840622.db2.gz WTOHKZDVOKYSDO-GFCCVEGCSA-N 0 0 220.316 2.843 50 0 BFAARN C[C@H]1SCCN1C(=O)Nc1ccccc1 ZINC000028232219 388847933 /nfs/dbraw/zinc/84/79/33/388847933.db2.gz KWXIMEFYCLPUIQ-SECBINFHSA-N 0 0 222.313 2.613 50 0 BFAARN Cc1cc(-c2ccccc2C=O)sn1 ZINC000091696002 177686904 /nfs/dbraw/zinc/68/69/04/177686904.db2.gz FUSVOGFHOYMVLN-UHFFFAOYSA-N 0 0 203.266 2.931 50 0 BFAARN Cc1cc(C(=O)C(C)(C)NO)ccc1Cl ZINC000000454571 224471446 /nfs/dbraw/zinc/47/14/46/224471446.db2.gz KRBDGGPWMWGJMQ-UHFFFAOYSA-N 0 0 227.691 2.589 50 0 BFAARN CCN(C)C(=O)NCCc1ccccc1Cl ZINC000071892316 169683057 /nfs/dbraw/zinc/68/30/57/169683057.db2.gz RLEUOSLJIBIDCE-UHFFFAOYSA-N 0 0 240.734 2.544 50 0 BFAARN O=C(c1ccsc1)N1CCOc2ccccc21 ZINC000036763856 132295067 /nfs/dbraw/zinc/29/50/67/132295067.db2.gz MKZXHQGKPBYPMP-UHFFFAOYSA-N 0 0 245.303 2.787 50 0 BFAARN CC(=O)c1cc(N2CCC[C@@H](C)C2)ccc1N ZINC000008730159 132319255 /nfs/dbraw/zinc/31/92/55/132319255.db2.gz BWFZBTKGMUYYLX-SNVBAGLBSA-N 0 0 232.327 2.708 50 0 BFAARN CC1CCN(c2nc(Cl)ncc2F)CC1 ZINC000009234431 132319398 /nfs/dbraw/zinc/31/93/98/132319398.db2.gz CRFXKROHROWMGN-UHFFFAOYSA-N 0 0 229.686 2.505 50 0 BFAARN Nc1ccc(N2CCCc3ccccc32)nc1 ZINC000011568720 132319400 /nfs/dbraw/zinc/31/94/00/132319400.db2.gz QPGPWDYYRQUBJT-UHFFFAOYSA-N 0 0 225.295 2.748 50 0 BFAARN C[C@H]1c2ccsc2CCN1c1ncccn1 ZINC000012921214 132321668 /nfs/dbraw/zinc/32/16/68/132321668.db2.gz WPYXLHXCGISKEO-VIFPVBQESA-N 0 0 231.324 2.662 50 0 BFAARN Nc1ccc(N2CCc3ccccc3C2)c(F)c1 ZINC000020135716 132330070 /nfs/dbraw/zinc/33/00/70/132330070.db2.gz ARBPHFUDGVSPAY-UHFFFAOYSA-N 0 0 242.297 2.971 50 0 BFAARN Cc1cc(CN2C[C@@H](C)Oc3ccccc32)no1 ZINC000071897396 132395266 /nfs/dbraw/zinc/39/52/66/132395266.db2.gz LVNFEYDGPQCSGX-LLVKDONJSA-N 0 0 244.294 2.771 50 0 BFAARN C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1CCCO1 ZINC000072495973 132397214 /nfs/dbraw/zinc/39/72/14/132397214.db2.gz KUCSYKALFJGRFM-RISCZKNCSA-N 0 0 245.322 2.533 50 0 BFAARN O=C(Nc1ccc2ccccc2n1)C1CC1 ZINC000032731989 133745426 /nfs/dbraw/zinc/74/54/26/133745426.db2.gz YHMUXXWZWDQKMK-UHFFFAOYSA-N 0 0 212.252 2.583 50 0 BFAARN COC1CCC(Nc2cccc(CO)c2)CC1 ZINC000129927239 134614714 /nfs/dbraw/zinc/61/47/14/134614714.db2.gz MTYIWFKCHZOQSV-UHFFFAOYSA-N 0 0 235.327 2.548 50 0 BFAARN C[C@H](c1ccc(F)cc1)N1CCO[C@H](C)C1 ZINC000249115399 135033532 /nfs/dbraw/zinc/03/35/32/135033532.db2.gz QQULBPAWSHVMCJ-GHMZBOCLSA-N 0 0 223.291 2.607 50 0 BFAARN Cc1nc(-c2ccco2)ccc1C(=O)NC(C)C ZINC000257173568 135131466 /nfs/dbraw/zinc/13/14/66/135131466.db2.gz QXWWWYNFIZMGOU-UHFFFAOYSA-N 0 0 244.294 2.788 50 0 BFAARN Cc1ccccc1C(=O)NC1(C(F)F)CC1 ZINC000334335177 135362922 /nfs/dbraw/zinc/36/29/22/135362922.db2.gz ZSYIDWAPVHZDTG-UHFFFAOYSA-N 0 0 225.238 2.523 50 0 BFAARN O=C(NC1CCC(F)(F)CC1)c1ccoc1 ZINC000334464531 135423548 /nfs/dbraw/zinc/42/35/48/135423548.db2.gz SQLUQZSVOOCYDI-UHFFFAOYSA-N 0 0 229.226 2.587 50 0 BFAARN Cc1nc([C@H](C)Oc2ccccc2F)no1 ZINC000334936963 135845459 /nfs/dbraw/zinc/84/54/59/135845459.db2.gz YEVWCWRVGJETEN-ZETCQYMHSA-N 0 0 222.219 2.657 50 0 BFAARN CC(C)CC(=O)N1CCC(C(F)F)CC1 ZINC000335331546 136053797 /nfs/dbraw/zinc/05/37/97/136053797.db2.gz JZVJWQIMDSQTNP-UHFFFAOYSA-N 0 0 219.275 2.536 50 0 BFAARN Brc1nccc(-c2ccccc2)n1 ZINC000008381695 397934153 /nfs/dbraw/zinc/93/41/53/397934153.db2.gz WNGLZNXUEONFOH-UHFFFAOYSA-N 0 0 235.084 2.906 50 0 BFAARN Clc1ccccc1OCCn1ccnc1 ZINC000000433334 397914687 /nfs/dbraw/zinc/91/46/87/397914687.db2.gz QDDVZLYUUMSBEC-UHFFFAOYSA-N 0 0 222.675 2.616 50 0 BFAARN O=Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000034956912 398017797 /nfs/dbraw/zinc/01/77/97/398017797.db2.gz GUUKJWRMPVVNOL-UHFFFAOYSA-N 0 0 212.208 2.635 50 0 BFAARN Cc1cc(Br)cc(C=O)c1F ZINC000065337170 398083072 /nfs/dbraw/zinc/08/30/72/398083072.db2.gz JKHVNWUVFDFSAZ-UHFFFAOYSA-N 0 0 217.037 2.709 50 0 BFAARN CC(C)CSc1ncc(Br)cn1 ZINC000065337509 398083115 /nfs/dbraw/zinc/08/31/15/398083115.db2.gz QKOBLHJEXDEJHR-UHFFFAOYSA-N 0 0 247.161 2.987 50 0 BFAARN Cc1nc(-c2ccc(-c3cnco3)cc2)no1 ZINC000602993640 398085732 /nfs/dbraw/zinc/08/57/32/398085732.db2.gz KMAKCGXAFAQPKT-UHFFFAOYSA-N 0 0 227.223 2.700 50 0 BFAARN Cn1cc(C(=O)c2cc[nH]c2)c2ccccc21 ZINC000039150221 322894318 /nfs/dbraw/zinc/89/43/18/322894318.db2.gz CPGDZUGIBQACKG-UHFFFAOYSA-N 0 0 224.263 2.737 50 0 BFAARN Clc1cccc(Cn2cc(C3CC3)nn2)c1 ZINC000585362095 487583667 /nfs/dbraw/zinc/58/36/67/487583667.db2.gz JXRCYWDJZQXYDC-UHFFFAOYSA-N 0 0 233.702 2.857 50 0 BFAARN CCN(C(=O)c1ccc(Cl)cc1)C1CC1 ZINC000040496370 409822623 /nfs/dbraw/zinc/82/26/23/409822623.db2.gz ZLQNTQTULDCDKL-UHFFFAOYSA-N 0 0 223.703 2.965 50 0 BFAARN Brc1c[nH]cc1Br ZINC000002518962 166096175 /nfs/dbraw/zinc/09/61/75/166096175.db2.gz REBMNRMQTSWMMI-UHFFFAOYSA-N 0 0 224.883 2.540 50 0 BFAARN Brc1ccc(Cn2cccn2)cc1 ZINC000044137739 166097640 /nfs/dbraw/zinc/09/76/40/166097640.db2.gz JWKUEIBUDOSNAH-UHFFFAOYSA-N 0 0 237.100 2.694 50 0 BFAARN Brc1ccc([C@@H]2CCOC2)cc1 ZINC000072193145 166100242 /nfs/dbraw/zinc/10/02/42/166100242.db2.gz JAVFDQBREKPGPG-SECBINFHSA-N 0 0 227.101 2.953 50 0 BFAARN Brc1cccc(-c2ccncc2)n1 ZINC000034087116 166101069 /nfs/dbraw/zinc/10/10/69/166101069.db2.gz IXUHRYXJBJYQTQ-UHFFFAOYSA-N 0 0 235.084 2.906 50 0 BFAARN Brc1cccc(OC2CC2)c1 ZINC000076914426 166101436 /nfs/dbraw/zinc/10/14/36/166101436.db2.gz VPUIIGWUFQSOQM-UHFFFAOYSA-N 0 0 213.074 2.990 50 0 BFAARN CCN(CC)C(=O)C1(c2ccccc2)CCC1 ZINC000041500084 169744748 /nfs/dbraw/zinc/74/47/48/169744748.db2.gz RFCGRDDIVLYQGR-UHFFFAOYSA-N 0 0 231.339 2.977 50 0 BFAARN C(=C/Cn1ccnc1)\COc1ccccc1 ZINC000016623789 166225351 /nfs/dbraw/zinc/22/53/51/166225351.db2.gz KCQSEJGTEHINMX-SNAWJCMRSA-N 0 0 214.268 2.518 50 0 BFAARN CCN(CC)C(=O)c1cccc(C)c1C ZINC000034612530 169761125 /nfs/dbraw/zinc/76/11/25/169761125.db2.gz SMVYLWURFNYXTP-UHFFFAOYSA-N 0 0 205.301 2.785 50 0 BFAARN CC(C)(C)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000008732389 166532860 /nfs/dbraw/zinc/53/28/60/166532860.db2.gz ZJQARRSANBOYSS-UHFFFAOYSA-N 0 0 226.707 2.907 50 0 BFAARN CC(C)(C)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000036353558 166533758 /nfs/dbraw/zinc/53/37/58/166533758.db2.gz LTXHERGZAJNVJT-UHFFFAOYSA-N 0 0 247.342 2.666 50 0 BFAARN CC(C)(C)NC(=O)CCOc1ccccc1F ZINC000042137322 166614336 /nfs/dbraw/zinc/61/43/36/166614336.db2.gz OUMODRWKULIQAZ-UHFFFAOYSA-N 0 0 239.290 2.509 50 0 BFAARN CC(C)(C)NC(=O)N1CCc2ccccc2C1 ZINC000004977908 166620432 /nfs/dbraw/zinc/62/04/32/166620432.db2.gz QFVXUFDJYHLUBA-UHFFFAOYSA-N 0 0 232.327 2.553 50 0 BFAARN CC(C)(C)NC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000000301257 166625048 /nfs/dbraw/zinc/62/50/48/166625048.db2.gz TZBSBJOHRGVDKB-RYUDHWBXSA-N 0 0 217.312 2.705 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2cccc(N)c2C1 ZINC000044137604 166654660 /nfs/dbraw/zinc/65/46/60/166654660.db2.gz RKPGKOBRVFHMLX-UHFFFAOYSA-N 0 0 248.326 2.562 50 0 BFAARN CC(C)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000005726881 166714077 /nfs/dbraw/zinc/71/40/77/166714077.db2.gz GYIRYSIUMWKVDD-UHFFFAOYSA-N 0 0 235.371 2.975 50 0 BFAARN CC(C)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000008732387 166730713 /nfs/dbraw/zinc/73/07/13/166730713.db2.gz UNKPJCLOEMVSHY-UHFFFAOYSA-N 0 0 212.680 2.517 50 0 BFAARN CC(C)CCNC(=O)c1cn(C)c2ccccc12 ZINC000020899671 166855365 /nfs/dbraw/zinc/85/53/65/166855365.db2.gz SSHTUNGNLAGQKH-UHFFFAOYSA-N 0 0 244.338 2.954 50 0 BFAARN CC(C)CCNC(=O)c1ccc(F)cc1F ZINC000028210730 166856449 /nfs/dbraw/zinc/85/64/49/166856449.db2.gz IKHHCKVDWVNVEX-UHFFFAOYSA-N 0 0 227.254 2.741 50 0 BFAARN CC(C)CCc1nnc(NCc2ccn(C)c2)o1 ZINC000097045500 166918675 /nfs/dbraw/zinc/91/86/75/166918675.db2.gz COADUERELSVFCH-UHFFFAOYSA-N 0 0 248.330 2.609 50 0 BFAARN CC(C)CCn1cc(Br)cn1 ZINC000038074757 166921023 /nfs/dbraw/zinc/92/10/23/166921023.db2.gz PSQJFVJRFQJOBI-UHFFFAOYSA-N 0 0 217.110 2.692 50 0 BFAARN C[C@@H]1CCCC[C@H]1N(C)C(=O)C1CCC1 ZINC000040497947 410877993 /nfs/dbraw/zinc/87/79/93/410877993.db2.gz MCYBJECHWLBUNT-ZYHUDNBSSA-N 0 0 209.333 2.824 50 0 BFAARN CC[C@@H]1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000103316152 410889191 /nfs/dbraw/zinc/88/91/91/410889191.db2.gz CSWKRPDFXPKSRN-LBPRGKRZSA-N 0 0 216.284 2.744 50 0 BFAARN CC(C)NC(=O)/C=C\c1ccnc2ccccc12 ZINC000096297522 167036351 /nfs/dbraw/zinc/03/63/51/167036351.db2.gz DJMPOINKLAQHDF-FPLPWBNLSA-N 0 0 240.306 2.773 50 0 BFAARN CC(C)NC(=O)/C=C/c1cccc(Cl)c1 ZINC000005909771 167037697 /nfs/dbraw/zinc/03/76/97/167037697.db2.gz JGOXXSOIKWZWDT-VOTSOKGWSA-N 0 0 223.703 2.878 50 0 BFAARN CC(C)NC(=O)N[C@@H](C)c1ccccc1F ZINC000012986643 167076170 /nfs/dbraw/zinc/07/61/70/167076170.db2.gz QTDNCRDRTIAMQB-VIFPVBQESA-N 0 0 224.279 2.594 50 0 BFAARN CC(C)NC(=O)Oc1cccc2cccnc21 ZINC000000401864 167079611 /nfs/dbraw/zinc/07/96/11/167079611.db2.gz MYZZZDHUCNJZNM-UHFFFAOYSA-N 0 0 230.267 2.732 50 0 BFAARN CC(C)NC(=O)c1cc(-c2cccs2)on1 ZINC000000123495 167084743 /nfs/dbraw/zinc/08/47/43/167084743.db2.gz DUVNGVHHLPZRQA-UHFFFAOYSA-N 0 0 236.296 2.541 50 0 BFAARN CC(C)NC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000065402327 167086679 /nfs/dbraw/zinc/08/66/79/167086679.db2.gz WHZOJSVECXZZCH-UHFFFAOYSA-N 0 0 248.257 2.619 50 0 BFAARN CC(C)NC(=O)c1cnc(C(C)(C)C)s1 ZINC000049045823 167091243 /nfs/dbraw/zinc/09/12/43/167091243.db2.gz XFVZAQRZLPZLTG-UHFFFAOYSA-N 0 0 226.345 2.579 50 0 BFAARN CC(C)Nc1cccc(Br)n1 ZINC000038537451 167146810 /nfs/dbraw/zinc/14/68/10/167146810.db2.gz FZACLMVHJVRFML-UHFFFAOYSA-N 0 0 215.094 2.664 50 0 BFAARN CC(C)Oc1cccc(C(=O)C(F)F)c1 ZINC000098210196 167305618 /nfs/dbraw/zinc/30/56/18/167305618.db2.gz XPFCJUAZKFMTCN-UHFFFAOYSA-N 0 0 214.211 2.922 50 0 BFAARN CC(C)Oc1ccccc1C1N=NC(=S)N1 ZINC000005817441 167309148 /nfs/dbraw/zinc/30/91/48/167309148.db2.gz NUEYLDGJNGMCGB-UHFFFAOYSA-N 0 0 235.312 2.548 50 0 BFAARN CC(C)Sc1nc2sccc2c(N)n1 ZINC000022133152 167339227 /nfs/dbraw/zinc/33/92/27/167339227.db2.gz AFQXXHLLNRNHJK-UHFFFAOYSA-N 0 0 225.342 2.774 50 0 BFAARN CC(C)[C@@H](C(N)=O)c1cccc(Cl)c1 ZINC000098018603 167347215 /nfs/dbraw/zinc/34/72/15/167347215.db2.gz KCFIRTVHGGNWBN-SNVBAGLBSA-N 0 0 211.692 2.565 50 0 BFAARN CC(C)[C@@H](C)NC(=O)CCOc1ccccc1 ZINC000039975631 167370168 /nfs/dbraw/zinc/37/01/68/167370168.db2.gz DAASIUHENUGBJD-GFCCVEGCSA-N 0 0 235.327 2.616 50 0 BFAARN CC(C)[C@@H](C)Nc1ccc2c(c1)OCO2 ZINC000019966284 167387712 /nfs/dbraw/zinc/38/77/12/167387712.db2.gz SWKNPSKEVOKLAM-SECBINFHSA-N 0 0 207.273 2.872 50 0 BFAARN CC(C)[C@@H]1CC(=O)Oc2ccc3nsnc3c21 ZINC000096223329 167464707 /nfs/dbraw/zinc/46/47/07/167464707.db2.gz SNPOQQUPGAOHDN-ZETCQYMHSA-N 0 0 248.307 2.740 50 0 BFAARN O=C(CC(F)(F)F)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000044601579 411138093 /nfs/dbraw/zinc/13/80/93/411138093.db2.gz IGBRBWYENLMOSF-NXEZZACHSA-N 0 0 249.276 2.978 50 0 BFAARN CC(C)n1cc(N[C@@H](C)C2CCOCC2)cn1 ZINC000097045681 167755711 /nfs/dbraw/zinc/75/57/11/167755711.db2.gz NIVOWPZGCHUMOX-NSHDSACASA-N 0 0 237.347 2.691 50 0 BFAARN CC(C)NC(=O)Nc1ccc2c(c1)CCCN2C ZINC000049134244 411224921 /nfs/dbraw/zinc/22/49/21/411224921.db2.gz AOBXPLSESPDPQF-UHFFFAOYSA-N 0 0 247.342 2.599 50 0 BFAARN Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccco2)nc1 ZINC000049376563 411232291 /nfs/dbraw/zinc/23/22/91/411232291.db2.gz UOVCFOVTDOHRQN-QWRGUYRKSA-N 0 0 242.278 2.725 50 0 BFAARN CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)c1cc[nH]n1 ZINC000117207351 411237311 /nfs/dbraw/zinc/23/73/11/411237311.db2.gz QPXKETNWBMTTCQ-AAEUAGOBSA-N 0 0 249.358 2.697 50 0 BFAARN CC(C)[C@H]1CC[C@H](C)CCN1C(=O)c1cc[nH]n1 ZINC000117207345 411237364 /nfs/dbraw/zinc/23/73/64/411237364.db2.gz QPXKETNWBMTTCQ-WCQYABFASA-N 0 0 249.358 2.697 50 0 BFAARN CC1(NC(=O)CCCc2ccc(O)cc2)CCC1 ZINC000096487236 168055364 /nfs/dbraw/zinc/05/53/64/168055364.db2.gz QLTFAIFSNGZPOQ-UHFFFAOYSA-N 0 0 247.338 2.774 50 0 BFAARN CC1=C(c2ccco2)CN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000253392180 168088119 /nfs/dbraw/zinc/08/81/19/168088119.db2.gz QBOJTNKCMHCVNI-VXGBXAGGSA-N 0 0 245.322 2.941 50 0 BFAARN CC1=C(Sc2ccccn2)C(=O)NC(C)(C)C1 ZINC000004082974 168088364 /nfs/dbraw/zinc/08/83/64/168088364.db2.gz LYIOYMUIZFUFJR-UHFFFAOYSA-N 0 0 248.351 2.746 50 0 BFAARN CC1=CC(=O)OC1Cc1ccc2ccccc2n1 ZINC000000262734 168092533 /nfs/dbraw/zinc/09/25/33/168092533.db2.gz TUHWOPISQPWMOH-CQSZACIVSA-N 0 0 239.274 2.649 50 0 biogenic BFAARN CC1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2)C1 ZINC000100622308 168132118 /nfs/dbraw/zinc/13/21/18/168132118.db2.gz SDQJZUIWKMSUCS-LLVKDONJSA-N 0 0 246.701 2.850 50 0 BFAARN CC1=NO[C@H](c2ccccc2)N(C)C1(C)C ZINC000019461996 168136207 /nfs/dbraw/zinc/13/62/07/168136207.db2.gz JGDFEAMXFMVVLE-GFCCVEGCSA-N 0 0 218.300 2.802 50 0 BFAARN Cc1ccccc1-c1nnc2n1NC(C)=CS2 ZINC000000525014 168137927 /nfs/dbraw/zinc/13/79/27/168137927.db2.gz FXQYEZJFKMLSEZ-UHFFFAOYSA-N 0 0 244.323 2.583 50 0 BFAARN CC1CCC(NC(=O)c2ccco2)CC1 ZINC000006263617 168162514 /nfs/dbraw/zinc/16/25/14/168162514.db2.gz FOHJUZOZEAMFJO-UHFFFAOYSA-N 0 0 207.273 2.588 50 0 BFAARN CC1CCC(NC(=O)c2ccoc2)CC1 ZINC000008772229 168162728 /nfs/dbraw/zinc/16/27/28/168162728.db2.gz UTWCTWNBWDVXMX-UHFFFAOYSA-N 0 0 207.273 2.588 50 0 BFAARN CC1CCN(Cc2nc(C(C)(C)C)no2)CC1 ZINC000048341292 168185098 /nfs/dbraw/zinc/18/50/98/168185098.db2.gz XIMBCFHMZQXYLQ-UHFFFAOYSA-N 0 0 237.347 2.599 50 0 BFAARN CCC(=O)Cc1ccccc1Br ZINC000037464214 168210694 /nfs/dbraw/zinc/21/06/94/168210694.db2.gz GZFBBTAOKUFHLW-UHFFFAOYSA-N 0 0 227.101 2.971 50 0 BFAARN CCC(=O)N(C)Cc1cc(Cl)ccc1OC ZINC000032774207 168211484 /nfs/dbraw/zinc/21/14/84/168211484.db2.gz ZDRPGWYNQNZVIO-UHFFFAOYSA-N 0 0 241.718 2.717 50 0 BFAARN CCC(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000058404553 168218722 /nfs/dbraw/zinc/21/87/22/168218722.db2.gz DDJLQKBPLQJRTC-ZDUSSCGKSA-N 0 0 247.338 2.639 50 0 BFAARN CCC(=O)N1CCC[C@H]1c1cccs1 ZINC000040459876 168219669 /nfs/dbraw/zinc/21/96/69/168219669.db2.gz XEQQGHDKJMVJLT-VIFPVBQESA-N 0 0 209.314 2.822 50 0 BFAARN CCC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000032994805 168233802 /nfs/dbraw/zinc/23/38/02/168233802.db2.gz QNUYDDFWXGTDNY-UHFFFAOYSA-N 0 0 231.217 2.732 50 0 BFAARN CCC(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000012527713 168236233 /nfs/dbraw/zinc/23/62/33/168236233.db2.gz KEPLKIXOSIWNLT-HNNXBMFYSA-N 0 0 240.306 2.697 50 0 BFAARN CCC(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000036392887 168236417 /nfs/dbraw/zinc/23/64/17/168236417.db2.gz XRCDKEPVHYMGTG-VIFPVBQESA-N 0 0 223.341 2.996 50 0 BFAARN CCC(=O)N[C@H](CC)c1ccccc1C ZINC000072117635 168240162 /nfs/dbraw/zinc/24/01/62/168240162.db2.gz XDQNLHZZDOVRCZ-GFCCVEGCSA-N 0 0 205.301 2.972 50 0 BFAARN CCC(=O)N[C@H]1CCCc2cc(OC)ccc21 ZINC000072117396 168240527 /nfs/dbraw/zinc/24/05/27/168240527.db2.gz MSWGTTJITKZSEK-ZDUSSCGKSA-N 0 0 233.311 2.599 50 0 BFAARN CCC(=O)Nc1cc(-n2cccn2)ccc1C ZINC000191447776 168241363 /nfs/dbraw/zinc/24/13/63/168241363.db2.gz KZDHASVUXOKWBB-UHFFFAOYSA-N 0 0 229.283 2.529 50 0 BFAARN CCC(=O)Nc1ccc(Cl)c(OC)c1 ZINC000000315902 168244153 /nfs/dbraw/zinc/24/41/53/168244153.db2.gz GFMBJFPIIRRXPN-UHFFFAOYSA-N 0 0 213.664 2.697 50 0 BFAARN CCC(=O)Nc1ccc(C)cc1-c1cnn(C)c1 ZINC000032590457 168244312 /nfs/dbraw/zinc/24/43/12/168244312.db2.gz OOGNRQFTXMYMSF-UHFFFAOYSA-N 0 0 243.310 2.744 50 0 BFAARN CCC(=O)Nc1ccc(Br)c(C)n1 ZINC000000359983 168244606 /nfs/dbraw/zinc/24/46/06/168244606.db2.gz DUJQWEAOAOXMLF-UHFFFAOYSA-N 0 0 243.104 2.501 50 0 BFAARN CCC(=O)Nc1cccc2cccnc21 ZINC000005027965 168247590 /nfs/dbraw/zinc/24/75/90/168247590.db2.gz GCXCRDAPSXLMLW-UHFFFAOYSA-N 0 0 200.241 2.583 50 0 BFAARN CCC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072208686 168252270 /nfs/dbraw/zinc/25/22/70/168252270.db2.gz ULEXMXPJOTZHNL-JTQLQIEISA-N 0 0 241.331 2.755 50 0 BFAARN CCC(=O)c1ccc(OCC(F)F)cc1 ZINC000037755991 168256721 /nfs/dbraw/zinc/25/67/21/168256721.db2.gz SHRPIHDZKJGNNK-UHFFFAOYSA-N 0 0 214.211 2.923 50 0 BFAARN CCC(=O)c1cccc(-c2cccc(N)n2)c1 ZINC000032547728 168257933 /nfs/dbraw/zinc/25/79/33/168257933.db2.gz ZLAUGYBCEGOPHP-UHFFFAOYSA-N 0 0 226.279 2.924 50 0 BFAARN CCC(C)(C)C(=O)NCc1cccs1 ZINC000016958077 168265998 /nfs/dbraw/zinc/26/59/98/168265998.db2.gz NZQNKWYRDWHWRV-UHFFFAOYSA-N 0 0 211.330 2.801 50 0 BFAARN CCC(C)(C)NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000029806895 168296106 /nfs/dbraw/zinc/29/61/06/168296106.db2.gz ZVEAXGLZZCJHOW-UHFFFAOYSA-N 0 0 247.298 2.588 50 0 BFAARN CCC(C)(C)NC(=O)c1ccc(NC(C)=O)cc1 ZINC000004704395 168296878 /nfs/dbraw/zinc/29/68/78/168296878.db2.gz JVVSKZLOGOWAJJ-UHFFFAOYSA-N 0 0 248.326 2.563 50 0 BFAARN CCN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000065612945 170004775 /nfs/dbraw/zinc/00/47/75/170004775.db2.gz XRQOCOOOUBGDQN-GFCCVEGCSA-N 0 0 225.719 2.733 50 0 BFAARN CCN1C[C@@H](COc2ccc(C)cc2C)OC1=O ZINC000071773768 170030785 /nfs/dbraw/zinc/03/07/85/170030785.db2.gz UZHHZOLBWNDGLF-LBPRGKRZSA-N 0 0 249.310 2.523 50 0 BFAARN CCNC(=O)CCSc1ccc(C)cc1 ZINC000000571979 170052875 /nfs/dbraw/zinc/05/28/75/170052875.db2.gz OMIXXJFCWJYTFP-UHFFFAOYSA-N 0 0 223.341 2.613 50 0 BFAARN CCNC(=O)CNc1cc(Cl)cc(Cl)c1 ZINC000010029075 170067036 /nfs/dbraw/zinc/06/70/36/170067036.db2.gz IAHBZCRHQCSXGO-UHFFFAOYSA-N 0 0 247.125 2.541 50 0 BFAARN CCNC(=O)C[C@H](C)CCc1ccccc1 ZINC000063575547 170070396 /nfs/dbraw/zinc/07/03/96/170070396.db2.gz RONHWNZQWPSGKY-GFCCVEGCSA-N 0 0 219.328 2.782 50 0 BFAARN CCNC(=O)Cc1cccc2ccccc21 ZINC000004110391 170070748 /nfs/dbraw/zinc/07/07/48/170070748.db2.gz FXWOACKMLDZSQC-UHFFFAOYSA-N 0 0 213.280 2.518 50 0 BFAARN CCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000000281518 170089794 /nfs/dbraw/zinc/08/97/94/170089794.db2.gz ZCCYGQFGOGPHOD-MRVPVSSYSA-N 0 0 243.759 2.957 50 0 BFAARN CCNC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000048374716 170089813 /nfs/dbraw/zinc/08/98/13/170089813.db2.gz WSHBOENTYOWABA-LLVKDONJSA-N 0 0 235.327 2.713 50 0 BFAARN CCNC(=O)c1c(C)onc1-c1cccc(F)c1 ZINC000064551955 170099667 /nfs/dbraw/zinc/09/96/67/170099667.db2.gz CSZBIEMNPLFTJS-UHFFFAOYSA-N 0 0 248.257 2.539 50 0 BFAARN CCNC(=O)c1cc(C)nc2ccc(C)cc21 ZINC000064553228 170100059 /nfs/dbraw/zinc/10/00/59/170100059.db2.gz SRJGPMOCKVVAND-UHFFFAOYSA-N 0 0 228.295 2.601 50 0 BFAARN CCNC(=O)c1ccc(Br)cc1C ZINC000048190780 170100866 /nfs/dbraw/zinc/10/08/66/170100866.db2.gz NYIIAMGYBIJNPA-UHFFFAOYSA-N 0 0 242.116 2.507 50 0 BFAARN CCNC(=O)c1ccc(Cl)cc1Cl ZINC000000029155 170102212 /nfs/dbraw/zinc/10/22/12/170102212.db2.gz HGHGYRAEXXRLJV-UHFFFAOYSA-N 0 0 218.083 2.743 50 0 BFAARN CCNC(=O)c1cccc(C[C@H]2CCCCO2)c1 ZINC000091664178 170103237 /nfs/dbraw/zinc/10/32/37/170103237.db2.gz HTPJNMFCRLKLIV-CQSZACIVSA-N 0 0 247.338 2.548 50 0 BFAARN CCNC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000023130730 170103439 /nfs/dbraw/zinc/10/34/39/170103439.db2.gz LREIPLZYLZHMPN-UHFFFAOYSA-N 0 0 216.284 2.534 50 0 BFAARN CCNC(=S)Nc1cccc(C)c1C ZINC000007522754 170106191 /nfs/dbraw/zinc/10/61/91/170106191.db2.gz ZVWYQMJOAIUKDS-UHFFFAOYSA-N 0 0 208.330 2.610 50 0 BFAARN CCNc1ncnc2sc(CC)cc21 ZINC000005301970 170178131 /nfs/dbraw/zinc/17/81/31/170178131.db2.gz TZQMRPSJNZDCKJ-UHFFFAOYSA-N 0 0 207.302 2.686 50 0 BFAARN CCOC(=O)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000002747915 170184144 /nfs/dbraw/zinc/18/41/44/170184144.db2.gz QQLAHVIBAXZEFX-JTQLQIEISA-N 0 0 249.310 2.702 50 0 BFAARN CCOC(=O)C(=O)c1ccccc1C(C)C ZINC000043209628 170184628 /nfs/dbraw/zinc/18/46/28/170184628.db2.gz JVORTIOMRRBDBW-UHFFFAOYSA-N 0 0 220.268 2.556 50 0 BFAARN CCOC(=O)C(Br)(CC)CC ZINC000001673557 170185334 /nfs/dbraw/zinc/18/53/34/170185334.db2.gz YIFZOOLBLJRSBG-UHFFFAOYSA-N 0 0 223.110 2.503 50 0 in-vitro BFAARN CCOC(=O)C(F)(F)c1ccccc1C ZINC000052232621 170188946 /nfs/dbraw/zinc/18/89/46/170188946.db2.gz PPJHEHGTSULBGX-UHFFFAOYSA-N 0 0 214.211 2.650 50 0 BFAARN CCOC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005196279 170191711 /nfs/dbraw/zinc/19/17/11/170191711.db2.gz SYEXGNJRYPOUSI-UHFFFAOYSA-N 0 0 208.301 2.766 50 0 BFAARN CCOC(=O)COc1cccc(C(F)(F)F)c1 ZINC000006655598 170228784 /nfs/dbraw/zinc/22/87/84/170228784.db2.gz LEKNNERDFCDITP-UHFFFAOYSA-N 0 0 248.200 2.647 50 0 BFAARN CCOC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000095634604 170236114 /nfs/dbraw/zinc/23/61/14/170236114.db2.gz BRGSHFKABBJCGX-UHFFFAOYSA-N 0 0 248.200 2.691 50 0 BFAARN CCOC(=O)N[C@@H](C)CCc1ccccc1 ZINC000003047766 170242257 /nfs/dbraw/zinc/24/22/57/170242257.db2.gz PUPHKXUBQHWHLD-NSHDSACASA-N 0 0 221.300 2.754 50 0 BFAARN CCOC(=O)NCc1ccc2c(cc(C)n2C)c1 ZINC000004056884 170242764 /nfs/dbraw/zinc/24/27/64/170242764.db2.gz DANDKXHCQIMLQD-UHFFFAOYSA-N 0 0 246.310 2.733 50 0 BFAARN CCOC(=O)Nc1ccccc1SC ZINC000013326792 170244241 /nfs/dbraw/zinc/24/42/41/170244241.db2.gz AZQJXQOPXRSMNI-UHFFFAOYSA-N 0 0 211.286 2.977 50 0 BFAARN CCOC(=O)Nc1sc(=S)n(C)c1C ZINC000000188191 170244798 /nfs/dbraw/zinc/24/47/98/170244798.db2.gz VKKZFCLAMYWDAW-UHFFFAOYSA-N 0 0 232.330 2.693 50 0 BFAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 ZINC000002549386 170248588 /nfs/dbraw/zinc/24/85/88/170248588.db2.gz WEMKCYKPXXBMFS-SNVBAGLBSA-N 0 0 234.295 2.506 50 0 BFAARN CCOC(=O)[C@@H](c1ccccc1)n1cccc1 ZINC000000165754 170256052 /nfs/dbraw/zinc/25/60/52/170256052.db2.gz KDWUERNOAYIKFV-CYBMUJFWSA-N 0 0 229.279 2.641 50 0 BFAARN CCOC(=O)[C@@H]1CC=CC[C@@H]1c1cccnc1 ZINC000000165733 170257028 /nfs/dbraw/zinc/25/70/28/170257028.db2.gz ATAHZGDGVWUBCW-CHWSQXEVSA-N 0 0 231.295 2.695 50 0 BFAARN CCOC(=O)[C@H](c1ccccc1)N1CCCCC1 ZINC000063110795 170279119 /nfs/dbraw/zinc/27/91/19/170279119.db2.gz AGSKYKDXQOBAPX-AWEZNQCLSA-N 0 0 247.338 2.777 50 0 BFAARN CCOC(=O)[C@H]([C@H](C)CC)n1cccc1 ZINC000012404602 170279296 /nfs/dbraw/zinc/27/92/96/170279296.db2.gz RGEPVMUUYVYHRJ-MNOVXSKESA-N 0 0 209.289 2.638 50 0 BFAARN CCOC(=O)[C@](C)(CC)c1ccccc1 ZINC000000393304 170284405 /nfs/dbraw/zinc/28/44/05/170284405.db2.gz XSCGESRBIGOGKZ-CYBMUJFWSA-N 0 0 206.285 2.917 50 0 BFAARN CCOC(=O)c1[nH]c2ccc(Cl)cc2c1N ZINC000004109591 170286319 /nfs/dbraw/zinc/28/63/19/170286319.db2.gz LMNGJTFHRLLAEF-UHFFFAOYSA-N 0 0 238.674 2.580 50 0 BFAARN CCOC(=O)c1c(C)[nH]c2cc(F)ccc21 ZINC000002512988 170287659 /nfs/dbraw/zinc/28/76/59/170287659.db2.gz GOKWPANDLYARQA-UHFFFAOYSA-N 0 0 221.231 2.792 50 0 BFAARN CCOC(=O)c1c(N)sc2c1CCCCC2 ZINC000003866064 170289135 /nfs/dbraw/zinc/28/91/35/170289135.db2.gz XTUHIGALMIGZST-UHFFFAOYSA-N 0 0 239.340 2.776 50 0 BFAARN CCOC(=O)c1c(N)sc2c1C[C@@H](C)CC2 ZINC000000267468 170289257 /nfs/dbraw/zinc/28/92/57/170289257.db2.gz USOZAPSHCJNFRA-ZETCQYMHSA-N 0 0 239.340 2.632 50 0 BFAARN CCOC(=O)c1cc(-c2ccc(F)cc2)no1 ZINC000000266304 170290239 /nfs/dbraw/zinc/29/02/39/170290239.db2.gz MPABJNMHRUYNLO-UHFFFAOYSA-N 0 0 235.214 2.657 50 0 BFAARN CCOC(=O)c1cc(Br)ccc1C ZINC000021303512 170290768 /nfs/dbraw/zinc/29/07/68/170290768.db2.gz NHMJLUHCYZHKMO-UHFFFAOYSA-N 0 0 243.100 2.934 50 0 BFAARN CCOC(=O)c1cc(F)c(Cl)cc1F ZINC000047202700 170292287 /nfs/dbraw/zinc/29/22/87/170292287.db2.gz RWNQCUICDKYYNJ-UHFFFAOYSA-N 0 0 220.602 2.795 50 0 BFAARN CCOC(=O)c1cc2cccc(Cl)c2[nH]1 ZINC000006724754 170293983 /nfs/dbraw/zinc/29/39/83/170293983.db2.gz HPDPSWAIDXFYTE-UHFFFAOYSA-N 0 0 223.659 2.998 50 0 BFAARN CCOC(=O)c1ccc(-c2ccc(CO)o2)cc1 ZINC000000478560 170294908 /nfs/dbraw/zinc/29/49/08/170294908.db2.gz DMKQQSCPXCUMKK-UHFFFAOYSA-N 0 0 246.262 2.616 50 0 BFAARN CCOC(=O)c1ccc(OC)c(OC)c1Cl ZINC000000132445 170297088 /nfs/dbraw/zinc/29/70/88/170297088.db2.gz AXNMDQHZRJDVRG-UHFFFAOYSA-N 0 0 244.674 2.534 50 0 BFAARN CCOC(=O)c1ccc([C@H]2CCCC(=O)C2)o1 ZINC000002514088 170298072 /nfs/dbraw/zinc/29/80/72/170298072.db2.gz JKTUNBZVCTWKOL-VIFPVBQESA-N 0 0 236.267 2.683 50 0 BFAARN CCOC(=O)c1cnc(-c2ccccc2)s1 ZINC000034017460 170301927 /nfs/dbraw/zinc/30/19/27/170301927.db2.gz ROKNTXACUCMRQU-UHFFFAOYSA-N 0 0 233.292 2.987 50 0 BFAARN CCOC(=O)c1cnc2cc(F)cc(F)c2c1 ZINC000098213243 170302895 /nfs/dbraw/zinc/30/28/95/170302895.db2.gz ZLZRYOVXPGOMBL-UHFFFAOYSA-N 0 0 237.205 2.690 50 0 BFAARN CCOC(=O)c1cncn1[C@@H](C)c1ccccc1 ZINC000017364045 170303912 /nfs/dbraw/zinc/30/39/12/170303912.db2.gz NPUKDXXFDDZOKR-NSHDSACASA-N 0 0 244.294 2.669 50 0 world BFAARN CCOC(=O)c1oc(Cl)nc1C(F)(F)F ZINC000030678034 170309654 /nfs/dbraw/zinc/30/96/54/170309654.db2.gz FDXRMXXUIRNASG-UHFFFAOYSA-N 0 0 243.568 2.524 50 0 BFAARN CCOC(=O)c1oc2cc(N)ccc2c1C ZINC000004323214 170309949 /nfs/dbraw/zinc/30/99/49/170309949.db2.gz JFVDDWYFMNQCEP-UHFFFAOYSA-N 0 0 219.240 2.500 50 0 BFAARN CCOC(=O)C1SC(=S)C(C(C)=O)=C1C ZINC000000329980 170310423 /nfs/dbraw/zinc/31/04/23/170310423.db2.gz ZCOCWDLJBQEHKC-UHFFFAOYSA-N 0 0 244.337 2.725 50 0 BFAARN CCOC(=O)c1sc(N[C@H](C)CC)nc1C ZINC000004294214 170310453 /nfs/dbraw/zinc/31/04/53/170310453.db2.gz HDOCOQMXSUHAGL-SSDOTTSWSA-N 0 0 242.344 2.839 50 0 BFAARN CCOC(=O)c1sc(C)nc1C(F)(F)F ZINC000001400156 170311111 /nfs/dbraw/zinc/31/11/11/170311111.db2.gz FKNJDCSKTSRSSW-UHFFFAOYSA-N 0 0 239.218 2.647 50 0 BFAARN CCOC(C[N@@H+]1CC(C)(C)C1(C)C)OCC ZINC000097141157 170314852 /nfs/dbraw/zinc/31/48/52/170314852.db2.gz OSEVBVBNDWCBFM-UHFFFAOYSA-N 0 0 229.364 2.506 50 0 BFAARN CCOC(C[C@@H](OCC)OCC(C)C)OCC ZINC000004831684 170315775 /nfs/dbraw/zinc/31/57/75/170315775.db2.gz AVWVCFBADLJOIX-ZDUSSCGKSA-N 0 0 248.363 2.811 50 0 BFAARN CCOCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004700214 170348045 /nfs/dbraw/zinc/34/80/45/170348045.db2.gz KOOIKMDOVPBAMF-UHFFFAOYSA-N 0 0 248.109 2.968 50 0 BFAARN CCOCCC(=O)NC1CCCCCCC1 ZINC000016971057 170360773 /nfs/dbraw/zinc/36/07/73/170360773.db2.gz WGUIQPMZRZTOJE-UHFFFAOYSA-N 0 0 227.348 2.642 50 0 BFAARN CCOP1(=O)COc2ccccc2OC1 ZINC000000190564 170470697 /nfs/dbraw/zinc/47/06/97/170470697.db2.gz ZPIKUXKBIPRXFD-UHFFFAOYSA-N 0 0 228.184 2.687 50 0 BFAARN CCO[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000040523218 170475440 /nfs/dbraw/zinc/47/54/40/170475440.db2.gz UUOPHPJKQBTGFH-QMMMGPOBSA-N 0 0 227.691 2.704 50 0 BFAARN CCOc1c(N)cc(F)cc1Br ZINC000037250564 170515407 /nfs/dbraw/zinc/51/54/07/170515407.db2.gz RLUDPHPSOKVCEP-UHFFFAOYSA-N 0 0 234.068 2.569 50 0 BFAARN CCOc1ccc(NC(=O)N2CCCC2)cc1 ZINC000006699388 170550334 /nfs/dbraw/zinc/55/03/34/170550334.db2.gz CLHMUYFDFWKEGW-UHFFFAOYSA-N 0 0 234.299 2.713 50 0 BFAARN CCOc1ccc([C@H](C)NC(=O)C2CC2)cc1 ZINC000001172739 170562413 /nfs/dbraw/zinc/56/24/13/170562413.db2.gz OPOROGBIKSJXGE-JTQLQIEISA-N 0 0 233.311 2.673 50 0 BFAARN CCOc1ccccc1C(=O)NC(C)(C)C ZINC000005593129 170590259 /nfs/dbraw/zinc/59/02/59/170590259.db2.gz QDRZANWZRLAQQW-UHFFFAOYSA-N 0 0 221.300 2.614 50 0 BFAARN CCOc1ccccc1CCC(=O)N[C@@H](C)CC ZINC000040462831 170590842 /nfs/dbraw/zinc/59/08/42/170590842.db2.gz RCBRUPKCFUNMBT-LBPRGKRZSA-N 0 0 249.354 2.933 50 0 BFAARN CCOc1ccccc1NC(=O)NC1CCC1 ZINC000013331728 170595149 /nfs/dbraw/zinc/59/51/49/170595149.db2.gz XQXVBXKSCQOMGY-UHFFFAOYSA-N 0 0 234.299 2.759 50 0 BFAARN CCSCC[C@@H](C)NC(=O)N1CC[C@@H](C)C1 ZINC000084812074 170641052 /nfs/dbraw/zinc/64/10/52/170641052.db2.gz KTNAGOSFCMDXCH-GHMZBOCLSA-N 0 0 244.404 2.570 50 0 BFAARN CCS[C@H]1CCC[C@H]1Nc1nc(C)ns1 ZINC000195542711 170653136 /nfs/dbraw/zinc/65/31/36/170653136.db2.gz MWHYCNYMQRYDPW-BDAKNGLRSA-N 0 0 243.401 2.933 50 0 BFAARN CCSc1nnc(NC(=O)CC(C)C)s1 ZINC000004086564 170657697 /nfs/dbraw/zinc/65/76/97/170657697.db2.gz RTWLZDCGGHYIND-UHFFFAOYSA-N 0 0 245.373 2.635 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1ccccc1COC ZINC000040527956 170743558 /nfs/dbraw/zinc/74/35/58/170743558.db2.gz QWCWATXDUKOYMI-SNVBAGLBSA-N 0 0 236.315 2.753 50 0 BFAARN CC[C@@H](C)NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000032610903 170746684 /nfs/dbraw/zinc/74/66/84/170746684.db2.gz WJKSUDOVFPGBAF-MRVPVSSYSA-N 0 0 249.339 2.667 50 0 BFAARN CC[C@@H](C)NC(=O)c1ccccc1Cl ZINC000000126143 170748588 /nfs/dbraw/zinc/74/85/88/170748588.db2.gz QGHRLJWPQVGPEP-MRVPVSSYSA-N 0 0 211.692 2.868 50 0 BFAARN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000225809631 170855554 /nfs/dbraw/zinc/85/55/54/170855554.db2.gz MZQWVAAARQHIFQ-VIFPVBQESA-N 0 0 245.244 2.759 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)Nc1ccccn1 ZINC000048347384 170961633 /nfs/dbraw/zinc/96/16/33/170961633.db2.gz NFNHRRUOEZVEIC-LLVKDONJSA-N 0 0 233.315 2.878 50 0 BFAARN CC[C@@H]1COCCN1C(=O)Nc1ccccc1C ZINC000098014196 171104134 /nfs/dbraw/zinc/10/41/34/171104134.db2.gz ZDVTXTAOHFWTNE-GFCCVEGCSA-N 0 0 248.326 2.638 50 0 BFAARN CC[C@@H]1Oc2ccc(C)cc2NC1=S ZINC000000260599 171153186 /nfs/dbraw/zinc/15/31/86/171153186.db2.gz BXXIAULRZRJUAC-VIFPVBQESA-N 0 0 207.298 2.905 50 0 BFAARN CC[C@@H]1c2ccc(C)cc2CCN1C(C)=O ZINC000036113971 171162686 /nfs/dbraw/zinc/16/26/86/171162686.db2.gz UUWRWWALTUSQSV-CQSZACIVSA-N 0 0 217.312 2.851 50 0 BFAARN CC[C@@]1(C)Cc2c(sc3ncnc(N)c32)CO1 ZINC000000554197 171208593 /nfs/dbraw/zinc/20/85/93/171208593.db2.gz XXYCCFUVLDEDFW-LBPRGKRZSA-N 0 0 249.339 2.515 50 0 BFAARN CC[C@@]1(C)OC(=O)N(Cc2ccccc2)[C@]1(C)O ZINC000035327531 171209837 /nfs/dbraw/zinc/20/98/37/171209837.db2.gz MUMVWDVYJBOAQP-ZIAGYGMSSA-N 0 0 249.310 2.516 50 0 BFAARN CC[C@H](C(=O)O[C@@H]1CCOC1)c1ccccc1 ZINC000071883881 171241614 /nfs/dbraw/zinc/24/16/14/171241614.db2.gz LPUSOKKFKZYVIZ-OLZOCXBDSA-N 0 0 234.295 2.512 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000048810726 171255775 /nfs/dbraw/zinc/25/57/75/171255775.db2.gz HYABZOLPQNOSFW-VIFPVBQESA-N 0 0 245.278 2.778 50 0 BFAARN CC[C@H](C)CNc1ccc2c(c1)OCO2 ZINC000020093015 171287810 /nfs/dbraw/zinc/28/78/10/171287810.db2.gz NKURNCLAWDCGQM-VIFPVBQESA-N 0 0 207.273 2.873 50 0 BFAARN CC[C@H](C)N(C(=O)[C@@H]1CCO[C@@H]1C)[C@@H](C)CC ZINC000097148319 171300827 /nfs/dbraw/zinc/30/08/27/171300827.db2.gz ZKNSKAIPTUAXLN-WUHRBBMRSA-N 0 0 241.375 2.837 50 0 BFAARN CC[C@H](C)N(Cc1c[nH]cn1)Cc1cccnc1 ZINC000055196074 171316330 /nfs/dbraw/zinc/31/63/30/171316330.db2.gz LNFKCNVWNMWXBS-LBPRGKRZSA-N 0 0 244.342 2.605 50 0 BFAARN CC[C@H](C)NC(=O)/C=C/c1ccccc1OC ZINC000000472656 171321447 /nfs/dbraw/zinc/32/14/47/171321447.db2.gz CEIRLNQBZIIRHQ-USKTWTLRSA-N 0 0 233.311 2.623 50 0 BFAARN CC[C@H](C)NC(=O)Nc1ccc(OC)cc1 ZINC000012921798 171330826 /nfs/dbraw/zinc/33/08/26/171330826.db2.gz ZYTJGOKHNZZSDI-VIFPVBQESA-N 0 0 222.288 2.615 50 0 BFAARN CC[C@H](C)NC(=O)Nc1ccccc1C ZINC000003958908 171331101 /nfs/dbraw/zinc/33/11/01/171331101.db2.gz QRBSOKSITOQKTD-JTQLQIEISA-N 0 0 206.289 2.915 50 0 BFAARN CC[C@H](C)NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000032610904 171336385 /nfs/dbraw/zinc/33/63/85/171336385.db2.gz WJKSUDOVFPGBAF-QMMMGPOBSA-N 0 0 249.339 2.667 50 0 BFAARN CC[C@H](C)NC(=O)c1cc2ccccc2[nH]1 ZINC000012978854 171336652 /nfs/dbraw/zinc/33/66/52/171336652.db2.gz DVKREIJNRGKYFQ-VIFPVBQESA-N 0 0 216.284 2.696 50 0 BFAARN CC[C@H](C)NC(=O)c1ccc(OC)c(Cl)c1 ZINC000021143527 171337091 /nfs/dbraw/zinc/33/70/91/171337091.db2.gz OGVIXTNGQFYBOL-QMMMGPOBSA-N 0 0 241.718 2.877 50 0 BFAARN CC[C@H](C)NC(=O)c1cccc2ncccc21 ZINC000027339089 171337456 /nfs/dbraw/zinc/33/74/56/171337456.db2.gz SAJXLQGMDCLCCU-JTQLQIEISA-N 0 0 228.295 2.763 50 0 BFAARN CC[C@H](C)NC(=S)Nc1ccc(OC)cc1 ZINC000000306583 171339902 /nfs/dbraw/zinc/33/99/02/171339902.db2.gz QZEVNTPWJMVOPG-VIFPVBQESA-N 0 0 238.356 2.780 50 0 BFAARN CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)CCC2 ZINC000000427705 171351240 /nfs/dbraw/zinc/35/12/40/171351240.db2.gz CNNMTGOUQGHWQB-QMMMGPOBSA-N 0 0 249.310 2.797 50 0 BFAARN CC[C@H](C)Sc1nnc2cc(C)nc(C)n21 ZINC000078838606 171357773 /nfs/dbraw/zinc/35/77/73/171357773.db2.gz QWFARNSKWALCSS-QMMMGPOBSA-N 0 0 236.344 2.632 50 0 BFAARN CCO[C@H](C)C(=O)NC1(c2ccccc2C)CC1 ZINC000426548825 412088006 /nfs/dbraw/zinc/08/80/06/412088006.db2.gz QJJMFCYQJODCHS-GFCCVEGCSA-N 0 0 247.338 2.525 50 0 BFAARN CC[C@H]1CCCCN1C(=O)c1ccc(C)nc1 ZINC000032903791 171606043 /nfs/dbraw/zinc/60/60/43/171606043.db2.gz IWCBSZOXPHLZBX-ZDUSSCGKSA-N 0 0 232.327 2.795 50 0 BFAARN CC[C@H]1CCCC[C@H]1OC(=O)CCCOC ZINC000097364038 171613109 /nfs/dbraw/zinc/61/31/09/171613109.db2.gz FDPYPCWSEVDKEM-NWDGAFQWSA-N 0 0 228.332 2.925 50 0 BFAARN CCc1c(Cl)nc(C)nc1N[C@H]1C[C@@H]1C ZINC000170642839 171743063 /nfs/dbraw/zinc/74/30/63/171743063.db2.gz SSLZZUQOOKDKJO-RCOVLWMOSA-N 0 0 225.723 2.821 50 0 BFAARN CCc1c(N)cnn1-c1ccc(Cl)cc1 ZINC000085634291 171744249 /nfs/dbraw/zinc/74/42/49/171744249.db2.gz KPACRVNOEUQQMK-UHFFFAOYSA-N 0 0 221.691 2.670 50 0 BFAARN CCc1cc(OCCCO)c2ccccc2n1 ZINC000095988732 171773143 /nfs/dbraw/zinc/77/31/43/171773143.db2.gz WUEKRVFEYPIRIQ-UHFFFAOYSA-N 0 0 231.295 2.558 50 0 BFAARN CCc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1 ZINC000000472391 171779763 /nfs/dbraw/zinc/77/97/63/171779763.db2.gz AGILMUZVMFMEPX-UHFFFAOYSA-N 0 0 244.294 2.861 50 0 BFAARN CCc1ccc(C(=O)N(C)[C@@H](C)C2CC2)o1 ZINC000040511022 171783647 /nfs/dbraw/zinc/78/36/47/171783647.db2.gz PJUYKLRQCIIKQN-VIFPVBQESA-N 0 0 221.300 2.713 50 0 BFAARN CCc1ccc(NCc2cn(C)nc2C)cc1 ZINC000002536161 171821111 /nfs/dbraw/zinc/82/11/11/171821111.db2.gz ZYKVLNZGKLVZRB-UHFFFAOYSA-N 0 0 229.327 2.903 50 0 BFAARN CCc1ccc([C@@H](C)NC(=O)C[C@@H](C)OC)cc1 ZINC000058210422 171828865 /nfs/dbraw/zinc/82/88/65/171828865.db2.gz ADCRDQNJSQIFSC-VXGBXAGGSA-N 0 0 249.354 2.851 50 0 BFAARN CCc1ccc([C@H](C)NC(=O)C[C@@H](C)OC)cc1 ZINC000058210423 171837876 /nfs/dbraw/zinc/83/78/76/171837876.db2.gz ADCRDQNJSQIFSC-NEPJUHHUSA-N 0 0 249.354 2.851 50 0 BFAARN CCc1ccccc1NC(=O)NC[C@H]1CCCO1 ZINC000006725521 171885291 /nfs/dbraw/zinc/88/52/91/171885291.db2.gz DMRNERYPMNBQJT-GFCCVEGCSA-N 0 0 248.326 2.550 50 0 BFAARN CCc1nc([C@@H]2CCCN2CC=C(C)C)no1 ZINC000072279335 172005049 /nfs/dbraw/zinc/00/50/49/172005049.db2.gz IELPDQFMEYXAMC-NSHDSACASA-N 0 0 235.331 2.735 50 0 BFAARN CCc1nc2c(s1)[C@@H](N(C)C(C)=O)CCC2 ZINC000089295716 172008859 /nfs/dbraw/zinc/00/88/59/172008859.db2.gz ZNFVLNXFRNYDHT-JTQLQIEISA-N 0 0 238.356 2.561 50 0 BFAARN CCc1noc(C)c1C(=O)N[C@H](CC)C(C)C ZINC000095954871 172074845 /nfs/dbraw/zinc/07/48/45/172074845.db2.gz NZBDPNWPQCOXEG-SNVBAGLBSA-N 0 0 238.331 2.710 50 0 BFAARN CCc1sc(=N)n(C)c1-c1ccc(F)cc1 ZINC000000479836 172129062 /nfs/dbraw/zinc/12/90/62/172129062.db2.gz MGGLEBIBBVFRFQ-UHFFFAOYSA-O 0 0 237.323 2.523 50 0 BFAARN CCn1c2ccccc2n(-c2ccccc2)c1=O ZINC000034614463 172132532 /nfs/dbraw/zinc/13/25/32/172132532.db2.gz JINUHRQNBTUAJU-UHFFFAOYSA-N 0 0 238.290 2.812 50 0 BFAARN CCn1c(C)c(C)c2cc(C(=O)N(C)C)ccc21 ZINC000064551735 172134293 /nfs/dbraw/zinc/13/42/93/172134293.db2.gz ZKVAJGPHAJXAOK-UHFFFAOYSA-N 0 0 244.338 2.980 50 0 BFAARN CCn1c(O)c(C(C)=O)c2cc(OC)ccc21 ZINC000096026274 172145693 /nfs/dbraw/zinc/14/56/93/172145693.db2.gz DMVHBODBUWZYIV-UHFFFAOYSA-N 0 0 233.267 2.578 50 0 BFAARN CCn1c(O)c(C(C)=O)c2cc(F)ccc21 ZINC000096026259 172145808 /nfs/dbraw/zinc/14/58/08/172145808.db2.gz QSTSMCDGBZKKEQ-UHFFFAOYSA-N 0 0 221.231 2.709 50 0 BFAARN CCn1c(O)c(C(C)=O)c2ccccc21 ZINC000096026243 172146785 /nfs/dbraw/zinc/14/67/85/172146785.db2.gz NHNLQHBRNJBHPD-UHFFFAOYSA-N 0 0 203.241 2.569 50 0 BFAARN CCn1cc(C(=O)Nc2cccc(Cl)c2)cn1 ZINC000000370923 172156928 /nfs/dbraw/zinc/15/69/28/172156928.db2.gz UMZQRPVGZBJCLB-UHFFFAOYSA-N 0 0 249.701 2.809 50 0 BFAARN CCn1cc(NC(=O)Nc2ccccc2)cn1 ZINC000048350662 172181769 /nfs/dbraw/zinc/18/17/69/172181769.db2.gz VGHGKLBEUTWUTB-UHFFFAOYSA-N 0 0 230.271 2.547 50 0 BFAARN CCn1cc(NC(=O)c2ccc(C)s2)cn1 ZINC000058377526 172183746 /nfs/dbraw/zinc/18/37/46/172183746.db2.gz NCCZMQAXZFOEPY-UHFFFAOYSA-N 0 0 235.312 2.525 50 0 BFAARN CCn1cc(NC(=O)c2ccccc2Cl)cn1 ZINC000058344555 172184150 /nfs/dbraw/zinc/18/41/50/172184150.db2.gz RBMXQIKSMITMKE-UHFFFAOYSA-N 0 0 249.701 2.809 50 0 BFAARN CCn1cc2cc(Br)ccc2n1 ZINC000039102570 172199605 /nfs/dbraw/zinc/19/96/05/172199605.db2.gz HQGWVFUIGSFDSL-UHFFFAOYSA-N 0 0 225.089 2.819 50 0 BFAARN CCn1ccc(NC(=O)Nc2cccc(C)c2)n1 ZINC000064556011 172201609 /nfs/dbraw/zinc/20/16/09/172201609.db2.gz UWDVTWXLRXJJPG-UHFFFAOYSA-N 0 0 244.298 2.855 50 0 BFAARN CCn1nccc1CNc1ccc(F)cc1F ZINC000002536427 172273621 /nfs/dbraw/zinc/27/36/21/172273621.db2.gz DBXBHNMBGQBGTN-UHFFFAOYSA-N 0 0 237.253 2.793 50 0 BFAARN CCn1nnc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000000090019 172285287 /nfs/dbraw/zinc/28/52/87/172285287.db2.gz BBXCLBFELFQYBE-UHFFFAOYSA-N 0 0 243.097 2.667 50 0 BFAARN CN(C(=O)OCC(F)(F)F)c1ccccc1 ZINC000032628723 172325294 /nfs/dbraw/zinc/32/52/94/172325294.db2.gz UOUSCJBWHWPHHQ-UHFFFAOYSA-N 0 0 233.189 2.822 50 0 BFAARN CN(C(=O)c1ccc(N)cc1)c1ccccc1 ZINC000000225995 172340364 /nfs/dbraw/zinc/34/03/64/172340364.db2.gz CRHKLAPXNLGNBS-UHFFFAOYSA-N 0 0 226.279 2.545 50 0 BFAARN CN(C(=O)c1cccc(N)c1)C1CCCCC1 ZINC000006645301 172342060 /nfs/dbraw/zinc/34/20/60/172342060.db2.gz QSSZFEXITQOVAN-UHFFFAOYSA-N 0 0 232.327 2.674 50 0 BFAARN CN(C)C(=O)/C=C/c1cc2ccccc2o1 ZINC000036824276 172353111 /nfs/dbraw/zinc/35/31/11/172353111.db2.gz AICTYQFPAWQYHY-BQYQJAHWSA-N 0 0 215.252 2.534 50 0 BFAARN CN(C)C(=O)CCc1ccc(C(F)(F)F)cc1 ZINC000069699690 172361235 /nfs/dbraw/zinc/36/12/35/172361235.db2.gz VYUWBMLPLOXVRO-UHFFFAOYSA-N 0 0 245.244 2.726 50 0 BFAARN CN(C)C(=S)Sc1ccsc1 ZINC000000334480 172393581 /nfs/dbraw/zinc/39/35/81/172393581.db2.gz SBHXHHFCPGGXCY-UHFFFAOYSA-N 0 0 203.357 2.687 50 0 BFAARN CN(C)C(=O)Sc1ccc(Cl)nc1 ZINC000238854580 172383671 /nfs/dbraw/zinc/38/36/71/172383671.db2.gz OKPPYJHRTJGXCY-UHFFFAOYSA-N 0 0 216.693 2.509 50 0 BFAARN CN(C)C(=O)c1cc(Cl)ccc1Cl ZINC000000060725 172387481 /nfs/dbraw/zinc/38/74/81/172387481.db2.gz FTVGIVMOPUSSRH-UHFFFAOYSA-N 0 0 218.083 2.695 50 0 BFAARN CN(C)C(=O)c1csc2ccccc12 ZINC000012909668 172393651 /nfs/dbraw/zinc/39/36/51/172393651.db2.gz ISDUZANRQFOSOL-UHFFFAOYSA-N 0 0 205.282 2.603 50 0 BFAARN CN(Cc1ccccc1)C(=O)CC(F)(F)F ZINC000040496603 172868400 /nfs/dbraw/zinc/86/84/00/172868400.db2.gz MLHIWEOJDOMOKD-UHFFFAOYSA-N 0 0 231.217 2.597 50 0 BFAARN CN1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000019929688 173166393 /nfs/dbraw/zinc/16/63/93/173166393.db2.gz KFCWIHUDWIRLEE-UHFFFAOYSA-N 0 0 220.703 2.809 50 0 biogenic BFAARN CN1[C@H](c2ccccc2)[C@H]1C(=O)c1ccccc1 ZINC000102665952 173204739 /nfs/dbraw/zinc/20/47/39/173204739.db2.gz NNCVFQYJJLNXGD-CKDQBVIESA-N 0 0 237.302 2.925 50 0 BFAARN CN1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 ZINC000039446175 173204777 /nfs/dbraw/zinc/20/47/77/173204777.db2.gz DAIVVDAWQFQQDF-ABAIWWIYSA-N 0 0 241.290 2.767 50 0 BFAARN CN1[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000057218370 173205067 /nfs/dbraw/zinc/20/50/67/173205067.db2.gz NNCVFQYJJLNXGD-BLBXNVQISA-N 0 0 237.302 2.925 50 0 BFAARN CN1c2ccccc2N(C)C1c1cccnc1 ZINC000000289265 173208554 /nfs/dbraw/zinc/20/85/54/173208554.db2.gz DGJIRYNNEJVSCJ-UHFFFAOYSA-N 0 0 225.295 2.666 50 0 BFAARN CNC(=O)CCSc1ccc(C)c(C)c1 ZINC000069385890 173263816 /nfs/dbraw/zinc/26/38/16/173263816.db2.gz LWDIWQRYOUZKMY-UHFFFAOYSA-N 0 0 223.341 2.532 50 0 BFAARN CNC(=O)CS[C@@H](C)c1ccc(Cl)cc1 ZINC000059932990 173279946 /nfs/dbraw/zinc/27/99/46/173279946.db2.gz GAQBESCLPRSQIS-QMMMGPOBSA-N 0 0 243.759 2.880 50 0 BFAARN CNC(=O)Nc1c(C)cccc1C(C)C ZINC000048344572 173292755 /nfs/dbraw/zinc/29/27/55/173292755.db2.gz ONRJTDWHTYMWOV-UHFFFAOYSA-N 0 0 206.289 2.870 50 0 BFAARN CNC(=O)Nc1cccc(Cl)c1Cl ZINC000000396347 173293102 /nfs/dbraw/zinc/29/31/02/173293102.db2.gz GCCCKLZMLIDIAX-UHFFFAOYSA-N 0 0 219.071 2.745 50 0 BFAARN CNC(=O)Oc1ccc(N(C)C)c(C(C)C)c1 ZINC000000400119 173293245 /nfs/dbraw/zinc/29/32/45/173293245.db2.gz VUOHCVUWIJECAN-UHFFFAOYSA-N 0 0 236.315 2.594 50 0 BFAARN CNC(=O)Oc1ccc(Cl)c(C)c1C ZINC000071774163 173293443 /nfs/dbraw/zinc/29/34/43/173293443.db2.gz UITRMWMRYAXFJJ-UHFFFAOYSA-N 0 0 213.664 2.675 50 0 BFAARN CNC(=O)Oc1cc(C)c(SC)c(C)c1 ZINC000002038975 173293476 /nfs/dbraw/zinc/29/34/76/173293476.db2.gz YFBPRJGDJKVWAH-UHFFFAOYSA-N 0 0 225.313 2.744 50 0 in-vitro BFAARN CNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000089385863 173300450 /nfs/dbraw/zinc/30/04/50/173300450.db2.gz MYUSZFSTDNYXDC-RKDXNWHRSA-N 0 0 243.228 2.555 50 0 BFAARN CNC(=O)c1cc(C)nc2c(C)cc(C)cc12 ZINC000064551769 173309588 /nfs/dbraw/zinc/30/95/88/173309588.db2.gz ZMQIQLQQSJIXHK-UHFFFAOYSA-N 0 0 228.295 2.520 50 0 BFAARN CNC(=O)c1ccc(N[C@H](C)CC(C)C)cc1 ZINC000036957745 173311177 /nfs/dbraw/zinc/31/11/77/173311177.db2.gz PSYXXQWONITOCQ-LLVKDONJSA-N 0 0 234.343 2.893 50 0 BFAARN CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000045164061 173311323 /nfs/dbraw/zinc/31/13/23/173311323.db2.gz NEHNXQATQXWGSW-UHFFFAOYSA-N 0 0 227.263 2.839 50 0 BFAARN CNC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000024002987 173311525 /nfs/dbraw/zinc/31/15/25/173311525.db2.gz BHCUBNMASJICOI-UHFFFAOYSA-N 0 0 223.275 2.617 50 0 BFAARN CNC(=O)c1sc(-c2ccsc2)nc1C ZINC000008102512 173315336 /nfs/dbraw/zinc/31/53/36/173315336.db2.gz SGZNAMKGNAARFL-UHFFFAOYSA-N 0 0 238.337 2.540 50 0 BFAARN CNc1cc(-c2ccccc2F)nc2ccnn21 ZINC000072419335 173471793 /nfs/dbraw/zinc/47/17/93/173471793.db2.gz HVRVJYUYNYFWMP-UHFFFAOYSA-N 0 0 242.257 2.577 50 0 BFAARN CNc1nnc(-c2ccccc2Cl)s1 ZINC000000546209 173489448 /nfs/dbraw/zinc/48/94/48/173489448.db2.gz HTPVLPHKYAUTCV-UHFFFAOYSA-N 0 0 225.704 2.900 50 0 BFAARN COC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000012336846 173507377 /nfs/dbraw/zinc/50/73/77/173507377.db2.gz CDZJDEOJHDQJCR-UHFFFAOYSA-N 0 0 212.676 2.791 50 0 BFAARN COC(=O)CCC(=O)c1cccc2ccccc21 ZINC000001600596 173527303 /nfs/dbraw/zinc/52/73/03/173527303.db2.gz YCDARDMYSRGGGV-UHFFFAOYSA-N 0 0 242.274 2.976 50 0 BFAARN COC(=O)COc1ccc(Cl)cc1Cl ZINC000000057288 173614428 /nfs/dbraw/zinc/61/44/28/173614428.db2.gz HWIGZMADSFQMOI-UHFFFAOYSA-N 0 0 235.066 2.545 50 0 in-vitro BFAARN COC(=O)C[C@@H](C)c1cn(C)c2ccccc12 ZINC000002548276 173625425 /nfs/dbraw/zinc/62/54/25/173625425.db2.gz QIOUBQLAFUPETC-SNVBAGLBSA-N 0 0 231.295 2.845 50 0 BFAARN COC(=O)N[C@H](C)c1cc(C)ccc1C ZINC000013320930 173660609 /nfs/dbraw/zinc/66/06/09/173660609.db2.gz HRJSIZLICYYFEB-SNVBAGLBSA-N 0 0 207.273 2.720 50 0 BFAARN COC(=O)[C@H](C)c1ccc2cc(O)ccc2c1 ZINC000031776627 173790418 /nfs/dbraw/zinc/79/04/18/173790418.db2.gz RKDCLWDNCOUHGF-SECBINFHSA-N 0 0 230.263 2.822 50 0 BFAARN COC(=O)c1cc(F)c(F)c(C(F)(F)F)c1 ZINC000095215885 173858174 /nfs/dbraw/zinc/85/81/74/173858174.db2.gz ODXPBGBSDXMEII-UHFFFAOYSA-N 0 0 240.127 2.770 50 0 BFAARN COC(=O)c1cc2c([nH]1)c(Cl)ccc2OC ZINC000002534080 173863063 /nfs/dbraw/zinc/86/30/63/173863063.db2.gz OKAPNIURSGGVGK-UHFFFAOYSA-N 0 0 239.658 2.617 50 0 BFAARN COC(=O)c1cccc(Br)c1C ZINC000021994061 173893032 /nfs/dbraw/zinc/89/30/32/173893032.db2.gz MKQQTCSBXHAYQL-UHFFFAOYSA-N 0 0 229.073 2.544 50 0 in-vitro BFAARN COC(=O)c1sc(-c2cccc(O)c2)nc1C ZINC000049836835 173922003 /nfs/dbraw/zinc/92/20/03/173922003.db2.gz LYNDSXWVXDEJMV-UHFFFAOYSA-N 0 0 249.291 2.611 50 0 BFAARN COCC(=O)Nc1cccc(OC2CCCC2)c1 ZINC000029022045 174059769 /nfs/dbraw/zinc/05/97/69/174059769.db2.gz GRRJXAQIFXGQJI-UHFFFAOYSA-N 0 0 249.310 2.593 50 0 BFAARN COCC(=O)Nc1ccccc1SC(C)C ZINC000096473550 174060612 /nfs/dbraw/zinc/06/06/12/174060612.db2.gz RDAIOCYAFVVVTQ-UHFFFAOYSA-N 0 0 239.340 2.772 50 0 BFAARN COCCCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002059535 174245204 /nfs/dbraw/zinc/24/52/04/174245204.db2.gz WJXQEVIXGBAIJP-UHFFFAOYSA-N 0 0 249.354 2.750 50 0 BFAARN COCCCOc1ccc(N)cc1C(F)(F)F ZINC000014630202 174257291 /nfs/dbraw/zinc/25/72/91/174257291.db2.gz VHWMENURIZMCAB-UHFFFAOYSA-N 0 0 249.232 2.703 50 0 BFAARN COCCCSCc1csc(C)n1 ZINC000195571489 174258494 /nfs/dbraw/zinc/25/84/94/174258494.db2.gz IOFLGLXFGVCURD-UHFFFAOYSA-N 0 0 217.359 2.721 50 0 BFAARN COCCCSCc1cnc(C)s1 ZINC000195571490 174258736 /nfs/dbraw/zinc/25/87/36/174258736.db2.gz IQMFBJCIYVQBBA-UHFFFAOYSA-N 0 0 217.359 2.721 50 0 BFAARN COCCCSC[C@H]1CCC(C)(C)O1 ZINC000225436981 174258832 /nfs/dbraw/zinc/25/88/32/174258832.db2.gz XUHGYJQZNFMTEB-SNVBAGLBSA-N 0 0 218.362 2.714 50 0 BFAARN COCCOc1ccc(Br)c(F)c1 ZINC000078468892 174367260 /nfs/dbraw/zinc/36/72/60/174367260.db2.gz LOVPCTBFGLBNFT-UHFFFAOYSA-N 0 0 249.079 2.613 50 0 BFAARN COCCc1ccccc1Br ZINC000002173136 174423331 /nfs/dbraw/zinc/42/33/31/174423331.db2.gz QXOAJUVEMRWHQT-UHFFFAOYSA-N 0 0 215.090 2.638 50 0 BFAARN COC[C@H](C)Nc1cccc(N(C)C(C)C)c1 ZINC000097095636 174553527 /nfs/dbraw/zinc/55/35/27/174553527.db2.gz SBNGETKQOVGHSH-LBPRGKRZSA-N 0 0 236.359 2.978 50 0 BFAARN CO[C@@H](C)C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000089893407 174675783 /nfs/dbraw/zinc/67/57/83/174675783.db2.gz IMOIJRNFKWLOJD-NSHDSACASA-N 0 0 235.327 2.808 50 0 BFAARN COc1c(C)[nH]c(C(=O)OC(C)(C)C)c1C ZINC000000398691 174919200 /nfs/dbraw/zinc/91/92/00/174919200.db2.gz KPWGERIKGPRVQX-UHFFFAOYSA-N 0 0 225.288 2.595 50 0 BFAARN COc1cc(C(=O)N2CCCCC2)ccc1C ZINC000032780610 174945606 /nfs/dbraw/zinc/94/56/06/174945606.db2.gz BKJRSKLXZKJAKU-UHFFFAOYSA-N 0 0 233.311 2.630 50 0 BFAARN COc1cc(NC(=O)CC(C)C)cc(OC)c1 ZINC000009366259 174998241 /nfs/dbraw/zinc/99/82/41/174998241.db2.gz WAGNOWDMMZLROJ-UHFFFAOYSA-N 0 0 237.299 2.688 50 0 BFAARN COc1cc2c(C)c(CO)[nH]c2cc1Cl ZINC000096029619 175018774 /nfs/dbraw/zinc/01/87/74/175018774.db2.gz JJFSXLSEZRSOGC-UHFFFAOYSA-N 0 0 225.675 2.631 50 0 BFAARN COc1ccc(C(F)(F)F)cc1C=O ZINC000002510732 175070247 /nfs/dbraw/zinc/07/02/47/175070247.db2.gz WFRURKYDETYZGF-UHFFFAOYSA-N 0 0 204.147 2.527 50 0 BFAARN COc1cc2ccc(Cl)nc2cc1OC ZINC000057218762 175027479 /nfs/dbraw/zinc/02/74/79/175027479.db2.gz UJSZVZXINMWJKC-UHFFFAOYSA-N 0 0 223.659 2.905 50 0 BFAARN COc1ccc(-c2c[nH]c(=S)[nH]2)cc1 ZINC000004770388 175030359 /nfs/dbraw/zinc/03/03/59/175030359.db2.gz ZGWRBVZEHVWOEZ-UHFFFAOYSA-N 0 0 206.270 2.748 50 0 BFAARN COc1ccc(-c2ccc(=S)[nH]n2)cc1OC ZINC000041300671 175032692 /nfs/dbraw/zinc/03/26/92/175032692.db2.gz WUOMAKKLKQKDIA-UHFFFAOYSA-N 0 0 248.307 2.823 50 0 BFAARN COc1ccc(-c2ccc(CO)cc2)cc1 ZINC000000730810 175033152 /nfs/dbraw/zinc/03/31/52/175033152.db2.gz GVRSPKZCGUMKFK-UHFFFAOYSA-N 0 0 214.264 2.855 50 0 BFAARN COc1ccc(-c2nc3ccccc3o2)cn1 ZINC000067447072 175040957 /nfs/dbraw/zinc/04/09/57/175040957.db2.gz NVTJGZVUXUXVHB-UHFFFAOYSA-N 0 0 226.235 2.898 50 0 BFAARN COc1ccc(-n2cc[nH]c2=S)cc1 ZINC000003356995 175043995 /nfs/dbraw/zinc/04/39/95/175043995.db2.gz LIEBCNQPMNARMP-UHFFFAOYSA-N 0 0 206.270 2.543 50 0 BFAARN COc1ccc(C(=O)C(C)C)c(OC)c1 ZINC000034766041 175052639 /nfs/dbraw/zinc/05/26/39/175052639.db2.gz MVENPJDBCYLCIX-UHFFFAOYSA-N 0 0 208.257 2.543 50 0 BFAARN COc1ccc(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)o1 ZINC000077471344 175063615 /nfs/dbraw/zinc/06/36/15/175063615.db2.gz DZDDGZAPJLVLIQ-DCAQKATOSA-N 0 0 249.310 2.597 50 0 BFAARN COc1ccc(C(=O)c2sccc2C)cn1 ZINC000043210664 175067216 /nfs/dbraw/zinc/06/72/16/175067216.db2.gz NLHCKFIXIFVLBH-UHFFFAOYSA-N 0 0 233.292 2.691 50 0 BFAARN COc1ccc(C(C)=O)cc1CSC ZINC000035613140 175068743 /nfs/dbraw/zinc/06/87/43/175068743.db2.gz FUKMWVBQFDMCKG-UHFFFAOYSA-N 0 0 210.298 2.761 50 0 BFAARN COc1ccc(C)cc1-n1nc2ccccc2n1 ZINC000000035116 175073176 /nfs/dbraw/zinc/07/31/76/175073176.db2.gz UKIGOZLXUVBVSS-UHFFFAOYSA-N 0 0 239.278 2.738 50 0 BFAARN COc1ccc(C)cc1CNCc1ccco1 ZINC000007736193 175076036 /nfs/dbraw/zinc/07/60/36/175076036.db2.gz CWWKEUHTWQAYOW-UHFFFAOYSA-N 0 0 231.295 2.886 50 0 BFAARN COc1ccc(C)cc1[C@@H](C)NC(=O)NC1CC1 ZINC000022095940 175079344 /nfs/dbraw/zinc/07/93/44/175079344.db2.gz CTHMFICNENYNLD-SNVBAGLBSA-N 0 0 248.326 2.526 50 0 BFAARN COc1ccc(C)cc1[C@@H](C)NC(=O)C1CC1 ZINC000008129568 175079514 /nfs/dbraw/zinc/07/95/14/175079514.db2.gz SWTSAUWLBPIWNT-SNVBAGLBSA-N 0 0 233.311 2.591 50 0 BFAARN COc1ccc(Cl)cc1Cn1ccccc1=O ZINC000032888177 175121233 /nfs/dbraw/zinc/12/12/33/175121233.db2.gz ZAWUGYYOJCIPLT-UHFFFAOYSA-N 0 0 249.697 2.559 50 0 BFAARN COc1ccc(F)c(NC(=O)CC(C)C)c1 ZINC000088210687 175125958 /nfs/dbraw/zinc/12/59/58/175125958.db2.gz UNFBGAZHDBVQAN-UHFFFAOYSA-N 0 0 225.263 2.819 50 0 BFAARN COc1ccc(NC(=O)CC2CCC2)cc1 ZINC000000446478 175141970 /nfs/dbraw/zinc/14/19/70/175141970.db2.gz NMLFUFGWMFFQEY-UHFFFAOYSA-N 0 0 219.284 2.824 50 0 BFAARN COc1ccc(NC(=O)CCc2ccco2)cc1 ZINC000012598981 175141973 /nfs/dbraw/zinc/14/19/73/175141973.db2.gz VGXBQMJPLVPHHR-UHFFFAOYSA-N 0 0 245.278 2.860 50 0 BFAARN COc1ccc(NC(=O)[C@H]2CC=CCC2)cc1 ZINC000007652321 175146611 /nfs/dbraw/zinc/14/66/11/175146611.db2.gz SPEBUFWPYUKDBU-NSHDSACASA-N 0 0 231.295 2.990 50 0 BFAARN COc1ccc(NC(=O)c2cc(C)on2)c(C)c1 ZINC000013326283 175147487 /nfs/dbraw/zinc/14/74/87/175147487.db2.gz RVPIBXFNMMHVIS-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1ccc(N[C@H]2CCCCC2=O)cc1 ZINC000000398877 175155450 /nfs/dbraw/zinc/15/54/50/175155450.db2.gz LTZCUDNVQLDYPS-LBPRGKRZSA-N 0 0 219.284 2.619 50 0 BFAARN COc1ccc(Nc2ccc(Cl)nn2)cc1 ZINC000000552996 175156160 /nfs/dbraw/zinc/15/61/60/175156160.db2.gz KAZQXCYNQKFGGI-UHFFFAOYSA-N 0 0 235.674 2.882 50 0 BFAARN COc1ccc(OC(F)(F)F)cc1[C@@H](C)O ZINC000015442990 175162833 /nfs/dbraw/zinc/16/28/33/175162833.db2.gz DKUPMKWSJITPFC-ZCFIWIBFSA-N 0 0 236.189 2.647 50 0 BFAARN COc1ccc(OC)c(NC(=O)c2ccoc2)c1 ZINC000008776792 175167054 /nfs/dbraw/zinc/16/70/54/175167054.db2.gz WJJFYSUOMTUSEU-UHFFFAOYSA-N 0 0 247.250 2.549 50 0 BFAARN COc1ccc(OC)c2c1-c1ccccc1C2=O ZINC000000382916 175170631 /nfs/dbraw/zinc/17/06/31/175170631.db2.gz WAZFWQLGOHYIGJ-UHFFFAOYSA-N 0 0 240.258 2.915 50 0 BFAARN COc1ccc(Oc2ccnc(Cl)n2)cc1 ZINC000040448070 175173706 /nfs/dbraw/zinc/17/37/06/175173706.db2.gz YCCIKDNPVQXGAP-UHFFFAOYSA-N 0 0 236.658 2.931 50 0 BFAARN COc1ccc([C@@H](C)O)cc1Br ZINC000012506486 175177799 /nfs/dbraw/zinc/17/77/99/175177799.db2.gz KQHQGTDOJDHQGX-ZCFIWIBFSA-N 0 0 231.089 2.511 50 0 BFAARN COc1ccc([C@@H]2CC(=O)C(C)(C)O2)cc1 ZINC000000484928 175181663 /nfs/dbraw/zinc/18/16/63/175181663.db2.gz AAJJPLKUORUBGJ-NSHDSACASA-N 0 0 220.268 2.504 50 0 biogenic BFAARN COc1ccc2c(c1)nc(C)[nH]c2=S ZINC000015781091 175203570 /nfs/dbraw/zinc/20/35/70/175203570.db2.gz XZDBLENMVALAHT-UHFFFAOYSA-N 0 0 206.270 2.609 50 0 BFAARN COc1ccc2c(Cl)nc(Cl)nc2c1 ZINC000026894499 175204548 /nfs/dbraw/zinc/20/45/48/175204548.db2.gz DJLGBZOLTZXCHN-UHFFFAOYSA-N 0 0 229.066 2.945 50 0 BFAARN COc1ccc2c(c1)CC[C@@]1(C)C2=CC[C@H]1O ZINC000071774149 175210040 /nfs/dbraw/zinc/21/00/40/175210040.db2.gz CVDBQWXONDFFGQ-CABCVRRESA-N 0 0 230.307 2.796 50 0 BFAARN COc1ccc2cc([C@H](C)O)ccc2c1 ZINC000004071865 175224378 /nfs/dbraw/zinc/22/43/78/175224378.db2.gz OUVJWFRUESFCCY-VIFPVBQESA-N 0 0 202.253 2.902 50 0 in-vitro BFAARN COc1ccc2nc(Cl)c(Cl)nc2c1 ZINC000000050684 175229194 /nfs/dbraw/zinc/22/91/94/175229194.db2.gz NFJQDGNCJJPQNV-UHFFFAOYSA-N 0 0 229.066 2.945 50 0 BFAARN COc1cccc(-c2ccc(C=O)cc2)n1 ZINC000020442904 175234148 /nfs/dbraw/zinc/23/41/48/175234148.db2.gz OQYLQLAVBZSSDL-UHFFFAOYSA-N 0 0 213.236 2.570 50 0 BFAARN COc1cccc(-c2cccc(NC(C)=O)c2)n1 ZINC000032541497 175235518 /nfs/dbraw/zinc/23/55/18/175235518.db2.gz XRGWYLHTLMYBFB-UHFFFAOYSA-N 0 0 242.278 2.716 50 0 BFAARN COc1cccc(C(=O)N2CCC[C@H](C)C2)c1 ZINC000000030017 175243157 /nfs/dbraw/zinc/24/31/57/175243157.db2.gz JWAHRASSBJEHBM-NSHDSACASA-N 0 0 233.311 2.567 50 0 BFAARN COc1cccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000000284701 175243685 /nfs/dbraw/zinc/24/36/85/175243685.db2.gz AKECETWCFXSJHA-RYUDHWBXSA-N 0 0 247.338 2.813 50 0 BFAARN COc1cccc(C(=O)c2ccc(F)cc2F)n1 ZINC000045028754 175246873 /nfs/dbraw/zinc/24/68/73/175246873.db2.gz ZTFJBNLRSCIHPF-UHFFFAOYSA-N 0 0 249.216 2.599 50 0 BFAARN COc1cccc(C(=O)c2ccccc2)c1 ZINC000002378495 175246898 /nfs/dbraw/zinc/24/68/98/175246898.db2.gz VMFJVWPCRCAWBS-UHFFFAOYSA-N 0 0 212.248 2.926 50 0 BFAARN COc1cccc(C(=O)c2ccnc(C)c2)c1 ZINC000045038421 175247269 /nfs/dbraw/zinc/24/72/69/175247269.db2.gz HRQRJPJBUYDREX-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1cccc(C(=O)c2cccc(C)c2C)n1 ZINC000045028771 175247283 /nfs/dbraw/zinc/24/72/83/175247283.db2.gz CILPASKYFOLKQQ-UHFFFAOYSA-N 0 0 241.290 2.938 50 0 BFAARN COc1cccc(C(F)(F)F)c1OC ZINC000085650645 175247621 /nfs/dbraw/zinc/24/76/21/175247621.db2.gz JUIJOGIBDMYFSG-UHFFFAOYSA-N 0 0 206.163 2.723 50 0 BFAARN COc1cccc(C(=O)c2cccc(OC)c2)c1 ZINC000002574623 175247664 /nfs/dbraw/zinc/24/76/64/175247664.db2.gz CRMSZGRTWXOBKL-UHFFFAOYSA-N 0 0 242.274 2.935 50 0 BFAARN COc1cccc(C=O)c1OCC(C)C ZINC000034924785 175249186 /nfs/dbraw/zinc/24/91/86/175249186.db2.gz CYLWMLRTRHTPFH-UHFFFAOYSA-N 0 0 208.257 2.543 50 0 BFAARN COc1cccc(CNC(=O)C2CCCCC2)c1 ZINC000006847973 175261792 /nfs/dbraw/zinc/26/17/92/175261792.db2.gz NFJAQDWILMYMIB-UHFFFAOYSA-N 0 0 247.338 2.892 50 0 BFAARN COc1cccc(CNC(=O)[C@H]2CC=CCC2)c1 ZINC000025422549 175262705 /nfs/dbraw/zinc/26/27/05/175262705.db2.gz JIECKBPOWUGXFY-ZDUSSCGKSA-N 0 0 245.322 2.668 50 0 BFAARN COc1cccc(CNC(=O)c2cccs2)c1 ZINC000003419905 175263569 /nfs/dbraw/zinc/26/35/69/175263569.db2.gz NUIYOQQHFRWQOP-UHFFFAOYSA-N 0 0 247.319 2.687 50 0 BFAARN COc1cccc(N)c1NC(=O)OC(C)(C)C ZINC000064033703 175275077 /nfs/dbraw/zinc/27/50/77/175275077.db2.gz DGOXKILXOLITHS-UHFFFAOYSA-N 0 0 238.287 2.624 50 0 BFAARN COc1cccc(OC)c1Oc1ccncc1 ZINC000071773175 175282572 /nfs/dbraw/zinc/28/25/72/175282572.db2.gz NBKUEAARIVSWLH-UHFFFAOYSA-N 0 0 231.251 2.891 50 0 BFAARN COc1cccc(S(=O)(=O)c2ccccc2)c1 ZINC000000400072 175284834 /nfs/dbraw/zinc/28/48/34/175284834.db2.gz RAYKFMBXKZRFBC-UHFFFAOYSA-N 0 0 248.303 2.528 50 0 BFAARN COc1cccc(S[C@@H](C)C(C)=O)c1 ZINC000035230716 175285518 /nfs/dbraw/zinc/28/55/18/175285518.db2.gz GVMIDHRWIQNRDA-VIFPVBQESA-N 0 0 210.298 2.765 50 0 BFAARN COc1cccc([C@@H]2CCCC[C@@H]2O)c1OC ZINC000012371645 175289887 /nfs/dbraw/zinc/28/98/87/175289887.db2.gz XJDQMUVUAKSPLF-JQWIXIFHSA-N 0 0 236.311 2.722 50 0 BFAARN COc1cccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000005696806 175292131 /nfs/dbraw/zinc/29/21/31/175292131.db2.gz CXLVKRUTZUTCPU-OUJBWJOFSA-N 0 0 233.311 2.528 50 0 BFAARN COc1cccc([C@H](C)Sc2nc[nH]n2)c1 ZINC000083595076 175293839 /nfs/dbraw/zinc/29/38/39/175293839.db2.gz NVKSEHQZEIRVEE-QMMMGPOBSA-N 0 0 235.312 2.667 50 0 BFAARN COc1cccc([C@H](C)Sc2cn[nH]n2)c1 ZINC000089905284 175293843 /nfs/dbraw/zinc/29/38/43/175293843.db2.gz JDBLUALIVJKCSC-QMMMGPOBSA-N 0 0 235.312 2.667 50 0 BFAARN COc1cccc([C@H](O)Cc2ccccc2)c1 ZINC000000344492 175294901 /nfs/dbraw/zinc/29/49/01/175294901.db2.gz BCOIOUFGMAXMQK-OAHLLOKOSA-N 0 0 228.291 2.971 50 0 BFAARN COc1cccc([S@](=O)CC2CCCC2)c1 ZINC000097033803 175297466 /nfs/dbraw/zinc/29/74/66/175297466.db2.gz FUADSRWTTQBFSI-INIZCTEOSA-N 0 0 238.352 2.993 50 0 BFAARN COc1cccc2c1[C@@H]1[C@H]3[C@@H]1[C@@H]2[C@H]1C=C[C@@H]31 ZINC000248264319 175306014 /nfs/dbraw/zinc/30/60/14/175306014.db2.gz YCSMNJDXPUOOSB-RGPOTRPASA-N 0 0 210.276 2.938 50 0 BFAARN COc1ccccc1-c1ccc(C(N)=S)cc1 ZINC000032101287 175308790 /nfs/dbraw/zinc/30/87/90/175308790.db2.gz JBDYPDHMFSDANG-UHFFFAOYSA-N 0 0 243.331 2.996 50 0 BFAARN COc1ccccc1-c1ccc(CO)cc1 ZINC000004204280 175309197 /nfs/dbraw/zinc/30/91/97/175309197.db2.gz UQVHCYYRTNOJTQ-UHFFFAOYSA-N 0 0 214.264 2.855 50 0 BFAARN COc1ccccc1-c1noc(COC(C)C)n1 ZINC000020992157 175311581 /nfs/dbraw/zinc/31/15/81/175311581.db2.gz RRSGARNEPKYPFA-UHFFFAOYSA-N 0 0 248.282 2.670 50 0 BFAARN COc1ccccc1/C=C/C(=O)N1CCCCC1 ZINC000000573322 175313684 /nfs/dbraw/zinc/31/36/84/175313684.db2.gz ABJWBHHWQDWHJS-MDZDMXLPSA-N 0 0 245.322 2.721 50 0 BFAARN COc1ccccc1C(=S)N1CCCCC1 ZINC000000193224 175320144 /nfs/dbraw/zinc/32/01/44/175320144.db2.gz ZAGJGXGBOJSVGE-UHFFFAOYSA-N 0 0 235.352 2.857 50 0 BFAARN COc1ccccc1CCCn1cccn1 ZINC000096002064 175323019 /nfs/dbraw/zinc/32/30/19/175323019.db2.gz FJMBWXKFFUPXSK-UHFFFAOYSA-N 0 0 216.284 2.525 50 0 BFAARN COc1ccccc1CNC(=O)C1CCCC1 ZINC000003614966 175328630 /nfs/dbraw/zinc/32/86/30/175328630.db2.gz LYWLHXAJLPSBEP-UHFFFAOYSA-N 0 0 233.311 2.502 50 0 BFAARN COc1ccccc1Cc1noc(C(C)(C)C)n1 ZINC000000441832 175334995 /nfs/dbraw/zinc/33/49/95/175334995.db2.gz WLYMYWVQOXNNOI-UHFFFAOYSA-N 0 0 246.310 2.967 50 0 BFAARN COc1ccccc1NC(=O)c1occc1C ZINC000000252877 175336691 /nfs/dbraw/zinc/33/66/91/175336691.db2.gz JENQCVPLERTMDF-UHFFFAOYSA-N 0 0 231.251 2.849 50 0 BFAARN COc1ccccc1Nc1nc(C)cc(C)n1 ZINC000009411252 175339516 /nfs/dbraw/zinc/33/95/16/175339516.db2.gz SACRLESGJIHCMH-UHFFFAOYSA-N 0 0 229.283 2.846 50 0 BFAARN COc1ccccc1NC1N=NC(=S)S1 ZINC000000097343 175339671 /nfs/dbraw/zinc/33/96/71/175339671.db2.gz YSTOHGZAZWZINJ-UHFFFAOYSA-N 0 0 239.325 2.579 50 0 BFAARN COc1ccccc1SCC(C)(C)O ZINC000041030924 175343279 /nfs/dbraw/zinc/34/32/79/175343279.db2.gz YOXWFXVDTZBYLD-UHFFFAOYSA-N 0 0 212.314 2.558 50 0 BFAARN COc1ccccc1S[C@@H](C)C(C)=O ZINC000041031050 175343619 /nfs/dbraw/zinc/34/36/19/175343619.db2.gz GRRIALSICPVTAF-VIFPVBQESA-N 0 0 210.298 2.765 50 0 BFAARN COc1ccccc1[C@@H](C)NC(=O)C=C(C)C ZINC000023154556 175344724 /nfs/dbraw/zinc/34/47/24/175344724.db2.gz MWASXIHQRPILFL-LLVKDONJSA-N 0 0 233.311 2.839 50 0 BFAARN COc1ccccc1[C@H](C)NC(=O)[C@H]1C[C@H]1C ZINC000048390879 175350629 /nfs/dbraw/zinc/35/06/29/175350629.db2.gz TXWFSBOJKQKTNF-SCVCMEIPSA-N 0 0 233.311 2.528 50 0 BFAARN COc1nc(C)c(NC(=O)OC(C)(C)C)s1 ZINC000307085635 175389405 /nfs/dbraw/zinc/38/94/05/175389405.db2.gz JPLASHLWMCNUDQ-UHFFFAOYSA-N 0 0 244.316 2.807 50 0 BFAARN COc1nc(Cl)ccc1Br ZINC000065337581 175392525 /nfs/dbraw/zinc/39/25/25/175392525.db2.gz NPCVTFQTUUYXQP-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN COc1ncc(C)cc1NC(=O)C1CCCC1 ZINC000098016179 175397876 /nfs/dbraw/zinc/39/78/76/175397876.db2.gz NVSRIZLQBYUUDF-UHFFFAOYSA-N 0 0 234.299 2.527 50 0 BFAARN CSCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000032819591 175457644 /nfs/dbraw/zinc/45/76/44/175457644.db2.gz LNNPJHCRDUFQKP-MNOVXSKESA-N 0 0 227.373 2.531 50 0 BFAARN CSCC[C@H](C)N(C)c1ncccc1F ZINC000096483050 175505478 /nfs/dbraw/zinc/50/54/78/175505478.db2.gz DEAAAQRWAPLADP-VIFPVBQESA-N 0 0 228.336 2.799 50 0 BFAARN CSc1cccc(CN(C)c2ccncn2)c1 ZINC000091894803 175579843 /nfs/dbraw/zinc/57/98/43/175579843.db2.gz ODCPHSANXWBLEZ-UHFFFAOYSA-N 0 0 245.351 2.835 50 0 BFAARN CSc1ncc(Br)cc1C ZINC000086032245 175589653 /nfs/dbraw/zinc/58/96/53/175589653.db2.gz OAWBRQROKUPTAK-UHFFFAOYSA-N 0 0 218.119 2.874 50 0 BFAARN CSc1nnc(-c2sc(C)nc2C)o1 ZINC000040493624 175590616 /nfs/dbraw/zinc/59/06/16/175590616.db2.gz NCYJEHUYAHAMCG-UHFFFAOYSA-N 0 0 227.314 2.532 50 0 BFAARN C[C@@H](C(=O)N(C)C)c1ccc(Cl)s1 ZINC000089905015 175600524 /nfs/dbraw/zinc/60/05/24/175600524.db2.gz VGSZTDOFMUUHFY-ZCFIWIBFSA-N 0 0 217.721 2.593 50 0 BFAARN C[C@@H](CC(=O)Nc1cc[nH]n1)c1ccc(F)cc1 ZINC000049449497 175642804 /nfs/dbraw/zinc/64/28/04/175642804.db2.gz LZVJUWYYNUZCQJ-VIFPVBQESA-N 0 0 247.273 2.681 50 0 BFAARN C[C@@H](Cc1ccoc1)NC(=O)Cc1ccsc1 ZINC000206718336 175776799 /nfs/dbraw/zinc/77/67/99/175776799.db2.gz FSGKTIIGUKOVID-JTQLQIEISA-N 0 0 249.335 2.631 50 0 BFAARN C[C@@H](NC(=O)C1CCC1)c1nc2ccccc2o1 ZINC000072245224 175827672 /nfs/dbraw/zinc/82/76/72/175827672.db2.gz DNYNQVPEMDKKMF-SECBINFHSA-N 0 0 244.294 2.805 50 0 BFAARN C[C@@H](NC(=O)c1ccco1)c1cccs1 ZINC000021358969 175850378 /nfs/dbraw/zinc/85/03/78/175850378.db2.gz MULFSDKNAAIJQY-MRVPVSSYSA-N 0 0 221.281 2.832 50 0 BFAARN C[C@@H](O)c1nc(-c2ccccc2)cs1 ZINC000057218736 176000163 /nfs/dbraw/zinc/00/01/63/176000163.db2.gz PYECMWLNMKANBM-MRVPVSSYSA-N 0 0 205.282 2.863 50 0 BFAARN C[C@@H](O)c1ncc(C(F)(F)F)cc1Cl ZINC000001390372 176000813 /nfs/dbraw/zinc/00/08/13/176000813.db2.gz IOSFJFKGYDWBRF-SCSAIBSYSA-N 0 0 225.597 2.807 50 0 BFAARN C[C@@H](OCC(F)(F)F)C(=O)Nc1ccccc1 ZINC000040092842 176002205 /nfs/dbraw/zinc/00/22/05/176002205.db2.gz WVHHCDAKNFEQEF-MRVPVSSYSA-N 0 0 247.216 2.593 50 0 BFAARN C[C@@H](Oc1ccccc1)c1n[nH]c(=S)n1C ZINC000005954528 176005834 /nfs/dbraw/zinc/00/58/34/176005834.db2.gz OBQMSUPVWZLDOP-MRVPVSSYSA-N 0 0 235.312 2.618 50 0 BFAARN C[C@@H](c1ccccc1)N(C)C(=O)c1ccccn1 ZINC000032721750 176019337 /nfs/dbraw/zinc/01/93/37/176019337.db2.gz PYNLCISMNFZWOO-LBPRGKRZSA-N 0 0 240.306 2.915 50 0 BFAARN C[C@@H](c1cccnc1)N(C)Cc1ccncc1 ZINC000065374520 176029051 /nfs/dbraw/zinc/02/90/51/176029051.db2.gz UBSJWWPHWSOSTH-LBPRGKRZSA-N 0 0 227.311 2.670 50 0 BFAARN C[C@@H]1C(=O)O[C@@H](c2ccccc2)C(C)(C)C1=O ZINC000000194873 176047295 /nfs/dbraw/zinc/04/72/95/176047295.db2.gz UMJRKBNYWMJTJT-CABZTGNLSA-N 0 0 232.279 2.516 50 0 BFAARN C[C@@H]1CC2=C(CC1(CO)CO)C(C)(C)CCC2 ZINC000000360708 176057558 /nfs/dbraw/zinc/05/75/58/176057558.db2.gz CHMPDCQZTABMHZ-LLVKDONJSA-N 0 0 238.371 2.894 50 0 biogenic BFAARN C[C@@H]1CCCCN1C(=O)Cc1cccc(F)c1 ZINC000075496673 176067260 /nfs/dbraw/zinc/06/72/60/176067260.db2.gz HBFRQJZVZRIEPX-LLVKDONJSA-N 0 0 235.302 2.769 50 0 BFAARN C[C@@H]1CCCC[N@@H+]1[C@@H](C(=O)[O-])c1ccccc1 ZINC000005487009 176075312 /nfs/dbraw/zinc/07/53/12/176075312.db2.gz PIIALDQBBNGPDU-DGCLKSJQSA-N 0 0 233.311 2.687 50 0 BFAARN C[C@@H]1CCCCN1c1ccc(F)cc1N ZINC000019868029 176075878 /nfs/dbraw/zinc/07/58/78/176075878.db2.gz LVYNPHQIJBOKOQ-SECBINFHSA-N 0 0 208.280 2.787 50 0 BFAARN C[C@@H]1CCCC[C@H]1CNc1ncnc2oncc21 ZINC000225503722 176085592 /nfs/dbraw/zinc/08/55/92/176085592.db2.gz QWGILTNSMCZXBD-ZJUUUORDSA-N 0 0 246.314 2.856 50 0 BFAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccco1 ZINC000000141613 176087627 /nfs/dbraw/zinc/08/76/27/176087627.db2.gz KOISEUVREFEOEJ-NXEZZACHSA-N 0 0 207.273 2.588 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000019813407 176095235 /nfs/dbraw/zinc/09/52/35/176095235.db2.gz PUQGZFKUNICEDQ-SECBINFHSA-N 0 0 238.718 2.607 50 0 BFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(C2CC2)on1 ZINC000013363675 176115208 /nfs/dbraw/zinc/11/52/08/176115208.db2.gz NUDNIKYFPABEBH-NXEZZACHSA-N 0 0 248.326 2.955 50 0 BFAARN C[C@@H]1CCC[C@@H](CC[N@@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000237580590 176117437 /nfs/dbraw/zinc/11/74/37/176117437.db2.gz OMAFQQGOPKTRBJ-FRRDWIJNSA-N 0 0 239.359 2.752 50 0 BFAARN C[C@@H]1CCC[C@@H](CSc2nncn2C)C1 ZINC000092199098 176119473 /nfs/dbraw/zinc/11/94/73/176119473.db2.gz JVCPIIVYJIBDRV-NXEZZACHSA-N 0 0 225.361 2.734 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)/C=C/c2cccnc2)C1 ZINC000033185054 176141422 /nfs/dbraw/zinc/14/14/22/176141422.db2.gz XTTALFPNMRPTQE-KHAURHHGSA-N 0 0 244.338 2.790 50 0 BFAARN C[C@@H]1CCc2c(sc3ncnc(N(C)C)c23)C1 ZINC000006111399 176239310 /nfs/dbraw/zinc/23/93/10/176239310.db2.gz SYQYGMYLOKJBRT-MRVPVSSYSA-N 0 0 247.367 2.882 50 0 BFAARN C[C@@H]1CCc2nc(NC(=O)C3CC3)sc2C1 ZINC000003264888 176240485 /nfs/dbraw/zinc/24/04/85/176240485.db2.gz FSKSWBHISHRICV-SSDOTTSWSA-N 0 0 236.340 2.616 50 0 BFAARN C[C@@H]1CN(C(=O)C(C)(C)C)Cc2ccccc2O1 ZINC000082353548 176242078 /nfs/dbraw/zinc/24/20/78/176242078.db2.gz SMZRRRUDGDEHOE-LLVKDONJSA-N 0 0 247.338 2.842 50 0 BFAARN C[C@@H]1C[N@H+](CCCC(=O)[O-])[C@H]1c1ccccc1 ZINC000299753676 176288277 /nfs/dbraw/zinc/28/82/77/176288277.db2.gz YYGVVKJGQUULKB-BXUZGUMPSA-N 0 0 233.311 2.544 50 0 BFAARN C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000019607042 176303269 /nfs/dbraw/zinc/30/32/69/176303269.db2.gz KNIIMCBPRMMBRM-GHMZBOCLSA-N 0 0 239.746 2.949 50 0 BFAARN C[C@@H]1CN(Cc2cccc(Cl)c2)[C@H](C)CO1 ZINC000045784347 176305727 /nfs/dbraw/zinc/30/57/27/176305727.db2.gz UEEJOQPFVHHBPB-GHMZBOCLSA-N 0 0 239.746 2.949 50 0 BFAARN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000299747161 176313825 /nfs/dbraw/zinc/31/38/25/176313825.db2.gz CFSFGSDZQVOUKJ-MBNYWOFBSA-N 0 0 247.338 2.585 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N(C)CC1CCCCC1 ZINC000043979900 176384093 /nfs/dbraw/zinc/38/40/93/176384093.db2.gz DSAMOXVUXWYRKI-PWSUYJOCSA-N 0 0 209.333 2.681 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000124287354 176384451 /nfs/dbraw/zinc/38/44/51/176384451.db2.gz WAHFAXNUZGJZTJ-DTZPQEEQSA-N 0 0 247.382 2.926 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N(C)c1nc2ccccc2s1 ZINC000026955933 176384508 /nfs/dbraw/zinc/38/45/08/176384508.db2.gz GXQRXFIDWBAKBZ-BDAKNGLRSA-N 0 0 246.335 2.915 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NCc1nc2ccccc2s1 ZINC000013012708 176386510 /nfs/dbraw/zinc/38/65/10/176386510.db2.gz XOOHHYBKKRISRR-BDAKNGLRSA-N 0 0 246.335 2.569 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NCc1ccc(Cl)s1 ZINC000025521831 176386951 /nfs/dbraw/zinc/38/69/51/176386951.db2.gz RTIWXPPOCRZDDI-SVRRBLITSA-N 0 0 229.732 2.674 50 0 BFAARN C[C@@H]1Cc2cc(Br)ccc2C1=O ZINC000034384576 176449759 /nfs/dbraw/zinc/44/97/59/176449759.db2.gz GMWXCOYOQNIWPE-ZCFIWIBFSA-N 0 0 225.085 2.824 50 0 BFAARN C[C@H](Cc1cccnc1)OC(=O)c1ccsc1 ZINC000095463461 176725045 /nfs/dbraw/zinc/72/50/45/176725045.db2.gz UBYKTTHGSHFBDI-SNVBAGLBSA-N 0 0 247.319 2.931 50 0 BFAARN C[C@H](NC(=O)NC1CC1)c1ccc(Cl)cc1 ZINC000012937111 176800244 /nfs/dbraw/zinc/80/02/44/176800244.db2.gz MEBYBYIPRAQKIM-QMMMGPOBSA-N 0 0 238.718 2.863 50 0 BFAARN C[C@H](O)c1ccccc1NC(=O)c1ccccc1 ZINC000034082871 177017939 /nfs/dbraw/zinc/01/79/39/177017939.db2.gz MUTYBRCSBLSQCI-NSHDSACASA-N 0 0 241.290 2.992 50 0 BFAARN C[C@H](O)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000040410243 177018614 /nfs/dbraw/zinc/01/86/14/177018614.db2.gz BRURGSKWINBYTO-LURJTMIESA-N 0 0 244.216 2.645 50 0 BFAARN C[C@H](OC(=O)Cc1ccccc1)C(F)(F)F ZINC000002172758 177019189 /nfs/dbraw/zinc/01/91/89/177019189.db2.gz WHGKRESXPNJCGE-QMMMGPOBSA-N 0 0 232.201 2.723 50 0 BFAARN C[C@H](Oc1ccccc1)C(=O)N1CCCCCC1 ZINC000000030746 177023709 /nfs/dbraw/zinc/02/37/09/177023709.db2.gz VWAAHLGLSXESJF-ZDUSSCGKSA-N 0 0 247.338 2.857 50 0 BFAARN C[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC1CCC1 ZINC000237441505 177038389 /nfs/dbraw/zinc/03/83/89/177038389.db2.gz AWUSRMAGFUYQDU-GFCCVEGCSA-N 0 0 247.338 2.934 50 0 BFAARN C[C@H](c1nc(-c2ccsc2)no1)n1ccnc1 ZINC000078773711 177051997 /nfs/dbraw/zinc/05/19/97/177051997.db2.gz QRTCFHIKCZISKD-MRVPVSSYSA-N 0 0 246.295 2.604 50 0 BFAARN C[C@H](c1nc(-c2cccs2)no1)N1CCCC1 ZINC000065565745 177052369 /nfs/dbraw/zinc/05/23/69/177052369.db2.gz SVFONNXIYMKIID-SECBINFHSA-N 0 0 249.339 2.955 50 0 BFAARN C[C@H]1CC(=O)N1C12CC3CC(CC(C3)C1)C2 ZINC000005723320 177062538 /nfs/dbraw/zinc/06/25/38/177062538.db2.gz HGQHHCUMJFCKFI-BRZBPJHZSA-N 0 0 219.328 2.576 50 0 BFAARN C[C@H]1CC(=O)c2c(oc3ccccc3c2=O)C1 ZINC000000993465 177063214 /nfs/dbraw/zinc/06/32/14/177063214.db2.gz DBDBFLJHIBTNRK-QMMMGPOBSA-N 0 0 228.247 2.558 50 0 BFAARN C[C@H]1CC(C)(C)N2C(=O)C(=O)c3cc(F)cc1c32 ZINC000253495908 177064223 /nfs/dbraw/zinc/06/42/23/177064223.db2.gz VHPJWBSXCPEYMH-ZETCQYMHSA-N 0 0 247.269 2.641 50 0 BFAARN C[C@H]1CCCC[C@@H]1NC1N=NC(=S)S1 ZINC000006383293 177083253 /nfs/dbraw/zinc/08/32/53/177083253.db2.gz VPEXGPZGXPUORY-BQBZGAKWSA-N 0 0 229.374 2.817 50 0 BFAARN C[C@H]1CCCC[C@H]1NC(=O)Nc1nccs1 ZINC000042738137 177088021 /nfs/dbraw/zinc/08/80/21/177088021.db2.gz NCQOCTSLTFRBEN-DTWKUNHWSA-N 0 0 239.344 2.843 50 0 BFAARN C[C@H]1CCCC[C@H]1NC1N=NC(=S)S1 ZINC000006383295 177089613 /nfs/dbraw/zinc/08/96/13/177089613.db2.gz VPEXGPZGXPUORY-NKWVEPMBSA-N 0 0 229.374 2.817 50 0 BFAARN C[C@H]1CCCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC000130446106 177091715 /nfs/dbraw/zinc/09/17/15/177091715.db2.gz AATZITGSAXRFEE-QWHCGFSZSA-N 0 0 239.359 2.594 50 0 BFAARN C[C@H]1CCCN(c2ncncc2Cl)CC1 ZINC000097166121 177105261 /nfs/dbraw/zinc/10/52/61/177105261.db2.gz ZABKNJDCIXKHMZ-VIFPVBQESA-N 0 0 225.723 2.756 50 0 BFAARN C[C@@H]1CCC[C@H](C)N1C(=O)/C=C\c1ccccn1 ZINC000096258907 177115067 /nfs/dbraw/zinc/11/50/67/177115067.db2.gz WSZUVDRMUVAGNK-WCULEZNASA-N 0 0 244.338 2.884 50 0 BFAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(N)c1 ZINC000012410534 177116368 /nfs/dbraw/zinc/11/63/68/177116368.db2.gz AUTUHEFLBFXENV-PHIMTYICSA-N 0 0 232.327 2.672 50 0 BFAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(N)c1 ZINC000000129489 177130949 /nfs/dbraw/zinc/13/09/49/177130949.db2.gz AUTUHEFLBFXENV-QWRGUYRKSA-N 0 0 232.327 2.672 50 0 BFAARN C[C@H]1CCC[C@@]2(C1)Nc1ccccc1C(=O)N2 ZINC000066128177 177144408 /nfs/dbraw/zinc/14/44/08/177144408.db2.gz QFNGBFKANBGZQH-IINYFYTJSA-N 0 0 230.311 2.748 50 0 BFAARN C[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC000095626809 177151173 /nfs/dbraw/zinc/15/11/73/177151173.db2.gz RYCYZQNRKAYABF-QMMMGPOBSA-N 0 0 235.274 2.899 50 0 BFAARN C[C@@H]1CO[C@@H](C)CN1C(=O)CCC1CCCC1 ZINC000045446162 177215147 /nfs/dbraw/zinc/21/51/47/177215147.db2.gz NXIITIGPLXYQIE-NEPJUHHUSA-N 0 0 239.359 2.593 50 0 BFAARN C[C@H]1CN(Cc2ccccc2Cl)C[C@H](C)O1 ZINC000019607244 177265690 /nfs/dbraw/zinc/26/56/90/177265690.db2.gz WIZYVZWLXIGLSO-QWRGUYRKSA-N 0 0 239.746 2.949 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000012916163 177340174 /nfs/dbraw/zinc/34/01/74/177340174.db2.gz BEYWKICFLRGLEB-KWQFWETISA-N 0 0 223.703 2.612 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000000372123 177340635 /nfs/dbraw/zinc/34/06/35/177340635.db2.gz JLDUFFNPANUXPU-CABZTGNLSA-N 0 0 237.730 2.655 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)NCCc1ccccc1Cl ZINC000067084375 177340649 /nfs/dbraw/zinc/34/06/49/177340649.db2.gz UEKGVEDTFXERPX-ONGXEEELSA-N 0 0 237.730 2.655 50 0 BFAARN C[C@H](CCc1ccccc1)NC(=O)[C@H]1C[C@@H]1C ZINC000016971382 177340961 /nfs/dbraw/zinc/34/09/61/177340961.db2.gz ODKGPKDUWUIWBK-SCRDCRAPSA-N 0 0 231.339 2.780 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)NCc1ccccc1Cl ZINC000000372113 177341040 /nfs/dbraw/zinc/34/10/40/177341040.db2.gz NMOUSSKELMDEIW-WPRPVWTQSA-N 0 0 223.703 2.612 50 0 BFAARN C[C@H]1C[C@H](C)CN(C(=O)Cc2cccs2)C1 ZINC000001456512 177357490 /nfs/dbraw/zinc/35/74/90/177357490.db2.gz BZZMDFFKTWQPAE-QWRGUYRKSA-N 0 0 237.368 2.795 50 0 BFAARN C[C@H]1C[C@H](C)CN(C(=O)Nc2nccs2)C1 ZINC000042652123 177357612 /nfs/dbraw/zinc/35/76/12/177357612.db2.gz TYGHVSXSDWGKSL-IUCAKERBSA-N 0 0 239.344 2.653 50 0 BFAARN C[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F ZINC000000372133 177377198 /nfs/dbraw/zinc/37/71/98/177377198.db2.gz FQBRESKKJAUMQD-POYBYMJQSA-N 0 0 211.211 2.559 50 0 BFAARN Cc1c(Cl)nc(C2CC2)nc1Cl ZINC000071790336 177605818 /nfs/dbraw/zinc/60/58/18/177605818.db2.gz AEKXEKPMZIZYLD-UHFFFAOYSA-N 0 0 203.072 2.969 50 0 in-vitro BFAARN Cc1ccccc1[C@@H]1C[C@H]1Nc1ncccn1 ZINC000077230303 487771136 /nfs/dbraw/zinc/77/11/36/487771136.db2.gz YJJDSJDIQIHMFA-QWHCGFSZSA-N 0 0 225.295 2.753 50 0 BFAARN Cc1ccccc1[C@H]1C[C@@H]1Nc1ncccn1 ZINC000077230301 487771187 /nfs/dbraw/zinc/77/11/87/487771187.db2.gz YJJDSJDIQIHMFA-OLZOCXBDSA-N 0 0 225.295 2.753 50 0 BFAARN CC(=O)Nc1ccc(-c2cnc(C)o2)cc1 ZINC000043965612 487800743 /nfs/dbraw/zinc/80/07/43/487800743.db2.gz ULOQYANUUCAZPA-UHFFFAOYSA-N 0 0 216.240 2.608 50 0 BFAARN Cc1cc(F)cc(-c2cc(N(C)C)ncn2)c1 ZINC000534574406 323153784 /nfs/dbraw/zinc/15/37/84/323153784.db2.gz CPCDHIHPKVNYEO-UHFFFAOYSA-N 0 0 231.274 2.657 50 0 BFAARN CCSc1cccc(-c2cnn(CCO)c2)c1 ZINC000534587804 323154353 /nfs/dbraw/zinc/15/43/53/323154353.db2.gz UJSMGNQQVFOVLG-UHFFFAOYSA-N 0 0 248.351 2.654 50 0 BFAARN Cc1n[nH]cc1-c1ccc(C(F)(F)F)nc1 ZINC000534590844 323154454 /nfs/dbraw/zinc/15/44/54/323154454.db2.gz LIUKORYZXZWDTL-UHFFFAOYSA-N 0 0 227.189 2.799 50 0 BFAARN CCn1nccc1-c1nnc(C)c2ccccc21 ZINC000534639491 323157248 /nfs/dbraw/zinc/15/72/48/323157248.db2.gz NFQYQHCSRLDZCK-UHFFFAOYSA-N 0 0 238.294 2.822 50 0 BFAARN Cc1n[nH]c(C)c1-c1ccc2c(cnn2C)c1 ZINC000534655200 323157767 /nfs/dbraw/zinc/15/77/67/323157767.db2.gz RUVRFELHGMHXQG-UHFFFAOYSA-N 0 0 226.283 2.580 50 0 BFAARN Cc1n[nH]c(C)c1-c1ccc2c(c1)OCCC2=O ZINC000534648627 323158189 /nfs/dbraw/zinc/15/81/89/323158189.db2.gz NIZWHVMGHKQBLQ-UHFFFAOYSA-N 0 0 242.278 2.659 50 0 BFAARN CCCOc1ccc(-c2c[nH]nc2C)cc1CO ZINC000534664249 323159148 /nfs/dbraw/zinc/15/91/48/323159148.db2.gz QLZRWOZZGLXQMH-UHFFFAOYSA-N 0 0 246.310 2.666 50 0 BFAARN C[C@@H](CO)C[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000034547106 323235580 /nfs/dbraw/zinc/23/55/80/323235580.db2.gz TXYKIWVDOYTMFS-AGIUHOORSA-N 0 0 249.354 2.518 50 0 BFAARN C=CCOC(=O)OC1=CC(=O)CCC[C@@H]1C ZINC000043198611 323236813 /nfs/dbraw/zinc/23/68/13/323236813.db2.gz FJEAVKQWWXNSKM-VIFPVBQESA-N 0 0 224.256 2.599 50 0 BFAARN CC[C@@H](C)C[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000212036052 323238759 /nfs/dbraw/zinc/23/87/59/323238759.db2.gz GEXRCMDAIKGSBL-LLVKDONJSA-N 0 0 247.338 2.789 50 0 BFAARN Cc1cc(C)c(C(=O)NC[C@H]2CCCO2)c(C)c1 ZINC000000029091 487470746 /nfs/dbraw/zinc/47/07/46/487470746.db2.gz JLXUHPWYSWGUMW-CYBMUJFWSA-N 0 0 247.338 2.521 50 0 BFAARN O=C(Cc1ccccc1)OCC1CCC1 ZINC000670431824 487484343 /nfs/dbraw/zinc/48/43/43/487484343.db2.gz IRPFLZYCQCHQJO-UHFFFAOYSA-N 0 0 204.269 2.572 50 0 BFAARN CCCCn1ncnc1[C@@H](C)N1CCCCC1 ZINC000670457276 487510474 /nfs/dbraw/zinc/51/04/74/487510474.db2.gz MACKLDHIAZARCL-GFCCVEGCSA-N 0 0 236.363 2.625 50 0 BFAARN CCC(=O)NC(=S)Nc1cc(C)cc(C)c1 ZINC000000570213 490040002 /nfs/dbraw/zinc/04/00/02/490040002.db2.gz BEFODDCJBXXFIF-UHFFFAOYSA-N 0 0 236.340 2.526 50 0 BFAARN CCCC(C)(C)Nc1ccc(C(N)=O)cc1 ZINC000526058854 490105767 /nfs/dbraw/zinc/10/57/67/490105767.db2.gz XBJTZGNQAWNFRJ-UHFFFAOYSA-N 0 0 220.316 2.776 50 0 BFAARN Cn1ccc2c1nccc2-c1cccc(O)c1 ZINC000072147065 490282950 /nfs/dbraw/zinc/28/29/50/490282950.db2.gz BHDVFJNUZSSMBI-UHFFFAOYSA-N 0 0 224.263 2.946 50 0 BFAARN C[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cn1 ZINC000077011303 490326970 /nfs/dbraw/zinc/32/69/70/490326970.db2.gz NYGTZRSBDZWBCF-QMMMGPOBSA-N 0 0 240.278 2.806 50 0 BFAARN COc1ncccc1NC(=O)C1CCCCC1 ZINC000049055948 491083740 /nfs/dbraw/zinc/08/37/40/491083740.db2.gz MTIVTLLIWBUPCM-UHFFFAOYSA-N 0 0 234.299 2.609 50 0 BFAARN Nc1ncnc2sc3c(c21)CCCCC3 ZINC000004363396 491084893 /nfs/dbraw/zinc/08/48/93/491084893.db2.gz WKVBWBRXKVWYEO-UHFFFAOYSA-N 0 0 219.313 2.542 50 0 BFAARN Cn1ccnc1SCc1cccnc1Cl ZINC000052727338 491107680 /nfs/dbraw/zinc/10/76/80/491107680.db2.gz PBGWSIHRSBOGMO-UHFFFAOYSA-N 0 0 239.731 2.761 50 0 BFAARN CCCc1noc([C@@H](C)N2CCC(C)CC2)n1 ZINC000044583985 491112870 /nfs/dbraw/zinc/11/28/70/491112870.db2.gz LNXVJBMAFGTAFV-LLVKDONJSA-N 0 0 237.347 2.815 50 0 BFAARN CC(C)CC(=O)OCCc1ccccc1 ZINC000001584050 574411286 /nfs/dbraw/zinc/41/12/86/574411286.db2.gz JIMGVOCOYZFDKB-UHFFFAOYSA-N 0 0 206.285 2.818 50 0 endogenous,in-man BFAARN Cc1ccc(CC(=O)NCC(C)C)c(C)c1 ZINC000072437669 533748559 /nfs/dbraw/zinc/74/85/59/533748559.db2.gz UEZYRVQTYOKZQJ-UHFFFAOYSA-N 0 0 219.328 2.618 50 0 BFAARN CC(C)Cc1ccc(CNCc2cc[nH]n2)cc1 ZINC000088296645 519438916 /nfs/dbraw/zinc/43/89/16/519438916.db2.gz JVXGDVJJRJDTCZ-UHFFFAOYSA-N 0 0 243.354 2.898 50 0 BFAARN CC(C)CCc1nnc(NCc2ccco2)o1 ZINC000181967449 519698384 /nfs/dbraw/zinc/69/83/84/519698384.db2.gz FQQNMQKCFWXDSY-UHFFFAOYSA-N 0 0 235.287 2.863 50 0 BFAARN Oc1ccc([C@@H](O)C(Cl)(Cl)Cl)cc1 ZINC000000477336 534454988 /nfs/dbraw/zinc/45/49/88/534454988.db2.gz BEGKQLRDEXUNOY-SSDOTTSWSA-N 0 0 241.501 2.796 50 0 BFAARN CCCCCNC(=O)[C@@H](C)Oc1ccccc1 ZINC000002748003 520212175 /nfs/dbraw/zinc/21/21/75/520212175.db2.gz MZDBBEVHNYTQDD-GFCCVEGCSA-N 0 0 235.327 2.760 50 0 BFAARN CCCCCNC(=O)[C@H](C)Oc1ccccc1 ZINC000002748004 520218441 /nfs/dbraw/zinc/21/84/41/520218441.db2.gz MZDBBEVHNYTQDD-LBPRGKRZSA-N 0 0 235.327 2.760 50 0 BFAARN CCCC[C@@H](CC)COCCN1CCOCC1 ZINC000019911996 521034996 /nfs/dbraw/zinc/03/49/96/521034996.db2.gz YAQPSASHYXBWDP-CQSZACIVSA-N 0 0 243.391 2.552 50 0 BFAARN COC[C@@H](NCc1ccc(C)o1)c1ccc(C)o1 ZINC000078975473 522361772 /nfs/dbraw/zinc/36/17/72/522361772.db2.gz PLXVAVXHVDNDLR-CYBMUJFWSA-N 0 0 249.310 2.967 50 0 BFAARN CCn1cncc1CN(C)Cc1ccc(C)s1 ZINC000244626508 523572534 /nfs/dbraw/zinc/57/25/34/523572534.db2.gz FNBCBINFSVGJAO-UHFFFAOYSA-N 0 0 249.383 2.905 50 0 BFAARN CN(C)C(=O)CCCSc1cccc(F)c1 ZINC000188069236 523978718 /nfs/dbraw/zinc/97/87/18/523978718.db2.gz APQHDUASUOAMRZ-UHFFFAOYSA-N 0 0 241.331 2.786 50 0 BFAARN CC(=O)N1CCC[C@H]1c1ccc(C)s1 ZINC000095397280 534775846 /nfs/dbraw/zinc/77/58/46/534775846.db2.gz ZBDBGAJHQXDRPR-JTQLQIEISA-N 0 0 209.314 2.740 50 0 BFAARN COc1ccccc1C[C@@H](C)CC(=O)NC(C)C ZINC000071884523 524496981 /nfs/dbraw/zinc/49/69/81/524496981.db2.gz UWMMYMXTALBBAH-GFCCVEGCSA-N 0 0 249.354 2.789 50 0 BFAARN CC(C)(C)OC(=O)N1CCCc2cc(N)ccc21 ZINC000035055813 534834438 /nfs/dbraw/zinc/83/44/38/534834438.db2.gz DWDAWBIUBAENFF-UHFFFAOYSA-N 0 0 248.326 2.957 50 0 BFAARN Cc1ccsc1CNC(=O)CCc1ccco1 ZINC000025720426 525848291 /nfs/dbraw/zinc/84/82/91/525848291.db2.gz ZXUXXARZXSNRKT-UHFFFAOYSA-N 0 0 249.335 2.899 50 0 BFAARN CCCC1CCC(C[N@H+](C)CC(=O)[O-])CC1 ZINC000263446780 534917691 /nfs/dbraw/zinc/91/76/91/534917691.db2.gz YCERUQDGBSAGOB-UHFFFAOYSA-N 0 0 227.348 2.609 50 0 BFAARN O=C(C1CC1)N(Cc1ccco1)Cc1ccco1 ZINC000058344082 526283526 /nfs/dbraw/zinc/28/35/26/526283526.db2.gz KQMREVDTVGOEDT-UHFFFAOYSA-N 0 0 245.278 2.811 50 0 BFAARN O=C(C[C@H]1C=CCC1)NCc1ccccc1F ZINC000039978463 527156428 /nfs/dbraw/zinc/15/64/28/527156428.db2.gz BGNDYMOHHFIBBM-NSHDSACASA-N 0 0 233.286 2.798 50 0 BFAARN O=C(Cc1ccsc1)NOCc1ccccc1 ZINC000025037565 527318074 /nfs/dbraw/zinc/31/80/74/527318074.db2.gz GDBHVYUUCJQZSD-UHFFFAOYSA-N 0 0 247.319 2.539 50 0 BFAARN CCCC[C@@]1(C)NC(=O)N(c2ccccc2C)N1 ZINC000334160685 534958958 /nfs/dbraw/zinc/95/89/58/534958958.db2.gz JVMOXIVUWQUSGA-AWEZNQCLSA-N 0 0 247.342 2.936 50 0 BFAARN CC(C)(CF)NC(=O)Nc1ccsc1 ZINC000335498980 535063805 /nfs/dbraw/zinc/06/38/05/535063805.db2.gz BZFUIGGZMBFGGE-UHFFFAOYSA-N 0 0 216.281 2.618 50 0 BFAARN CC(C)CN1c2ccccc2[C@@H](C(N)=O)C[C@H]1C ZINC000071811781 535147138 /nfs/dbraw/zinc/14/71/38/535147138.db2.gz VTGDSTLWPQUNJA-YPMHNXCESA-N 0 0 246.354 2.510 50 0 BFAARN CCC(=O)N1CCC[C@H](CC(F)(F)F)C1 ZINC000335489306 535305811 /nfs/dbraw/zinc/30/58/11/535305811.db2.gz VATXIZPNUABMSD-MRVPVSSYSA-N 0 0 223.238 2.587 50 0 BFAARN C[C@H]1c2ccsc2CCN1c1cnc(F)cn1 ZINC000853096346 588719772 /nfs/dbraw/zinc/71/97/72/588719772.db2.gz YHEQCGVEBLEHJP-QMMMGPOBSA-N 0 0 249.314 2.801 50 0 BFAARN COc1cc(-c2ccc(F)cc2C=O)ccn1 ZINC000234932053 582498835 /nfs/dbraw/zinc/49/88/35/582498835.db2.gz DEIMFMOQQNSGKT-UHFFFAOYSA-N 0 0 231.226 2.709 50 0 BFAARN COC(=O)c1cccc(-c2cncn2C(C)C)c1 ZINC000261167618 582903702 /nfs/dbraw/zinc/90/37/02/582903702.db2.gz XUPZGHQIYOHDSL-UHFFFAOYSA-N 0 0 244.294 2.918 50 0 BFAARN Cc1ccc(C(=O)OCC2CSC2)c(F)c1 ZINC000888099641 583181122 /nfs/dbraw/zinc/18/11/22/583181122.db2.gz UCWMPYSJQFJAOE-UHFFFAOYSA-N 0 0 240.299 2.654 50 0 BFAARN C(=C\c1ccnnc1)\c1ccn(-c2ccccc2)n1 ZINC000888105054 583185114 /nfs/dbraw/zinc/18/51/14/583185114.db2.gz FUILIJLIEWZMOP-SREVYHEPSA-N 0 0 248.289 2.833 50 0 BFAARN C=CC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000848979433 588422214 /nfs/dbraw/zinc/42/22/14/588422214.db2.gz WMKVOZSWMDJNSZ-JQWIXIFHSA-N 0 0 233.286 2.716 50 0 BFAARN C=CC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000848979132 588422801 /nfs/dbraw/zinc/42/28/01/588422801.db2.gz FUJBPJDTSHGDLY-BDAKNGLRSA-N 0 0 235.249 2.657 50 0 BFAARN C=CC(=O)NCc1cc2cc(C)ccc2o1 ZINC000863970170 589329761 /nfs/dbraw/zinc/32/97/61/589329761.db2.gz CAVSCBCXGPAYPD-UHFFFAOYSA-N 0 0 215.252 2.543 50 0 BFAARN C=CC(=O)NCCc1cc2ccccc2s1 ZINC000863971134 589330368 /nfs/dbraw/zinc/33/03/68/589330368.db2.gz GSOSYAKWXAFTOL-UHFFFAOYSA-N 0 0 231.320 2.746 50 0 BFAARN C=CC(=O)N1CCSc2ccc(Cl)cc21 ZINC000863971417 589330500 /nfs/dbraw/zinc/33/05/00/589330500.db2.gz SHJUHMSEXKJENX-UHFFFAOYSA-N 0 0 239.727 2.965 50 0 BFAARN C=CC(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000863971360 589330793 /nfs/dbraw/zinc/33/07/93/589330793.db2.gz QFUFJNCMJZNCKW-UHFFFAOYSA-N 0 0 237.209 2.556 50 0 BFAARN COc1ccc(/C=C\c2noc(C)c2N)cc1 ZINC000083292703 631423605 /nfs/dbraw/zinc/42/36/05/631423605.db2.gz SPZBRFKVWZLTKE-YVMONPNESA-N 0 0 230.267 2.744 50 0 BFAARN c1cc(-c2cccc(-c3cnccn3)c2)n[nH]1 ZINC000023192359 632074254 /nfs/dbraw/zinc/07/42/54/632074254.db2.gz MZSVBZPMLPZBND-UHFFFAOYSA-N 0 0 222.251 2.534 50 0 BFAARN Cc1nc(C)c(C)c(-c2ccc(N(C)C)nc2)n1 ZINC000426442838 635723256 /nfs/dbraw/zinc/72/32/56/635723256.db2.gz FNBGYEKLFBSXAF-UHFFFAOYSA-N 0 0 242.326 2.530 50 0 BFAARN CC(=O)c1c(-c2cc(C)ccc2F)cnn1C ZINC000426578523 635732093 /nfs/dbraw/zinc/73/20/93/635732093.db2.gz BYPASNNWSHIWIK-UHFFFAOYSA-N 0 0 232.258 2.737 50 0 BFAARN CCn1ncnc1-c1cc(C)ccc1C ZINC000426528043 636012473 /nfs/dbraw/zinc/01/24/73/636012473.db2.gz RMYKDEIOSDNEKF-UHFFFAOYSA-N 0 0 201.273 2.582 50 0 BFAARN Cc1nnc(NC23CC4CC(CC(C4)C2)C3)o1 ZINC000004020884 633930092 /nfs/dbraw/zinc/93/00/92/633930092.db2.gz FQENNNCAGUVRKT-UHFFFAOYSA-N 0 0 233.315 2.759 50 0 BFAARN c1ccc(Cc2nc3n(n2)Cc2ccccc2-3)cc1 ZINC000006760588 635185720 /nfs/dbraw/zinc/18/57/20/635185720.db2.gz NDONVOAJMOYCEJ-UHFFFAOYSA-N 0 0 247.301 2.898 50 0 BFAARN FC(F)OCCOc1ccnc2ccccc21 ZINC000888095747 635369255 /nfs/dbraw/zinc/36/92/55/635369255.db2.gz AKNOQTPJXOYSHK-UHFFFAOYSA-N 0 0 239.221 2.853 50 0 BFAARN COCc1cccc(-c2ccc3c(c2)CCN3)n1 ZINC000888096131 635374033 /nfs/dbraw/zinc/37/40/33/635374033.db2.gz UVLHXQAZFZNEED-UHFFFAOYSA-N 0 0 240.306 2.863 50 0 BFAARN CCCCCc1nc2ccccc2c(=O)[nH]1 ZINC000032167140 636513929 /nfs/dbraw/zinc/51/39/29/636513929.db2.gz ZFDMQFNZNRCSQN-UHFFFAOYSA-N 0 0 216.284 2.656 50 0 BFAARN C=CC(=O)NCC1(c2ccccc2Cl)CC1 ZINC000863971490 636732786 /nfs/dbraw/zinc/73/27/86/636732786.db2.gz VJBHETGIENXTOT-UHFFFAOYSA-N 0 0 235.714 2.674 50 0 BFAARN O=C1CC[C@]2(c3ccccc3)CCCC[C@H]2N1 ZINC000022339830 641204928 /nfs/dbraw/zinc/20/49/28/641204928.db2.gz XYFGEZKHSOPVRG-HIFRSBDPSA-N 0 0 229.323 2.777 50 0 BFAARN Cc1nc(/C=C/C(=O)NCCC(C)C)cs1 ZINC000032888179 641944066 /nfs/dbraw/zinc/94/40/66/641944066.db2.gz QAOZMZOEQWCUEU-SNAWJCMRSA-N 0 0 238.356 2.627 50 0 BFAARN Fc1ccccc1OCCCCn1ccnc1 ZINC000002494391 642394948 /nfs/dbraw/zinc/39/49/48/642394948.db2.gz ZYADNRUQSAZGRS-UHFFFAOYSA-N 0 0 234.274 2.881 50 0 BFAARN CN=c1sc(C)c(-c2ccc(F)cc2)n1C ZINC000254287891 642699502 /nfs/dbraw/zinc/69/95/02/642699502.db2.gz MSIQVRMVVBHVBD-UHFFFAOYSA-N 0 0 236.315 2.732 50 0 BFAARN O=CN1Cc2ccccc2-c2ccccc2C1 ZINC000000438735 642775465 /nfs/dbraw/zinc/77/54/65/642775465.db2.gz LSPRUQXPQKPRDQ-UHFFFAOYSA-N 0 0 223.275 2.826 50 0 BFAARN Cc1cc(NC(=O)CCC2CC2)n(C(C)C)n1 ZINC000020854937 643068653 /nfs/dbraw/zinc/06/86/53/643068653.db2.gz OADNDVFTDITFGD-UHFFFAOYSA-N 0 0 235.331 2.901 50 0 BFAARN CC[C@@H](C(=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000196972756 643650344 /nfs/dbraw/zinc/65/03/44/643650344.db2.gz FGXZNHOTGVPVGM-SNVBAGLBSA-N 0 0 227.348 2.654 50 0 BFAARN CCCCS(=O)(=O)Nc1ccccc1Cl ZINC000006725936 711739697 /nfs/dbraw/zinc/73/96/97/711739697.db2.gz JPPWTQPLPUHVPZ-UHFFFAOYSA-N 0 0 247.747 2.882 50 0 BFAARN COC(=N)c1ccc(Cl)cc1Cl ZINC000037928059 712787236 /nfs/dbraw/zinc/78/72/36/712787236.db2.gz MWCGZRCDBCNQIT-UHFFFAOYSA-N 0 0 204.056 2.965 50 0 BFAARN Cc1ccc2[nH]cc(-c3cnc(N)cn3)c2c1 ZINC000067817659 710991679 /nfs/dbraw/zinc/99/16/79/710991679.db2.gz DHGDSHMVBYWWER-UHFFFAOYSA-N 0 0 224.267 2.516 50 0 BFAARN Cc1cccc(CNc2nnc3n2CCCC3)c1 ZINC000159100636 711799859 /nfs/dbraw/zinc/79/98/59/711799859.db2.gz VYQAHSSMYSLIKG-UHFFFAOYSA-N 0 0 242.326 2.535 50 0 BFAARN CCOP(=O)(OCC)C(=O)N1CCCCC1 ZINC000005316330 970804698 /nfs/dbraw/zinc/80/46/98/970804698.db2.gz GNDWLOBZJOGSFK-UHFFFAOYSA-N 0 0 249.247 2.858 50 0 BFAARN C=CC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000952888246 974064520 /nfs/dbraw/zinc/06/45/20/974064520.db2.gz PKWHJNNNWRYYJW-YPMHNXCESA-N 0 0 215.296 2.577 50 0 BFAARN CCSCCSCn1cc(Cl)cn1 ZINC000585119034 972148036 /nfs/dbraw/zinc/14/80/36/972148036.db2.gz NIYGHXALJKNIHM-UHFFFAOYSA-N 0 0 236.793 2.980 50 0 BFAARN Cc1nc(-c2cc3c([nH]c2=O)[C@H](C)CCC3)no1 ZINC000585120421 972152171 /nfs/dbraw/zinc/15/21/71/972152171.db2.gz MNXVPPYDLCWDJU-SSDOTTSWSA-N 0 0 245.282 2.585 50 0 BFAARN OCc1ccc(F)cc1-c1cc(C2CC2)no1 ZINC000585120464 972152274 /nfs/dbraw/zinc/15/22/74/972152274.db2.gz ORSUEUABUMTXMP-UHFFFAOYSA-N 0 0 233.242 2.850 50 0 BFAARN CCCCCOCC(=O)N(C)c1ccsc1 ZINC000585127133 972161347 /nfs/dbraw/zinc/16/13/47/972161347.db2.gz QWIMGLNAOJCPMK-UHFFFAOYSA-N 0 0 241.356 2.918 50 0 BFAARN C[C@@H](c1ccc(F)nc1)N1CCC=C(F)C1 ZINC000585133195 972169247 /nfs/dbraw/zinc/16/92/47/972169247.db2.gz AKGUIHBYPBFEFZ-VIFPVBQESA-N 0 0 224.254 2.841 50 0 BFAARN COc1ccccc1CN=Nc1ccccn1 ZINC000017379285 962982291 /nfs/dbraw/zinc/98/22/91/962982291.db2.gz ZGQJHVJUJRXACN-UHFFFAOYSA-N 0 0 227.267 2.536 50 0 BFAARN COC(=O)c1csc(/C=C/Br)c1 ZINC000685963958 968092689 /nfs/dbraw/zinc/09/26/89/968092689.db2.gz KHBBSGUDUGSFKX-NSCUHMNNSA-N 0 0 247.113 2.900 50 0 BFAARN CCCn1nc(CC)nc1[C@H](C)n1cccc1 ZINC000823032986 968540502 /nfs/dbraw/zinc/54/05/02/968540502.db2.gz CDFBSLPHPGOIBV-NSHDSACASA-N 0 0 232.331 2.661 50 0 BFAARN CCSc1ccccc1NC(=O)c1c[nH]cn1 ZINC000823426742 968547276 /nfs/dbraw/zinc/54/72/76/968547276.db2.gz VAWLDKSKJVFQKL-UHFFFAOYSA-N 0 0 247.323 2.774 50 0 BFAARN CCc1nc(Cc2ccc(F)c(C)c2)n(CC)n1 ZINC000823560466 968549228 /nfs/dbraw/zinc/54/92/28/968549228.db2.gz FGXFQSTWZJKAKD-UHFFFAOYSA-N 0 0 247.317 2.899 50 0 BFAARN Cc1ccc(-c2ncnc3sccc32)c(N)n1 ZINC000200499887 970112514 /nfs/dbraw/zinc/11/25/14/970112514.db2.gz MJITVFQIUSYYFJ-UHFFFAOYSA-N 0 0 242.307 2.644 50 0 BFAARN Cc1ccc(N[C@H]2CC[C@@H]2O)c(Cl)c1 ZINC000585298744 973909020 /nfs/dbraw/zinc/90/90/20/973909020.db2.gz CHQPLUREDGYDHH-QWRGUYRKSA-N 0 0 211.692 2.584 50 0 BFAARN c1ccc2c(c1)nccc2OC[C@H]1CCCO1 ZINC000585652440 973918035 /nfs/dbraw/zinc/91/80/35/973918035.db2.gz ZXZCLCIMLNXVDD-LLVKDONJSA-N 0 0 229.279 2.793 50 0 BFAARN c1ccc2nc(OC3CCSCC3)cnc2c1 ZINC000585652628 973918864 /nfs/dbraw/zinc/91/88/64/973918864.db2.gz QJDZMSJCPRZASU-UHFFFAOYSA-N 0 0 246.335 2.904 50 0 BFAARN CC(C)(C)c1ccc(OC2CCC2)nn1 ZINC000585652690 973919493 /nfs/dbraw/zinc/91/94/93/973919493.db2.gz SNQWKKXWHBTTRI-UHFFFAOYSA-N 0 0 206.289 2.705 50 0 BFAARN Cc1nc(OC[C@H]2CCCOC2)sc1C ZINC000585651497 973922163 /nfs/dbraw/zinc/92/21/63/973922163.db2.gz DIGYQKMDNGIFAF-JTQLQIEISA-N 0 0 227.329 2.565 50 0 BFAARN FC(F)(F)c1cccnc1O[C@H]1CCSC1 ZINC000585654773 973926680 /nfs/dbraw/zinc/92/66/80/973926680.db2.gz LOVOHTCXVPPQFF-ZETCQYMHSA-N 0 0 249.257 2.985 50 0 BFAARN CCCN(C(=O)c1ccnn1C)C1CCCCC1 ZINC000952862354 974048754 /nfs/dbraw/zinc/04/87/54/974048754.db2.gz OWPVGMMTRBHOMU-UHFFFAOYSA-N 0 0 249.358 2.605 50 0 BFAARN COCC1(CNc2ncc(C(C)C)cn2)CCC1 ZINC000952862873 974052308 /nfs/dbraw/zinc/05/23/08/974052308.db2.gz REPXTGCFOXQEAI-UHFFFAOYSA-N 0 0 249.358 2.829 50 0 BFAARN Cc1nc(Cn2cc(C3CCC3)cn2)c(C)[nH]1 ZINC000952884369 974060986 /nfs/dbraw/zinc/06/09/86/974060986.db2.gz ZHGBFKMVPLAWCI-UHFFFAOYSA-N 0 0 230.315 2.539 50 0 BFAARN C=CC(=O)N1CCCCc2sccc21 ZINC000952884926 974061417 /nfs/dbraw/zinc/06/14/17/974061417.db2.gz SHIASNRJPNPSSO-UHFFFAOYSA-N 0 0 207.298 2.603 50 0 BFAARN C/C(=C(\F)c1nc(-c2ccn(C)n2)no1)C1CC1 ZINC000952883027 974063732 /nfs/dbraw/zinc/06/37/32/974063732.db2.gz PRVSOKVXSHGORU-JXMROGBWSA-N 0 0 248.261 2.581 50 0 BFAARN C=CC(=O)N1CCC[C@H]1c1ccc(CC)o1 ZINC000952887802 974064803 /nfs/dbraw/zinc/06/48/03/974064803.db2.gz AHZKKVUPUTUJIX-NSHDSACASA-N 0 0 219.284 2.692 50 0 BFAARN CC1(C)CCC(=O)C[C@@H]1n1nnc2ccccc21 ZINC000005302952 980035381 /nfs/dbraw/zinc/03/53/81/980035381.db2.gz OOMFOUDIIHKLOL-ZDUSSCGKSA-N 0 0 243.310 2.752 50 0 BFAARN CCOC(=O)c1conc1-c1ccc(F)cc1 ZINC000000182914 983013953 /nfs/dbraw/zinc/01/39/53/983013953.db2.gz NECCSPHHKVUNMI-UHFFFAOYSA-N 0 0 235.214 2.657 50 0 BFAARN CCCO[C@@H]1CCCN(c2ccncc2F)C1 ZINC001506416016 988780526 /nfs/dbraw/zinc/78/05/26/988780526.db2.gz CUBATWUROCBYSS-LLVKDONJSA-N 0 0 238.306 2.616 50 0 BFAARN S=C1N=NC(c2ccc3sncc3c2)O1 ZINC001529592571 990356892 /nfs/dbraw/zinc/35/68/92/990356892.db2.gz KAPWYJLCFVMQHX-UHFFFAOYSA-N 0 0 235.293 2.635 50 0 BFAARN Cc1cc(C)cc(O[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000008558652 177914216 /nfs/dbraw/zinc/91/42/16/177914216.db2.gz HUUURKADICHXCJ-GFCCVEGCSA-N 0 0 249.354 2.985 50 0 BFAARN O=C1NCCCC[C@@H]1Sc1ccccc1F ZINC000040050608 346807581 /nfs/dbraw/zinc/80/75/81/346807581.db2.gz NGERTLNCMJOFRJ-NSHDSACASA-N 0 0 239.315 2.587 50 0 BFAARN Cc1cc(C)nc(NCCC[C@@H]2CCCCO2)n1 ZINC000302236196 177943593 /nfs/dbraw/zinc/94/35/93/177943593.db2.gz VMAFKZHDVKGBGO-ZDUSSCGKSA-N 0 0 249.358 2.855 50 0 BFAARN Cc1cc(C)nc(NCCc2ccccc2)n1 ZINC000000150089 177943620 /nfs/dbraw/zinc/94/36/20/177943620.db2.gz FBRQYDODYGIWOR-UHFFFAOYSA-N 0 0 227.311 2.748 50 0 BFAARN Cc1cc(C)nc(SCC(=O)C(C)(C)C)n1 ZINC000000617321 177948238 /nfs/dbraw/zinc/94/82/38/177948238.db2.gz FNXVDJGGZAWCOJ-UHFFFAOYSA-N 0 0 238.356 2.801 50 0 BFAARN CCC(CC)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000041194570 168334796 /nfs/dbraw/zinc/33/47/96/168334796.db2.gz YOPFGUNYXPWGOF-QWHCGFSZSA-N 0 0 239.359 2.593 50 0 BFAARN Cc1cc(C2CCC2)nc(NC[C@H]2CCOC2)n1 ZINC000071762170 398159112 /nfs/dbraw/zinc/15/91/12/398159112.db2.gz VNOMDPNAKNHNNM-LLVKDONJSA-N 0 0 247.342 2.501 50 0 BFAARN Cc1c2c(nn1CC(F)F)nc(Cl)cc2C ZINC000012398104 178073331 /nfs/dbraw/zinc/07/33/31/178073331.db2.gz FGBLEDWKBBBMFP-UHFFFAOYSA-N 0 0 245.660 2.967 50 0 BFAARN Cc1cc(Cl)nc2nn(C(C)C)cc21 ZINC000012398314 178073509 /nfs/dbraw/zinc/07/35/09/178073509.db2.gz FFXGOUJZVYSDBX-UHFFFAOYSA-N 0 0 209.680 2.974 50 0 BFAARN FC(F)c1nnc(N[C@H]2CC=CCC2)o1 ZINC000292555463 398173430 /nfs/dbraw/zinc/17/34/30/398173430.db2.gz RWHDWDIYVGBEPX-LURJTMIESA-N 0 0 215.203 2.528 50 0 BFAARN Cc1ccc(C(=O)Nc2nnc(C3CC3)s2)o1 ZINC000012593823 136216509 /nfs/dbraw/zinc/21/65/09/136216509.db2.gz MKAUKCOGXPDYGX-UHFFFAOYSA-N 0 0 249.295 2.569 50 0 BFAARN Cc1cc(CO)c(F)c(C(F)(F)F)c1 ZINC000098210794 178046260 /nfs/dbraw/zinc/04/62/60/178046260.db2.gz WCTOPRCFFCKRJY-UHFFFAOYSA-N 0 0 208.154 2.645 50 0 BFAARN CC(C)(C)C(=O)NCCCc1ccc(F)cc1 ZINC000072117577 398177681 /nfs/dbraw/zinc/17/76/81/398177681.db2.gz WUYXWQYOKMKRTO-UHFFFAOYSA-N 0 0 237.318 2.921 50 0 BFAARN Cn1cc(-c2ncc[nH]2)c(-c2ccccc2F)n1 ZINC000072158129 398179006 /nfs/dbraw/zinc/17/90/06/398179006.db2.gz QMSODPCMLOPIRD-UHFFFAOYSA-N 0 0 242.257 2.616 50 0 BFAARN Fc1cc2nc(-c3cnccn3)[nH]c2cc1Cl ZINC000071790011 398161368 /nfs/dbraw/zinc/16/13/68/398161368.db2.gz YLQWYCULENGEOY-UHFFFAOYSA-N 0 0 248.648 2.812 50 0 BFAARN Cc1ccc(Br)c2n[nH]cc21 ZINC000071789967 398161772 /nfs/dbraw/zinc/16/17/72/398161772.db2.gz QOYOLKAXXZIJRY-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1cc(Cl)c2cc3c(cc2n1)OCO3 ZINC000001575238 178062462 /nfs/dbraw/zinc/06/24/62/178062462.db2.gz FMBGYAMLOKMHFK-UHFFFAOYSA-N 0 0 221.643 2.925 50 0 BFAARN Cc1cc(Cl)ccc1NS(=O)(=O)C1CC1 ZINC000071793201 178068897 /nfs/dbraw/zinc/06/88/97/178068897.db2.gz DTXBRPHYQOEQFP-UHFFFAOYSA-N 0 0 245.731 2.553 50 0 BFAARN Cc1cc(F)ccc1NC(=O)[C@H](C)n1cccn1 ZINC000012849863 178089692 /nfs/dbraw/zinc/08/96/92/178089692.db2.gz XQAXGEWRNJTHAD-JTQLQIEISA-N 0 0 247.273 2.530 50 0 BFAARN Cc1cc(F)ccc1NC(=O)c1ccc[nH]1 ZINC000170103358 178090159 /nfs/dbraw/zinc/09/01/59/178090159.db2.gz DTSQATZZLSBISP-UHFFFAOYSA-N 0 0 218.231 2.715 50 0 BFAARN Cc1onc(C(=O)Nc2ccc(F)cc2C)c1C ZINC000013641144 178090193 /nfs/dbraw/zinc/09/01/93/178090193.db2.gz SKDNISIXWFRUBQ-UHFFFAOYSA-N 0 0 248.257 2.991 50 0 BFAARN CC(C)[C@H](C)Nc1ccn(CC(F)F)n1 ZINC000095991518 187326400 /nfs/dbraw/zinc/32/64/00/187326400.db2.gz XSDVQIIJNRYCOO-QMMMGPOBSA-N 0 0 217.263 2.605 50 0 BFAARN Cc1cc(N)nc(COc2cccc(Cl)c2)n1 ZINC000000494944 178110284 /nfs/dbraw/zinc/11/02/84/178110284.db2.gz LVRXZLORZDYDGT-UHFFFAOYSA-N 0 0 249.701 2.600 50 0 BFAARN Cc1cc(N)nn1Cc1ccc(F)cc1Cl ZINC000001304698 178111316 /nfs/dbraw/zinc/11/13/16/178111316.db2.gz VSFQVZGEJCOWQP-UHFFFAOYSA-N 0 0 239.681 2.615 50 0 BFAARN CC(C)[C@H](SCc1ccco1)C(=O)N(C)C ZINC000096416311 187326581 /nfs/dbraw/zinc/32/65/81/187326581.db2.gz UVKDURLFPXKSPW-NSHDSACASA-N 0 0 241.356 2.626 50 0 BFAARN Cc1cc(NC(=O)/C=C/c2ccccc2)no1 ZINC000000433987 178123359 /nfs/dbraw/zinc/12/33/59/178123359.db2.gz HKHMRZZOMKKLQF-BQYQJAHWSA-N 0 0 228.251 2.635 50 0 BFAARN Cc1cc(NC(=O)/C=C/c2ccco2)ccn1 ZINC000075290327 178123679 /nfs/dbraw/zinc/12/36/79/178123679.db2.gz JKLMVVBUGYLAPO-SNAWJCMRSA-N 0 0 228.251 2.635 50 0 BFAARN Cc1cc(NC(=O)CCc2cccs2)no1 ZINC000036140647 178128213 /nfs/dbraw/zinc/12/82/13/178128213.db2.gz VTZJWPBCJWFLIK-UHFFFAOYSA-N 0 0 236.296 2.616 50 0 BFAARN CCC(CC)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000004670526 168341225 /nfs/dbraw/zinc/34/12/25/168341225.db2.gz PPBXHJLILLHPQV-UHFFFAOYSA-N 0 0 249.310 2.833 50 0 BFAARN Cc1cc(NC(=O)Cc2ccccc2C)sn1 ZINC000098016403 178133956 /nfs/dbraw/zinc/13/39/56/178133956.db2.gz WWUSFLRBKWYFOA-UHFFFAOYSA-N 0 0 246.335 2.941 50 0 BFAARN FC(F)(F)c1cnc(-c2nc[nH]n2)c(Cl)c1 ZINC000261494731 398208387 /nfs/dbraw/zinc/20/83/87/398208387.db2.gz BEJYKZSSBXOSRB-UHFFFAOYSA-N 0 0 248.595 2.539 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)Nc2cc(C)on2)o1 ZINC000044889866 178142161 /nfs/dbraw/zinc/14/21/61/178142161.db2.gz LPPUBEMVYSAJPZ-SECBINFHSA-N 0 0 249.270 2.767 50 0 BFAARN Cc1cc(NC(=O)Nc2ccc(F)cc2)no1 ZINC000000137567 178142716 /nfs/dbraw/zinc/14/27/16/178142716.db2.gz WAKQZUJXHQHOEF-UHFFFAOYSA-N 0 0 235.218 2.766 50 0 BFAARN Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)no1 ZINC000002751741 178145908 /nfs/dbraw/zinc/14/59/08/178145908.db2.gz PSRQPFSQPUKINL-VXGBXAGGSA-N 0 0 242.278 2.725 50 0 BFAARN CCC/C=C/c1ccccc1O[C@@H](C)C(N)=O ZINC000426716839 398218664 /nfs/dbraw/zinc/21/86/64/398218664.db2.gz HZFGGNUZTQDJGB-BWNDKRECSA-N 0 0 233.311 2.753 50 0 BFAARN Cc1cc(NC(=O)c2csc(C)c2)no1 ZINC000016579958 178151145 /nfs/dbraw/zinc/15/11/45/178151145.db2.gz NWSAZVOMCZHDJJ-UHFFFAOYSA-N 0 0 222.269 2.605 50 0 BFAARN COC(=O)c1cc(F)cc(-c2ccc(N)cc2)c1 ZINC000074938306 398210211 /nfs/dbraw/zinc/21/02/11/398210211.db2.gz UHULQFJYWSPSQN-UHFFFAOYSA-N 0 0 245.253 2.862 50 0 BFAARN Cc1cc(NC2CCCCC2)nc2[nH]nc(N)c21 ZINC000071283294 178154645 /nfs/dbraw/zinc/15/46/45/178154645.db2.gz HWKWRZJGNWOXGT-UHFFFAOYSA-N 0 0 245.330 2.593 50 0 BFAARN Cc1cc2ncnn2c(NCc2ccccc2)c1 ZINC000035047898 178173857 /nfs/dbraw/zinc/17/38/57/178173857.db2.gz SJOSHMUMHSVQRG-UHFFFAOYSA-N 0 0 238.294 2.650 50 0 BFAARN Cc1ccc(N2CCc3sccc3[C@H]2C)nn1 ZINC000605432936 343986608 /nfs/dbraw/zinc/98/66/08/343986608.db2.gz NYNWUAQTTMFHQQ-SNVBAGLBSA-N 0 0 245.351 2.970 50 0 BFAARN Cc1cc(Nc2ccc(F)cc2)ncn1 ZINC000011902760 178191847 /nfs/dbraw/zinc/19/18/47/178191847.db2.gz YMSKHLOMQBOWEK-UHFFFAOYSA-N 0 0 203.220 2.668 50 0 BFAARN Cc1cc(Nc2ccccc2)[nH]c(=S)n1 ZINC000006545985 178193370 /nfs/dbraw/zinc/19/33/70/178193370.db2.gz VCXBAGJCRVZDMH-UHFFFAOYSA-N 0 0 217.297 2.817 50 0 BFAARN Cc1nc(C(=O)OC2CCCC2)cs1 ZINC000065654665 361741800 /nfs/dbraw/zinc/74/18/00/361741800.db2.gz FLONECMACZPDHT-UHFFFAOYSA-N 0 0 211.286 2.551 50 0 BFAARN Cc1cc(O)c(F)cc1Br ZINC000090548819 178196506 /nfs/dbraw/zinc/19/65/06/178196506.db2.gz QDGUFFYQTIQGAJ-UHFFFAOYSA-N 0 0 205.026 2.602 50 0 BFAARN Cc1cc(O)ccc1NC(=O)c1ccc(N)cc1 ZINC000011737167 178200475 /nfs/dbraw/zinc/20/04/75/178200475.db2.gz DQBFIJBTHAFDKU-UHFFFAOYSA-N 0 0 242.278 2.535 50 0 BFAARN Cc1cc(O)cnc1OCc1ccccc1 ZINC000261493725 178201011 /nfs/dbraw/zinc/20/10/11/178201011.db2.gz IAYIIEZESAGNKL-UHFFFAOYSA-N 0 0 215.252 2.675 50 0 BFAARN Cc1cc(OC[C@@H]2CCCCO2)ccc1N ZINC000014630795 178212083 /nfs/dbraw/zinc/21/20/83/178212083.db2.gz XESSDOSKPBDTPW-LBPRGKRZSA-N 0 0 221.300 2.525 50 0 BFAARN O=c1[nH]c2c(cc(Cl)cc2Br)o1 ZINC000000033104 398232459 /nfs/dbraw/zinc/23/24/59/398232459.db2.gz JCRSLBLJBHXTND-UHFFFAOYSA-N 0 0 248.463 2.537 50 0 BFAARN CCCC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000170593476 361765813 /nfs/dbraw/zinc/76/58/13/361765813.db2.gz FJTGSCKHWQDAGT-UHFFFAOYSA-N 0 0 232.205 2.839 50 0 BFAARN CC(C)[C@@H](C)NC(=O)c1cnoc1-c1ccoc1 ZINC000170607848 361798501 /nfs/dbraw/zinc/79/85/01/361798501.db2.gz QGDIORREXMZASH-SECBINFHSA-N 0 0 248.282 2.709 50 0 BFAARN O=C(CC[C@@H]1CCCO1)NC1CCCCCC1 ZINC000046121942 398235654 /nfs/dbraw/zinc/23/56/54/398235654.db2.gz MRGGHSVKHJJAJX-ZDUSSCGKSA-N 0 0 239.359 2.785 50 0 BFAARN Cc1cc([C@@H]2CCCN2C(=O)c2ccco2)on1 ZINC000021718601 178240424 /nfs/dbraw/zinc/24/04/24/178240424.db2.gz VNUGVGHHLYJDSB-JTQLQIEISA-N 0 0 246.266 2.553 50 0 BFAARN Cc1cc([C@@H]2CCN(C(=O)C(F)F)C2)cs1 ZINC000328587335 178241419 /nfs/dbraw/zinc/24/14/19/178241419.db2.gz DRTUZFCCNOPZEF-MRVPVSSYSA-N 0 0 245.294 2.638 50 0 BFAARN CCC(CC)CNC(=O)c1ccc2c(c1)CCO2 ZINC000071847799 168358503 /nfs/dbraw/zinc/35/85/03/168358503.db2.gz MLBHOIBNXNQKEW-UHFFFAOYSA-N 0 0 247.338 2.788 50 0 BFAARN CC(C)CCOc1cccc2c1ncn2C ZINC000170609011 361802113 /nfs/dbraw/zinc/80/21/13/361802113.db2.gz NTHVISGQKPKZPA-UHFFFAOYSA-N 0 0 218.300 2.998 50 0 BFAARN Cc1occc1C(=O)OCCC[C@H]1CCCO1 ZINC000097113172 398237188 /nfs/dbraw/zinc/23/71/88/398237188.db2.gz YMDAVHRGDVDCPA-LLVKDONJSA-N 0 0 238.283 2.704 50 0 BFAARN Cc1cc2c(cc1F)ncn(C1CCCC1)c2=O ZINC000095939580 178277004 /nfs/dbraw/zinc/27/70/04/178277004.db2.gz MBEJUTBVWDMPTJ-UHFFFAOYSA-N 0 0 246.285 2.959 50 0 BFAARN Cc1cc2c(nccc2Br)[nH]1 ZINC000071186823 178277893 /nfs/dbraw/zinc/27/78/93/178277893.db2.gz UYYAREKUCOWVMO-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1cc(=O)oc2c1cc(C)c1c2CCCN1 ZINC000000227510 178278822 /nfs/dbraw/zinc/27/88/22/178278822.db2.gz HNBLXGUKCHVXSO-UHFFFAOYSA-N 0 0 229.279 2.768 50 0 aggregator BFAARN C[C@@H](NC(=O)c1cccn1C)c1ccc(F)cc1 ZINC000022968144 538941146 /nfs/dbraw/zinc/94/11/46/538941146.db2.gz YBSXRSHNNBVWSA-SNVBAGLBSA-N 0 0 246.285 2.655 50 0 BFAARN Cc1cc2cc(Br)ccc2nc1N ZINC000012957093 178294965 /nfs/dbraw/zinc/29/49/65/178294965.db2.gz DUFGQFDKOSMTAO-UHFFFAOYSA-N 0 0 237.100 2.888 50 0 BFAARN Cc1ccc(-c2cn3c(n2)SCC3)cc1 ZINC000000245464 178327570 /nfs/dbraw/zinc/32/75/70/178327570.db2.gz GKXNHSYDHUBQMW-UHFFFAOYSA-N 0 0 216.309 2.964 50 0 BFAARN Cc1ccc(-c2cn3ncsc3n2)cc1 ZINC000000143998 178327632 /nfs/dbraw/zinc/32/76/32/178327632.db2.gz KLVOYOMLAVRBSH-UHFFFAOYSA-N 0 0 215.281 2.766 50 0 BFAARN Cc1cc2sc(N)nc2cc1-c1cncnc1 ZINC000096180037 178309269 /nfs/dbraw/zinc/30/92/69/178309269.db2.gz MMFRPSBPDMCGHI-UHFFFAOYSA-N 0 0 242.307 2.644 50 0 BFAARN Cc1ccc(-c2cc(C(=O)NC(C)C)no2)cc1 ZINC000000815095 178318579 /nfs/dbraw/zinc/31/85/79/178318579.db2.gz BNFKCDXMMAZDDU-UHFFFAOYSA-N 0 0 244.294 2.788 50 0 BFAARN Cc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC000000207889 178336721 /nfs/dbraw/zinc/33/67/21/178336721.db2.gz SCFVRBDHVFEHCW-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN Cc1ccc(-c2nc3nc(C)cc(C)n3n2)cc1 ZINC000000529169 178339062 /nfs/dbraw/zinc/33/90/62/178339062.db2.gz DDMCBXQCCISRAM-UHFFFAOYSA-N 0 0 238.294 2.717 50 0 BFAARN Cc1ccc(-c2nnc3nc(C)cc(C)n32)cc1 ZINC000001028107 178342564 /nfs/dbraw/zinc/34/25/64/178342564.db2.gz XNUPAZHYBAMLRQ-UHFFFAOYSA-N 0 0 238.294 2.717 50 0 BFAARN Cc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000013921182 178342688 /nfs/dbraw/zinc/34/26/88/178342688.db2.gz PQEMFVCLWJGZLT-UHFFFAOYSA-N 0 0 200.241 2.922 50 0 BFAARN Cc1nn(-c2ccc(C)cc2C)c(C)c1C=O ZINC000026509833 178348227 /nfs/dbraw/zinc/34/82/27/178348227.db2.gz DIPLHWFWQJMQFR-UHFFFAOYSA-N 0 0 228.295 2.918 50 0 BFAARN Cc1ccc(-c2csc(CO)n2)cc1 ZINC000000076787 178329827 /nfs/dbraw/zinc/32/98/27/178329827.db2.gz LCPBYVWZYHAONB-UHFFFAOYSA-N 0 0 205.282 2.611 50 0 BFAARN C=Cc1cccc(OC(=O)N(C)CC)c1 ZINC000077292384 398255792 /nfs/dbraw/zinc/25/57/92/398255792.db2.gz NARZULAZYYDYNA-UHFFFAOYSA-N 0 0 205.257 2.780 50 0 in-vitro BFAARN Cc1ccc(/N=c2\sccn2C)c(C)c1 ZINC000000001237 178361226 /nfs/dbraw/zinc/36/12/26/178361226.db2.gz YUAUPYJCVKNAEC-SEYXRHQNSA-N 0 0 218.325 2.936 50 0 BFAARN Cc1ccc(/C=C/C(=O)NC(C)(C)C)o1 ZINC000000512544 178353395 /nfs/dbraw/zinc/35/33/95/178353395.db2.gz RZFOYJYEZBTLDY-BQYQJAHWSA-N 0 0 207.273 2.516 50 0 BFAARN Cc1ccc(C(=O)N(C)[C@@H](C)C2CC2)s1 ZINC000032907029 178379602 /nfs/dbraw/zinc/37/96/02/178379602.db2.gz PWPXOHKFSBNJNB-VIFPVBQESA-N 0 0 223.341 2.927 50 0 BFAARN C[C@@H](C(=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000033487596 538952134 /nfs/dbraw/zinc/95/21/34/538952134.db2.gz COVLHGVAWGONRH-GFCCVEGCSA-N 0 0 247.338 2.619 50 0 BFAARN Cc1ccc(C(=O)COC(=O)C2CCC2)cc1 ZINC000003295829 178373141 /nfs/dbraw/zinc/37/31/41/178373141.db2.gz DRAQNTIRXVPZHD-UHFFFAOYSA-N 0 0 232.279 2.521 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000034863199 538954756 /nfs/dbraw/zinc/95/47/56/538954756.db2.gz BGWHGSUFDVQZRR-NDBYEHHHSA-N 0 0 221.344 2.824 50 0 BFAARN CCC(CC)NC(=O)/C=C/c1csc(C)n1 ZINC000032895591 168376450 /nfs/dbraw/zinc/37/64/50/168376450.db2.gz CZFYQCISENOLBQ-VOTSOKGWSA-N 0 0 238.356 2.770 50 0 BFAARN Cc1ccc(C(=O)NCCc2cccc(F)c2)o1 ZINC000040464846 178409559 /nfs/dbraw/zinc/40/95/59/178409559.db2.gz YEXNFPXPJSGWPP-UHFFFAOYSA-N 0 0 247.269 2.700 50 0 BFAARN CCC(CC)NC(=O)COc1ccccc1F ZINC000049535056 168377024 /nfs/dbraw/zinc/37/70/24/168377024.db2.gz PJQPAAIXZWMWBZ-UHFFFAOYSA-N 0 0 239.290 2.509 50 0 BFAARN Clc1c[nH]c2cc(Br)cnc12 ZINC000044712915 346848637 /nfs/dbraw/zinc/84/86/37/346848637.db2.gz IRTRCWPUIFWGSN-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN c1coc(CNc2ncnc3ccccc32)c1 ZINC000000076898 342672934 /nfs/dbraw/zinc/67/29/34/342672934.db2.gz DUNCYLVJORGPHP-UHFFFAOYSA-N 0 0 225.251 2.835 50 0 BFAARN NN=c1nc[nH]c2sc(-c3ccccc3)cc21 ZINC000000097782 342674530 /nfs/dbraw/zinc/67/45/30/342674530.db2.gz UAOUEAFHRAFLKS-UHFFFAOYSA-N 0 0 242.307 2.644 50 0 BFAARN O=c1oc2ccccc2n1Cc1ccccc1 ZINC000000121860 342675421 /nfs/dbraw/zinc/67/54/21/342675421.db2.gz YLCGDHFJQQKIBG-UHFFFAOYSA-N 0 0 225.247 2.643 50 0 biogenic BFAARN CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000000126245 342675936 /nfs/dbraw/zinc/67/59/36/342675936.db2.gz WEASGADRJWKQRE-UHFFFAOYSA-N 0 0 225.291 2.912 50 0 BFAARN CC[C@](O)(c1ccccc1)c1ccccc1N ZINC000000137323 342676636 /nfs/dbraw/zinc/67/66/36/342676636.db2.gz GVJJQNPMSTWQJJ-HNNXBMFYSA-N 0 0 227.307 2.915 50 0 BFAARN Cc1cc(-c2csc(N)n2)ccc1F ZINC000000153513 342677450 /nfs/dbraw/zinc/67/74/50/342677450.db2.gz XJPFIMKKTVFXIN-UHFFFAOYSA-N 0 0 208.261 2.840 50 0 BFAARN Cc1cc(I)c(C)cc1O ZINC000000162657 342678502 /nfs/dbraw/zinc/67/85/02/342678502.db2.gz RFAXNKKOQUYDKE-UHFFFAOYSA-N 0 0 248.063 2.614 50 0 BFAARN Cc1ccc2c(c1)C(=O)CCCCC(=O)N2 ZINC000000170658 342679138 /nfs/dbraw/zinc/67/91/38/342679138.db2.gz OBAWWFIJMQZUMJ-UHFFFAOYSA-N 0 0 217.268 2.690 50 0 BFAARN c1coc(CNc2nc3ccccc3[nH]2)c1 ZINC000000513005 342689117 /nfs/dbraw/zinc/68/91/17/342689117.db2.gz VVXTVMPZTWGDLF-UHFFFAOYSA-N 0 0 213.240 2.768 50 0 BFAARN Cc1ccc(Cn2c3ccccc3oc2=O)cc1 ZINC000000203178 342679938 /nfs/dbraw/zinc/67/99/38/342679938.db2.gz RWEIHCNUVWZMOR-UHFFFAOYSA-N 0 0 239.274 2.951 50 0 BFAARN CC[C@@H](C)NC(=O)c1ccc(C)cc1C ZINC000000514665 342689142 /nfs/dbraw/zinc/68/91/42/342689142.db2.gz UPGJGWBPGRIIKD-LLVKDONJSA-N 0 0 205.301 2.832 50 0 BFAARN O=C(c1ccccc1)c1ccc2c(c1)OCO2 ZINC000000500912 342689149 /nfs/dbraw/zinc/68/91/49/342689149.db2.gz PXAFOQOPSOGIFE-UHFFFAOYSA-N 0 0 226.231 2.646 50 0 BFAARN Cc1cc2[nH]c(-c3ccc(N)cc3)nc2cc1N ZINC000000235516 342680926 /nfs/dbraw/zinc/68/09/26/342680926.db2.gz DEDPGHOISADEIE-UHFFFAOYSA-N 0 0 238.294 2.703 50 0 BFAARN O=C(CCC1CCCC1)Nc1ccccn1 ZINC000000253693 342681435 /nfs/dbraw/zinc/68/14/35/342681435.db2.gz GMWRHMIQOLPTGZ-UHFFFAOYSA-N 0 0 218.300 2.991 50 0 BFAARN Nc1ccc(F)cc1C(=O)c1ccccc1 ZINC000000269415 342681750 /nfs/dbraw/zinc/68/17/50/342681750.db2.gz OTBMFWQZXXWHOO-UHFFFAOYSA-N 0 0 215.227 2.639 50 0 BFAARN C[C@@H](CC(=O)Nc1ncccn1)c1ccccc1 ZINC000000268354 342681956 /nfs/dbraw/zinc/68/19/56/342681956.db2.gz DFOGTKUCJBQVCR-NSHDSACASA-N 0 0 241.294 2.609 50 0 BFAARN Cc1csc(NC(=O)c2cccs2)n1 ZINC000000283717 342682118 /nfs/dbraw/zinc/68/21/18/342682118.db2.gz MGGXMIGZPZPTLX-UHFFFAOYSA-N 0 0 224.310 2.765 50 0 BFAARN Clc1cc2nsnc2c(Cl)c1 ZINC000000291634 342682272 /nfs/dbraw/zinc/68/22/72/342682272.db2.gz YAXMGGZDBSECMK-UHFFFAOYSA-N 0 0 205.069 2.998 50 0 BFAARN O=C(c1ccc(Cl)cc1)N1CCCC1 ZINC000000335584 342683802 /nfs/dbraw/zinc/68/38/02/342683802.db2.gz DDDOTKBSNHPPNT-UHFFFAOYSA-N 0 0 209.676 2.576 50 0 BFAARN O=C(c1ccccc1F)N1CCCCCC1 ZINC000000340575 342684037 /nfs/dbraw/zinc/68/40/37/342684037.db2.gz ADWADSQFPPWJEM-UHFFFAOYSA-N 0 0 221.275 2.842 50 0 BFAARN Cc1cc(-c2ccc(Cl)cc2)n2ncnc2n1 ZINC000000342320 342684093 /nfs/dbraw/zinc/68/40/93/342684093.db2.gz CWGIKQLFNNSIEU-UHFFFAOYSA-N 0 0 244.685 2.753 50 0 BFAARN Clc1nc(Cl)nc(Nc2ccccc2)n1 ZINC000000347810 342684366 /nfs/dbraw/zinc/68/43/66/342684366.db2.gz SACFASUHQGNXOD-UHFFFAOYSA-N 0 0 241.081 2.922 50 0 BFAARN Cc1onc(-c2ccccc2)c1C(=O)NC(C)C ZINC000000350748 342684652 /nfs/dbraw/zinc/68/46/52/342684652.db2.gz UAQYVUIYQCEOOI-UHFFFAOYSA-N 0 0 244.294 2.788 50 0 BFAARN Cn1c2ccccc2nc1NCc1ccccn1 ZINC000000350249 342684661 /nfs/dbraw/zinc/68/46/61/342684661.db2.gz ASLWKAGVMWDGJA-UHFFFAOYSA-N 0 0 238.294 2.580 50 0 BFAARN CCOc1ccccc1CNCc1ccccn1 ZINC000000360550 342684993 /nfs/dbraw/zinc/68/49/93/342684993.db2.gz HHBDNQVJYQCKDB-UHFFFAOYSA-N 0 0 242.322 2.770 50 0 BFAARN Cc1ccc(CNC(=O)C2CCCC2)cc1 ZINC000000375752 342685384 /nfs/dbraw/zinc/68/53/84/342685384.db2.gz ABOHAZFZTUGION-UHFFFAOYSA-N 0 0 217.312 2.801 50 0 BFAARN CC[C@@H](C)NC(=O)c1cc(Cl)ccc1OC ZINC000000382612 342685622 /nfs/dbraw/zinc/68/56/22/342685622.db2.gz JUNFLUSDGGHRMM-MRVPVSSYSA-N 0 0 241.718 2.877 50 0 BFAARN CCCc1cc(C(N)=O)c2cc(C)ccc2n1 ZINC000000392587 342686005 /nfs/dbraw/zinc/68/60/05/342686005.db2.gz IRLSSBLECQSDRI-UHFFFAOYSA-N 0 0 228.295 2.595 50 0 BFAARN CC(C)c1ncc([C@@H](O)c2ccccc2)n1C ZINC000000525749 342689389 /nfs/dbraw/zinc/68/93/89/342689389.db2.gz PBOSUJQHYYRGHM-ZDUSSCGKSA-N 0 0 230.311 2.625 50 0 BFAARN Cc1ccc(NC(=O)NCC(C)C)cc1 ZINC000000396889 342686207 /nfs/dbraw/zinc/68/62/07/342686207.db2.gz KSPPBCMKVKJHSO-UHFFFAOYSA-N 0 0 206.289 2.773 50 0 BFAARN CCOc1cccc(Br)c1 ZINC000000396172 342686208 /nfs/dbraw/zinc/68/62/08/342686208.db2.gz LQBMPJSTUHWGDE-UHFFFAOYSA-N 0 0 201.063 2.848 50 0 BFAARN COc1cccc(C(=O)N(C)C(C)(C)C)c1 ZINC000000400557 342686552 /nfs/dbraw/zinc/68/65/52/342686552.db2.gz IEGKDNJDMYCKKK-UHFFFAOYSA-N 0 0 221.300 2.566 50 0 BFAARN Clc1ccccc1-n1nnnc1-c1ccco1 ZINC000000406347 342687086 /nfs/dbraw/zinc/68/70/86/342687086.db2.gz JYMLUEPQLWIYOF-UHFFFAOYSA-N 0 0 246.657 2.576 50 0 BFAARN CCOc1ccccc1C(=O)N1CCCCC1 ZINC000000449822 342687710 /nfs/dbraw/zinc/68/77/10/342687710.db2.gz BLJYLGMJIBKWPF-UHFFFAOYSA-N 0 0 233.311 2.711 50 0 BFAARN CCc1cc(=O)oc2c(C)c(OC(C)=O)ccc12 ZINC000000451586 342687820 /nfs/dbraw/zinc/68/78/20/342687820.db2.gz XONCQUZGZBPFQB-UHFFFAOYSA-N 0 0 246.262 2.589 50 0 BFAARN CC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000449437 342687822 /nfs/dbraw/zinc/68/78/22/342687822.db2.gz BPAFBORSRKBCPI-UHFFFAOYSA-N 0 0 246.093 2.911 50 0 BFAARN CCN(CC)C(=O)c1cc(Cl)ccc1OC ZINC000000450206 342687861 /nfs/dbraw/zinc/68/78/61/342687861.db2.gz DSTYMFIKZQVOKD-UHFFFAOYSA-N 0 0 241.718 2.831 50 0 BFAARN CCOc1ccc2ccccc2c1CO ZINC000000473728 342688221 /nfs/dbraw/zinc/68/82/21/342688221.db2.gz USEQXNGDJGPZOP-UHFFFAOYSA-N 0 0 202.253 2.731 50 0 BFAARN CCN(CC)C(=O)c1ccc(Br)o1 ZINC000000524791 342689591 /nfs/dbraw/zinc/68/95/91/342689591.db2.gz RHIMTYOEEOGBLQ-UHFFFAOYSA-N 0 0 246.104 2.524 50 0 BFAARN Nc1ccccc1Nc1nc2ccccc2[nH]1 ZINC000000033917 342670447 /nfs/dbraw/zinc/67/04/47/342670447.db2.gz ZZDGNBWCSPZNRU-UHFFFAOYSA-N 0 0 224.267 2.889 50 0 BFAARN O=C(Oc1ccccc1)c1ccccc1O ZINC000000038545 342670622 /nfs/dbraw/zinc/67/06/22/342670622.db2.gz ZQBAKBUEJOMQEX-UHFFFAOYSA-N 0 0 214.220 2.611 50 0 endogenous,world BFAARN CC[C@@H](Oc1ccccc1)C(=O)NC1CCCC1 ZINC000000035405 342670661 /nfs/dbraw/zinc/67/06/61/342670661.db2.gz MVCFXYGLRMSKCA-CQSZACIVSA-N 0 0 247.338 2.903 50 0 BFAARN CCN(CC)C(=O)c1cc(C)cc(C)c1 ZINC000000496649 342688866 /nfs/dbraw/zinc/68/88/66/342688866.db2.gz UROJKXMFIZCRIF-UHFFFAOYSA-N 0 0 205.301 2.785 50 0 BFAARN O=[N+]([O-])/C=C/c1ccc(Br)cc1 ZINC000000056883 342671944 /nfs/dbraw/zinc/67/19/44/342671944.db2.gz LSGVHLGCJIBLMB-AATRIKPKSA-N 0 0 228.045 2.697 50 0 BFAARN O=S1c2ccccc2Oc2ccccc21 ZINC000000059761 342672111 /nfs/dbraw/zinc/67/21/11/342672111.db2.gz ZESLIAUQVGLCIA-UHFFFAOYSA-N 0 0 216.261 2.959 50 0 BFAARN CC(C)c1ccc2occ(C=O)c(=O)c2c1 ZINC000000057745 342672178 /nfs/dbraw/zinc/67/21/78/342672178.db2.gz FRRYMYQANNFABF-UHFFFAOYSA-N 0 0 216.236 2.729 50 0 BFAARN Cc1cccc(C(=O)Nc2nccs2)c1 ZINC000000066634 342672399 /nfs/dbraw/zinc/67/23/99/342672399.db2.gz DSEARAKYUSKFIA-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN Cc1c(Cl)cccc1NC(=O)c1cnccn1 ZINC000000068240 342672420 /nfs/dbraw/zinc/67/24/20/342672420.db2.gz ZBCXVYNIPGPYMF-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000071436 342672693 /nfs/dbraw/zinc/67/26/93/342672693.db2.gz HNIPNANLYHXYDE-UHFFFAOYSA-N 0 0 203.163 2.664 50 0 BFAARN CC(C)CC(=O)Nc1ccc(N)cc1Cl ZINC000000569969 342690396 /nfs/dbraw/zinc/69/03/96/342690396.db2.gz RQTRTJSRJIDGAB-UHFFFAOYSA-N 0 0 226.707 2.907 50 0 BFAARN Cc1c(O)ccc2c3c(c(=O)oc12)CC[C@@H](C)C3 ZINC000000616394 342691006 /nfs/dbraw/zinc/69/10/06/342691006.db2.gz GOVCMCBRRHXKQX-MRVPVSSYSA-N 0 0 244.290 2.932 50 0 BFAARN CCOc1ccc(-n2cccc2C=O)cc1 ZINC000000609020 342691071 /nfs/dbraw/zinc/69/10/71/342691071.db2.gz DUMUNLDIUQZSDB-UHFFFAOYSA-N 0 0 215.252 2.689 50 0 BFAARN NNc1ccc(OCc2ccccc2)cc1 ZINC000001075939 342696794 /nfs/dbraw/zinc/69/67/94/342696794.db2.gz UFZKWTITXBRSPK-UHFFFAOYSA-N 0 0 214.268 2.551 50 0 BFAARN CC(C)(C)c1nnc2sc(-c3ccco3)nn21 ZINC000002345055 342718872 /nfs/dbraw/zinc/71/88/72/342718872.db2.gz MJUSEKAZUDWNEI-UHFFFAOYSA-N 0 0 248.311 2.743 50 0 BFAARN CC[C@@H](C)NC(=O)c1ccc(Br)o1 ZINC000001284933 342698857 /nfs/dbraw/zinc/69/88/57/342698857.db2.gz RIOMRMODIBYHOI-ZCFIWIBFSA-N 0 0 246.104 2.570 50 0 BFAARN CC(=O)[C@@H](C)Oc1ccccc1-n1cccc1 ZINC000001397898 342699697 /nfs/dbraw/zinc/69/96/97/342699697.db2.gz AMXKWFOFMGEWAA-GFCCVEGCSA-N 0 0 229.279 2.834 50 0 BFAARN Cn1c2ccccc2nc1-c1ccc(N)cc1 ZINC000001470684 342701544 /nfs/dbraw/zinc/70/15/44/342701544.db2.gz UDWGXVIDMXDJOV-UHFFFAOYSA-N 0 0 223.279 2.823 50 0 BFAARN Cc1ccc2nc3sc(=O)sc3nc2c1 ZINC000001590887 342704677 /nfs/dbraw/zinc/70/46/77/342704677.db2.gz FBQQHUGEACOBDN-UHFFFAOYSA-N 0 0 234.305 2.575 50 0 in-vitro BFAARN CC(C)C(=O)OCCCc1ccccc1 ZINC000001687400 342709127 /nfs/dbraw/zinc/70/91/27/342709127.db2.gz VBTAKMZSMFMLGT-UHFFFAOYSA-N 0 0 206.285 2.818 50 0 endogenous,in-man BFAARN CCCCCCOC(=O)c1cccnc1 ZINC000001698697 342709939 /nfs/dbraw/zinc/70/99/39/342709939.db2.gz RVYGVBZGSFLJKH-UHFFFAOYSA-N 0 0 207.273 2.819 50 0 BFAARN Clc1nccc(NCc2ccccc2)n1 ZINC000002024733 342714620 /nfs/dbraw/zinc/71/46/20/342714620.db2.gz QWRADTLPANSRDT-UHFFFAOYSA-N 0 0 219.675 2.742 50 0 BFAARN Clc1ccc(OC[C@@H]2CO2)c(Cl)c1 ZINC000002045249 342715330 /nfs/dbraw/zinc/71/53/30/342715330.db2.gz NTMMJCXPHYKNSP-ZETCQYMHSA-N 0 0 219.067 2.771 50 0 BFAARN CCCCCC(=O)Nc1ccccc1C(=O)OC ZINC000002057649 342715530 /nfs/dbraw/zinc/71/55/30/342715530.db2.gz JLMDQQGDTMDVIL-UHFFFAOYSA-N 0 0 249.310 2.992 50 0 BFAARN CCCCC(=O)Nc1cccc(C(=O)OCC)c1 ZINC000002057739 342715555 /nfs/dbraw/zinc/71/55/55/342715555.db2.gz GJIRIDJBESOOHT-UHFFFAOYSA-N 0 0 249.310 2.992 50 0 BFAARN CCC(CC)NC(=O)Nc1ccccc1 ZINC000067742751 168382057 /nfs/dbraw/zinc/38/20/57/168382057.db2.gz LFYODPPPSQMIJO-UHFFFAOYSA-N 0 0 206.289 2.997 50 0 BFAARN CCCCOc1ccc(-c2ncc(N)cn2)cc1 ZINC000002201308 342716966 /nfs/dbraw/zinc/71/69/66/342716966.db2.gz PJQIFQDOFGVNDV-UHFFFAOYSA-N 0 0 243.310 2.905 50 0 BFAARN CCC(=O)NC(=S)Nc1ccc(C)cc1C ZINC000004091602 342742000 /nfs/dbraw/zinc/74/20/00/342742000.db2.gz QGAWRUINIMVBDL-UHFFFAOYSA-N 0 0 236.340 2.526 50 0 BFAARN Nc1cc(Cl)cc(Br)c1 ZINC000004253970 342745689 /nfs/dbraw/zinc/74/56/89/342745689.db2.gz YYBRLVWWPRAQDX-UHFFFAOYSA-N 0 0 206.470 2.685 50 0 BFAARN CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000004382663 342747297 /nfs/dbraw/zinc/74/72/97/342747297.db2.gz CGNKAETXHIOOLB-UHFFFAOYSA-N 0 0 249.383 2.994 50 0 BFAARN Cc1cc(C)n(C/C=C/Cn2nc(C)cc2C)n1 ZINC000002481864 342721381 /nfs/dbraw/zinc/72/13/81/342721381.db2.gz POOAZUNAJAQOFD-AATRIKPKSA-N 0 0 244.342 2.570 50 0 BFAARN CC(C)c1cc(N)n(-c2ccccc2)n1 ZINC000002548136 342723782 /nfs/dbraw/zinc/72/37/82/342723782.db2.gz RZIRPJOVBWGTDI-UHFFFAOYSA-N 0 0 201.273 2.578 50 0 BFAARN COc1ccc(C(=O)Cc2ccccc2)c(O)c1 ZINC000002559139 342723934 /nfs/dbraw/zinc/72/39/34/342723934.db2.gz WYMYJTSWNPZKHM-UHFFFAOYSA-N 0 0 242.274 2.826 50 0 BFAARN CCc1c(Cl)cc(N)c(O)c1Cl ZINC000002562569 342724299 /nfs/dbraw/zinc/72/42/99/342724299.db2.gz QMRQXLFENCRBNZ-UHFFFAOYSA-N 0 0 206.072 2.844 50 0 BFAARN CC(C)N1C(=S)N=NC1c1cccs1 ZINC000002569169 342724863 /nfs/dbraw/zinc/72/48/63/342724863.db2.gz FECBPIBGHFCASY-UHFFFAOYSA-N 0 0 225.342 2.876 50 0 BFAARN CCCCCC[C@H](C(C)=O)C(=O)OCC ZINC000004582598 342749483 /nfs/dbraw/zinc/74/94/83/342749483.db2.gz BRGRZPQESQKATK-LLVKDONJSA-N 0 0 214.305 2.725 50 0 BFAARN COc1cc(C=O)cc(Cl)c1OC(F)F ZINC000002641181 342726134 /nfs/dbraw/zinc/72/61/34/342726134.db2.gz RVOXHQRAIULOAJ-UHFFFAOYSA-N 0 0 236.601 2.763 50 0 BFAARN CCc1cc(C(=O)Nc2cc(C)on2)cs1 ZINC000002730554 342726812 /nfs/dbraw/zinc/72/68/12/342726812.db2.gz IFYHTOULVCZSJR-UHFFFAOYSA-N 0 0 236.296 2.859 50 0 BFAARN CCC(CC)NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000032765640 168384279 /nfs/dbraw/zinc/38/42/79/168384279.db2.gz CLIDUGWZNOAPCU-UHFFFAOYSA-N 0 0 247.298 2.588 50 0 BFAARN CC(=O)NCCSCc1ccc(Cl)cc1 ZINC000002985291 342729039 /nfs/dbraw/zinc/72/90/39/342729039.db2.gz MXULUAQPABVHFR-UHFFFAOYSA-N 0 0 243.759 2.709 50 0 BFAARN CCN(CC)c1ccc(C(=S)N(C)C)cc1 ZINC000003173122 342731364 /nfs/dbraw/zinc/73/13/64/342731364.db2.gz KSSLWGIGLZRETN-UHFFFAOYSA-N 0 0 236.384 2.770 50 0 BFAARN CCCCCNC(=O)c1ccc(OC)cc1 ZINC000004616904 342749763 /nfs/dbraw/zinc/74/97/63/342749763.db2.gz YHLVBYOVEHMCPI-UHFFFAOYSA-N 0 0 221.300 2.615 50 0 biogenic BFAARN CC(C)n1c2ccccc2c2nnc(=S)[nH]c21 ZINC000003346304 342732685 /nfs/dbraw/zinc/73/26/85/342732685.db2.gz LQMNINODHMLFGQ-UHFFFAOYSA-N 0 0 244.323 2.849 50 0 BFAARN Cc1cnc(NC(=O)C2CCCC2)s1 ZINC000003459041 342733853 /nfs/dbraw/zinc/73/38/53/342733853.db2.gz VJXYDYVVQABSFI-UHFFFAOYSA-N 0 0 210.302 2.580 50 0 BFAARN Cc1ccc(NC(=O)c2ccccn2)cc1F ZINC000003451574 342733859 /nfs/dbraw/zinc/73/38/59/342733859.db2.gz ORHSAALRAKPIIP-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN COC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 ZINC000003866234 342738333 /nfs/dbraw/zinc/73/83/33/342738333.db2.gz RPJSTUFWWRMVSY-UHFFFAOYSA-N 0 0 236.267 2.530 50 0 BFAARN Cc1ccc(NC2=NCCSC2)cc1 ZINC000003953792 342739970 /nfs/dbraw/zinc/73/99/70/342739970.db2.gz CSMRBCQRWRGIHI-UHFFFAOYSA-N 0 0 206.314 2.552 50 0 BFAARN Cc1cc(C=O)c(C)n1CCOc1ccccc1 ZINC000004938413 342754794 /nfs/dbraw/zinc/75/47/94/342754794.db2.gz LWLSRIBDEYWGJV-UHFFFAOYSA-N 0 0 243.306 2.996 50 0 BFAARN Clc1ccccc1CN1CCSCC1 ZINC000004977533 342755348 /nfs/dbraw/zinc/75/53/48/342755348.db2.gz ZCSOOSSGZBVQFR-UHFFFAOYSA-N 0 0 227.760 2.889 50 0 BFAARN COc1cc(CNCc2ccco2)cc(OC)c1 ZINC000005006464 342756504 /nfs/dbraw/zinc/75/65/04/342756504.db2.gz XTHUPAXHHZFBNB-UHFFFAOYSA-N 0 0 247.294 2.587 50 0 BFAARN Clc1ccc(-c2ccc3c(c2)OCCO3)nn1 ZINC000005016821 342756581 /nfs/dbraw/zinc/75/65/81/342756581.db2.gz IKNRSHFKJFDOKJ-UHFFFAOYSA-N 0 0 248.669 2.568 50 0 BFAARN CCN(Cc1ccccc1)C(=O)CC(F)(F)F ZINC000043069973 342760148 /nfs/dbraw/zinc/76/01/48/342760148.db2.gz YUQSHZGDFCPSFZ-UHFFFAOYSA-N 0 0 245.244 2.988 50 0 BFAARN CC(C)C(=O)NCc1ccc(Cl)cc1 ZINC000005384011 342763071 /nfs/dbraw/zinc/76/30/71/342763071.db2.gz ZPYYPQTXBVZBLX-UHFFFAOYSA-N 0 0 211.692 2.612 50 0 BFAARN Cc1ccc(C(=O)Nc2ccc(F)cc2)cn1 ZINC000032895350 178436011 /nfs/dbraw/zinc/43/60/11/178436011.db2.gz UJCATKQYYWSMJP-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN CC[C@@H](Oc1ccccc1)C(=O)N1CCCCC1 ZINC000005476735 342764619 /nfs/dbraw/zinc/76/46/19/342764619.db2.gz MDXTWTAXVWDLNV-CQSZACIVSA-N 0 0 247.338 2.857 50 0 BFAARN CC(C)(C)CC(=O)NCc1ccccc1 ZINC000005496108 342764835 /nfs/dbraw/zinc/76/48/35/342764835.db2.gz BPTQHPQTNLIGTA-UHFFFAOYSA-N 0 0 205.301 2.739 50 0 BFAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H]1C=CC(=O)O1 ZINC000005515852 342765233 /nfs/dbraw/zinc/76/52/33/342765233.db2.gz URWJVUPZIGIVFZ-HKUMRIAESA-N 0 0 238.327 2.903 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000005593246 342766721 /nfs/dbraw/zinc/76/67/21/342766721.db2.gz SSIOGBOBGCTNPI-SSDOTTSWSA-N 0 0 213.227 2.949 50 0 BFAARN CC(C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005726885 342769057 /nfs/dbraw/zinc/76/90/57/342769057.db2.gz SZDKRLQQAFPJPC-UHFFFAOYSA-N 0 0 221.344 2.727 50 0 BFAARN Cc1ccc(Nc2ccc[nH]c2=S)nc1 ZINC000005798939 342770115 /nfs/dbraw/zinc/77/01/15/342770115.db2.gz YSXYDGMGWSKWPS-UHFFFAOYSA-N 0 0 217.297 2.817 50 0 BFAARN CCOc1ccc2[nH]c3nc(=S)[nH]nc3c2c1 ZINC000006499745 342778511 /nfs/dbraw/zinc/77/85/11/342778511.db2.gz UQLHTRJVIHDXOM-UHFFFAOYSA-N 0 0 246.295 2.567 50 0 BFAARN CCCCN(CC)C(=O)Nc1ccc(F)cn1 ZINC000123016755 398283085 /nfs/dbraw/zinc/28/30/85/398283085.db2.gz XVLKHECRYIXOBM-UHFFFAOYSA-N 0 0 239.294 2.875 50 0 BFAARN Cc1noc(C)c1C(=O)Nc1cc(F)ccc1C ZINC000006389086 342777297 /nfs/dbraw/zinc/77/72/97/342777297.db2.gz AFMUPOZZZZZUHE-UHFFFAOYSA-N 0 0 248.257 2.991 50 0 BFAARN CC(C)CC(=O)N1CCc2ccccc2C1 ZINC000004725620 342751241 /nfs/dbraw/zinc/75/12/41/342751241.db2.gz VGWITQDBYCSWJP-UHFFFAOYSA-N 0 0 217.312 2.617 50 0 BFAARN Fc1ccc(-c2ccnc(Cl)n2)cc1 ZINC000004746962 342751446 /nfs/dbraw/zinc/75/14/46/342751446.db2.gz DGTAWQNEBOGYLH-UHFFFAOYSA-N 0 0 208.623 2.936 50 0 BFAARN CC(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000004740670 342751522 /nfs/dbraw/zinc/75/15/22/342751522.db2.gz IWAIZCLRODJNCE-UHFFFAOYSA-N 0 0 213.227 2.949 50 0 BFAARN CC(C)c1cc(C(=O)NCc2ccccc2)no1 ZINC000008592868 342800874 /nfs/dbraw/zinc/80/08/74/342800874.db2.gz WZKPERQTBBMSEO-UHFFFAOYSA-N 0 0 244.294 2.728 50 0 BFAARN CC(C)(C)N[S@](=O)c1ccc(Cl)s1 ZINC000008672886 342801701 /nfs/dbraw/zinc/80/17/01/342801701.db2.gz AUICVSYDOCAONT-ZDUSSCGKSA-N 0 0 237.777 2.812 50 0 BFAARN CC(C)CN(C(=O)/C=C/c1ccncc1)C1CC1 ZINC000071908114 342778994 /nfs/dbraw/zinc/77/89/94/342778994.db2.gz IJTNCNNLROHKJO-ZZXKWVIFSA-N 0 0 244.338 2.742 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(C)cc2)on1 ZINC000006738053 342781752 /nfs/dbraw/zinc/78/17/52/342781752.db2.gz OOKBVWYULPYEAN-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN CC(C)(C)OC(=O)Nc1cccc(C=O)c1 ZINC000006744103 342781972 /nfs/dbraw/zinc/78/19/72/342781972.db2.gz JEUBPGIHGQWLAJ-UHFFFAOYSA-N 0 0 221.256 2.846 50 0 BFAARN Cc1ccc(C(=O)Nc2cccc(N)c2)cc1 ZINC000007468108 178437579 /nfs/dbraw/zinc/43/75/79/178437579.db2.gz SEVIOCGFMOIHPH-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN CCOc1cc(C)c(Br)cn1 ZINC000006870208 342785243 /nfs/dbraw/zinc/78/52/43/342785243.db2.gz YHBHSFKVMVMPGU-UHFFFAOYSA-N 0 0 216.078 2.551 50 0 BFAARN CNC(=O)[C@@H](C)Sc1ccc(C)c(C)c1 ZINC000040464744 538971443 /nfs/dbraw/zinc/97/14/43/538971443.db2.gz ZCRGTTQGQVXPJJ-SNVBAGLBSA-N 0 0 223.341 2.530 50 0 BFAARN CCCC(=O)Nc1ccccc1OCC ZINC000000383502 342788218 /nfs/dbraw/zinc/78/82/18/342788218.db2.gz WDQZWPHVBSJGPV-UHFFFAOYSA-N 0 0 207.273 2.824 50 0 BFAARN O=C(c1cc2cc(Cl)ccc2o1)N1CCC1 ZINC000008328018 342798364 /nfs/dbraw/zinc/79/83/64/342798364.db2.gz HUSYFBHSYRDIND-UHFFFAOYSA-N 0 0 235.670 2.932 50 0 BFAARN Nc1nc(-c2ccccc2)c(-c2ncc[nH]2)s1 ZINC000008725238 342803406 /nfs/dbraw/zinc/80/34/06/342803406.db2.gz YOBHWHHXOSTSQI-UHFFFAOYSA-N 0 0 242.307 2.782 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(C)cc1O ZINC000032895948 342799718 /nfs/dbraw/zinc/79/97/18/342799718.db2.gz ZUAMBHVVGITIDJ-SECBINFHSA-N 0 0 207.273 2.685 50 0 BFAARN CCCc1nnc(NC(=O)c2ccccc2)s1 ZINC000009329758 342813059 /nfs/dbraw/zinc/81/30/59/342813059.db2.gz WTCLSLCSWOLOEI-UHFFFAOYSA-N 0 0 247.323 2.743 50 0 BFAARN CCc1ccc(C(=O)N2CCCC[C@@H]2C)o1 ZINC000044913728 538990622 /nfs/dbraw/zinc/99/06/22/538990622.db2.gz ANDJUJOACJLXSD-JTQLQIEISA-N 0 0 221.300 2.857 50 0 BFAARN Cc1ccnc(NC(=O)c2cc(Cl)c[nH]2)c1 ZINC000048264801 539007575 /nfs/dbraw/zinc/00/75/75/539007575.db2.gz JXCBWMPMMABUBI-UHFFFAOYSA-N 0 0 235.674 2.624 50 0 BFAARN FC(F)(F)c1nc(Cl)cc(Cl)n1 ZINC000011804120 342843434 /nfs/dbraw/zinc/84/34/34/342843434.db2.gz QFWVAJQVYBRTCL-UHFFFAOYSA-N 0 0 216.977 2.802 50 0 BFAARN C[C@@H]1Cc2ccccc2N(C(=O)NC2CC2)C1 ZINC000062093418 539015649 /nfs/dbraw/zinc/01/56/49/539015649.db2.gz MASIJMLBGZNBJP-SNVBAGLBSA-N 0 0 230.311 2.557 50 0 BFAARN N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000012360156 342850045 /nfs/dbraw/zinc/85/00/45/342850045.db2.gz TZQBOSKCYLEGAX-VIFPVBQESA-N 0 0 214.190 2.730 50 0 BFAARN C[C@H](NC(=O)CC(C)(C)C)c1ccncc1 ZINC000012383946 342850869 /nfs/dbraw/zinc/85/08/69/342850869.db2.gz ZKXVUAPVLUKWQU-JTQLQIEISA-N 0 0 220.316 2.695 50 0 BFAARN CN1C(=O)S/C(=C\C=C\c2ccco2)C1=O ZINC000012407050 342851597 /nfs/dbraw/zinc/85/15/97/342851597.db2.gz OHCDKDLZVIVZAL-RXXVAJQJSA-N 0 0 235.264 2.502 50 0 BFAARN Nc1nc(Cl)cc(Nc2ccccc2F)n1 ZINC000012421660 342852038 /nfs/dbraw/zinc/85/20/38/342852038.db2.gz BWIIQPLTAYAARA-UHFFFAOYSA-N 0 0 238.653 2.595 50 0 BFAARN Cc1ccc2c(n1)sc1c2[nH]c(=O)cc1[O-] ZINC000012462685 342852518 /nfs/dbraw/zinc/85/25/18/342852518.db2.gz NUEZBCKNVWZLJA-UHFFFAOYSA-N 0 0 232.264 2.564 50 0 BFAARN C[C@@H](Nc1ncnc2nc[nH]c21)c1cccs1 ZINC000032577784 342852572 /nfs/dbraw/zinc/85/25/72/342852572.db2.gz LLMQJUAJYXRRNT-SSDOTTSWSA-N 0 0 245.311 2.588 50 0 BFAARN COc1cccc(NC(=O)CCc2ccco2)c1 ZINC000012599395 342855126 /nfs/dbraw/zinc/85/51/26/342855126.db2.gz SIEGNTXDZGAKPD-UHFFFAOYSA-N 0 0 245.278 2.860 50 0 BFAARN CC(C)CC(=O)N[C@@H]1CCCc2occc21 ZINC000012922016 342861158 /nfs/dbraw/zinc/86/11/58/342861158.db2.gz ZFVMHUMCUWUUFY-LLVKDONJSA-N 0 0 221.300 2.819 50 0 BFAARN O=C(c1ccncc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000032819480 342879111 /nfs/dbraw/zinc/87/91/11/342879111.db2.gz ZPNWDGQIKSHZCH-TZMCWYRMSA-N 0 0 244.338 2.876 50 0 BFAARN Cc1ccc2[nH]c3c(c2c1)CCc1c[nH]nc1-3 ZINC000013129922 342864105 /nfs/dbraw/zinc/86/41/05/342864105.db2.gz BEDRASDCVGOBRO-UHFFFAOYSA-N 0 0 223.279 2.965 50 0 BFAARN Cc1n[nH]c(C)c1NC(=O)c1ccc(C)cc1 ZINC000035134440 398303633 /nfs/dbraw/zinc/30/36/33/398303633.db2.gz ODNZGYZKKHHJDZ-UHFFFAOYSA-N 0 0 229.283 2.587 50 0 BFAARN Cc1cc(C(=O)NCc2ccccc2)cs1 ZINC000013327452 342865673 /nfs/dbraw/zinc/86/56/73/342865673.db2.gz CHCSNWYPSFCTLL-UHFFFAOYSA-N 0 0 231.320 2.987 50 0 BFAARN CC[C@H](NC(=O)[C@H]1CCCO1)c1ccc(C)cc1 ZINC000013328186 342865698 /nfs/dbraw/zinc/86/56/98/342865698.db2.gz BTNVBFONMFJOEG-UONOGXRCSA-N 0 0 247.338 2.741 50 0 BFAARN Cc1cc(C(=O)NC2CCCC2)cs1 ZINC000013329242 342865783 /nfs/dbraw/zinc/86/57/83/342865783.db2.gz GTAIUPLKYOMFHZ-UHFFFAOYSA-N 0 0 209.314 2.729 50 0 BFAARN COC(=O)Nc1ccc(Br)cc1C ZINC000013325712 342865828 /nfs/dbraw/zinc/86/58/28/342865828.db2.gz AGJUQTOEIMWQCV-UHFFFAOYSA-N 0 0 244.088 2.936 50 0 BFAARN O=c1cc(O)nc(-c2ccc(Cl)cc2)s1 ZINC000013555619 342867601 /nfs/dbraw/zinc/86/76/01/342867601.db2.gz XVGBBRBZACTKJH-UHFFFAOYSA-N 0 0 239.683 2.529 50 0 BFAARN CCOc1ccc(C(=O)N[C@H](C)CC)cc1C ZINC000013582202 342867931 /nfs/dbraw/zinc/86/79/31/342867931.db2.gz KGCIDBXYCBWMEU-LLVKDONJSA-N 0 0 235.327 2.922 50 0 BFAARN CCCc1ccc(C(=O)Nc2nncs2)cc1 ZINC000013746510 342871205 /nfs/dbraw/zinc/87/12/05/342871205.db2.gz APIHNAOEXONBOD-UHFFFAOYSA-N 0 0 247.323 2.743 50 0 BFAARN Fc1ccc(Cn2cc[nH]c2=S)cc1 ZINC000013776309 342871846 /nfs/dbraw/zinc/87/18/46/342871846.db2.gz AWRNKBMEDXPMIN-UHFFFAOYSA-N 0 0 208.261 2.733 50 0 BFAARN Cc1ccc(NCc2ccc(F)cc2)nn1 ZINC000032624600 342857235 /nfs/dbraw/zinc/85/72/35/342857235.db2.gz SPDRLWRNTLLTKQ-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN CC(=O)c1sc(NCc2ccco2)nc1C ZINC000003325927 398321424 /nfs/dbraw/zinc/32/14/24/398321424.db2.gz REFKKUFHVYISQB-UHFFFAOYSA-N 0 0 236.296 2.859 50 0 BFAARN Nc1cc(C(F)(F)F)cc(Cl)c1O ZINC000015443451 342896392 /nfs/dbraw/zinc/89/63/92/342896392.db2.gz RKJYNSFOVOVLQL-UHFFFAOYSA-N 0 0 211.570 2.647 50 0 BFAARN CCN(CC)C(=O)/C=C\c1ccccc1F ZINC000096405081 398317569 /nfs/dbraw/zinc/31/75/69/398317569.db2.gz ORFBORHRDLTVCA-KTKRTIGZSA-N 0 0 221.275 2.707 50 0 BFAARN Nc1cc(F)c(Br)cc1Cl ZINC000015444523 342896621 /nfs/dbraw/zinc/89/66/21/342896621.db2.gz QIXJYJRZGHXOLM-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN CCc1cc(C(=O)Nc2ccn(C)n2)sc1C ZINC000014899558 342889133 /nfs/dbraw/zinc/88/91/33/342889133.db2.gz ZPPNDMZULMQOHN-UHFFFAOYSA-N 0 0 249.339 2.605 50 0 BFAARN FC(F)Oc1cccc(OC(F)F)c1 ZINC000016082664 342906116 /nfs/dbraw/zinc/90/61/16/342906116.db2.gz WKUYZOKJVGOZNE-UHFFFAOYSA-N 0 0 210.126 2.889 50 0 BFAARN CCc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000016604362 342913344 /nfs/dbraw/zinc/91/33/44/342913344.db2.gz NJHCZZOEUKTJAV-RISCZKNCSA-N 0 0 247.338 2.546 50 0 BFAARN CCCCOc1ccc(C(=O)N(C)C)cc1 ZINC000016604197 342913405 /nfs/dbraw/zinc/91/34/05/342913405.db2.gz LFVLYUPTWIJRKK-UHFFFAOYSA-N 0 0 221.300 2.567 50 0 BFAARN O=C1CC2(CCCC2)Oc2ccccc21 ZINC000015973902 342904027 /nfs/dbraw/zinc/90/40/27/342904027.db2.gz ICHMJHUCIOLELS-UHFFFAOYSA-N 0 0 202.253 2.965 50 0 BFAARN CCOC(=O)/C=C\c1ccc(OCC)cc1 ZINC000017326018 342923621 /nfs/dbraw/zinc/92/36/21/342923621.db2.gz XFRWZVXVZIQXFI-YFHOEESVSA-N 0 0 220.268 2.662 50 0 BFAARN Nc1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000016677905 342914074 /nfs/dbraw/zinc/91/40/74/342914074.db2.gz HNNJZILWHYSZMW-UHFFFAOYSA-N 0 0 228.082 2.966 50 0 BFAARN Cc1occc1C(=O)N1CCCCCCC1 ZINC000016970507 342918082 /nfs/dbraw/zinc/91/80/82/342918082.db2.gz JJRCNSIRHBMZBO-UHFFFAOYSA-N 0 0 221.300 2.994 50 0 BFAARN CCCC[C@H](CC)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000016972622 342918346 /nfs/dbraw/zinc/91/83/46/342918346.db2.gz MVHPIEABOOAVTC-AVGNSLFASA-N 0 0 241.375 2.839 50 0 BFAARN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000032029739 398328268 /nfs/dbraw/zinc/32/82/68/398328268.db2.gz ZDQMHYYPXBUFPZ-ZWNOBZJWSA-N 0 0 232.327 2.699 50 0 BFAARN Clc1ccccc1CSc1nc[nH]n1 ZINC000017885861 342929472 /nfs/dbraw/zinc/92/94/72/342929472.db2.gz VFVGHCLXBZSMAE-UHFFFAOYSA-N 0 0 225.704 2.750 50 0 BFAARN Nc1cccc(Cl)c1OC(F)(F)F ZINC000138402260 398343024 /nfs/dbraw/zinc/34/30/24/398343024.db2.gz CDXBZMRQOUKXBS-UHFFFAOYSA-N 0 0 211.570 2.821 50 0 BFAARN Nc1cccc(COc2ccc(F)cc2)c1 ZINC000019266741 342944963 /nfs/dbraw/zinc/94/49/63/342944963.db2.gz KGXDFHZVDFLUTB-UHFFFAOYSA-N 0 0 217.243 2.987 50 0 BFAARN Nc1cc(NC(=O)Cc2ccccc2)ccc1F ZINC000019275872 342944988 /nfs/dbraw/zinc/94/49/88/342944988.db2.gz CEMQPDYJVLMSMS-UHFFFAOYSA-N 0 0 244.269 2.589 50 0 BFAARN CCCCCOc1ccc(N(C)C(N)=O)cc1 ZINC000095980750 398345041 /nfs/dbraw/zinc/34/50/41/398345041.db2.gz MBRJQIFYAJREMO-UHFFFAOYSA-N 0 0 236.315 2.771 50 0 BFAARN [NH3+][C@@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000019519016 342951069 /nfs/dbraw/zinc/95/10/69/342951069.db2.gz BJZGTTDEOZUSRH-AWEZNQCLSA-N 0 0 241.290 2.828 50 0 BFAARN Clc1ccc(CN2CCOCC2)cc1Cl ZINC000019634421 342952922 /nfs/dbraw/zinc/95/29/22/342952922.db2.gz OEEFIWRHPLVZMX-UHFFFAOYSA-N 0 0 246.137 2.826 50 0 BFAARN CC(C)C(=O)Nc1ccc(F)c(F)c1F ZINC000012381929 346897939 /nfs/dbraw/zinc/89/79/39/346897939.db2.gz CECLEOBLOKUDEX-UHFFFAOYSA-N 0 0 217.190 2.698 50 0 BFAARN CCCCOc1ccc(N)c2cccnc12 ZINC000019772633 342957054 /nfs/dbraw/zinc/95/70/54/342957054.db2.gz PLAGCOMHYGEWHM-UHFFFAOYSA-N 0 0 216.284 2.996 50 0 BFAARN CCc1ccc(C(=O)NCc2ccccn2)s1 ZINC000020212937 342977663 /nfs/dbraw/zinc/97/76/63/342977663.db2.gz GZGMITHMKGXKGV-UHFFFAOYSA-N 0 0 246.335 2.636 50 0 BFAARN CC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000078152230 259336376 /nfs/dbraw/zinc/33/63/76/259336376.db2.gz QFLGJBVPCJJYCM-KGLIPLIRSA-N 0 0 217.312 2.534 50 0 BFAARN COc1cc(CO)ccc1OCCC(C)C ZINC000020032058 342966698 /nfs/dbraw/zinc/96/66/98/342966698.db2.gz NAHMCBMHYFECKF-UHFFFAOYSA-N 0 0 224.300 2.612 50 0 BFAARN CCCNc1ccc(Br)cn1 ZINC000020567372 342990603 /nfs/dbraw/zinc/99/06/03/342990603.db2.gz HIEGJHDCEBPELP-UHFFFAOYSA-N 0 0 215.094 2.666 50 0 BFAARN Cc1ccc(C(=O)NC(=N)c2cccs2)cc1 ZINC000020230356 342978082 /nfs/dbraw/zinc/97/80/82/342978082.db2.gz STKJGOBGDNTGKJ-UHFFFAOYSA-N 0 0 244.319 2.812 50 0 BFAARN Cc1ccc(N[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000020313115 342981680 /nfs/dbraw/zinc/98/16/80/342981680.db2.gz SLDUTBQBFKWXGH-LBPRGKRZSA-N 0 0 234.343 2.568 50 0 BFAARN Nc1ccc(Cl)c(NC(=O)c2ccncc2)c1 ZINC000020344212 342982855 /nfs/dbraw/zinc/98/28/55/342982855.db2.gz UONFQZADUQNRJT-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN CC(C)(C)OC(=O)N[C@H]1C[C@H](O)c2ccccc21 ZINC000020357625 342983282 /nfs/dbraw/zinc/98/32/82/342983282.db2.gz REHNRWSWBXHXSB-RYUDHWBXSA-N 0 0 249.310 2.690 50 0 BFAARN Cc1cc(NC(=S)Nc2ccc(C)cc2)n[nH]1 ZINC000020375585 342984439 /nfs/dbraw/zinc/98/44/39/342984439.db2.gz YBYBLUOLOPYRAL-UHFFFAOYSA-N 0 0 246.339 2.835 50 0 BFAARN Cc1ccc(C)c(NC(=O)N2CCCC2)c1 ZINC000040498716 178480945 /nfs/dbraw/zinc/48/09/45/178480945.db2.gz WPOYWTOAGRDBJL-UHFFFAOYSA-N 0 0 218.300 2.931 50 0 BFAARN CC[C@@H](C)NC(=O)c1ccc(OC)c(Cl)c1 ZINC000021143524 343004389 /nfs/dbraw/zinc/00/43/89/343004389.db2.gz OGVIXTNGQFYBOL-MRVPVSSYSA-N 0 0 241.718 2.877 50 0 BFAARN Cc1ccoc1C(=O)Oc1ccc2c(c1)OCO2 ZINC000021667983 343017352 /nfs/dbraw/zinc/01/73/52/343017352.db2.gz TWSNOGGJKVNGIA-UHFFFAOYSA-N 0 0 246.218 2.536 50 0 BFAARN Cc1nc(CC(=O)Nc2ccccc2)cs1 ZINC000021354592 343011261 /nfs/dbraw/zinc/01/12/61/343011261.db2.gz PYUKVSFOQRHAGK-UHFFFAOYSA-N 0 0 232.308 2.633 50 0 BFAARN Cc1c(C)n(Cc2cccnc2)c(C)c1C=O ZINC000022122443 343040387 /nfs/dbraw/zinc/04/03/87/343040387.db2.gz YTGMWFUEYYPRHL-UHFFFAOYSA-N 0 0 228.295 2.669 50 0 BFAARN Nc1cc(Cl)ccc1C(=O)Nc1cccnc1 ZINC000022145272 343042417 /nfs/dbraw/zinc/04/24/17/343042417.db2.gz VDJHPGBXOBKBKR-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN Nc1nc2c(s1)CSc1ccccc1-2 ZINC000022154530 343042626 /nfs/dbraw/zinc/04/26/26/343042626.db2.gz WGBUMKYAWGTOBY-UHFFFAOYSA-N 0 0 220.322 2.998 50 0 BFAARN Nc1ccc(N2CCCC2)cc1C(F)(F)F ZINC000022150121 343042790 /nfs/dbraw/zinc/04/27/90/343042790.db2.gz VBKPAONDJVLHIO-UHFFFAOYSA-N 0 0 230.233 2.888 50 0 BFAARN Nc1ccc(F)c(NC(=O)c2ccsc2)c1 ZINC000021965163 343031540 /nfs/dbraw/zinc/03/15/40/343031540.db2.gz ZNLCCTOKPVCZTN-UHFFFAOYSA-N 0 0 236.271 2.722 50 0 BFAARN Cc1ccc(C)c(NC(=O)c2cccnc2)c1 ZINC000000029318 178482477 /nfs/dbraw/zinc/48/24/77/178482477.db2.gz LYVCDJZRPWHQGC-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(C)cc2F)no1 ZINC000022918291 343056610 /nfs/dbraw/zinc/05/66/10/343056610.db2.gz KSZJVMHICYSTGM-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN Cc1ccc(F)c(CNc2cnccn2)c1 ZINC000170612172 187226744 /nfs/dbraw/zinc/22/67/44/187226744.db2.gz FDZSWISMUBUSRE-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN O=C([O-])c1cc2c(s1)C[N@@H+](C1CCCC1)C2 ZINC000022201737 343043837 /nfs/dbraw/zinc/04/38/37/343043837.db2.gz SRQGZXCRGDNGMW-UHFFFAOYSA-N 0 0 237.324 2.705 50 0 BFAARN CCCc1ccccc1NC(=O)c1cnn(C)c1 ZINC000024503322 343072569 /nfs/dbraw/zinc/07/25/69/343072569.db2.gz KLUBISVLHAYSBG-UHFFFAOYSA-N 0 0 243.310 2.625 50 0 BFAARN CC(C)Cc1noc(CN2CCC(C)CC2)n1 ZINC000042666293 362016030 /nfs/dbraw/zinc/01/60/30/362016030.db2.gz NAORYWXLACBVQM-UHFFFAOYSA-N 0 0 237.347 2.500 50 0 BFAARN Cc1c(Br)cnc2ncccc12 ZINC000145500146 259349073 /nfs/dbraw/zinc/34/90/73/259349073.db2.gz DOZALCOKNIMKNG-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN Nc1ncc(-c2cccnc2)cc1C(F)(F)F ZINC000047212440 343075598 /nfs/dbraw/zinc/07/55/98/343075598.db2.gz LMGGMYHIORVJGZ-UHFFFAOYSA-N 0 0 239.200 2.745 50 0 BFAARN CC(C)(C)OC(=O)c1occc1Br ZINC000026340443 343104003 /nfs/dbraw/zinc/10/40/03/343104003.db2.gz STWBDYGNHJTHOY-UHFFFAOYSA-N 0 0 247.088 2.997 50 0 BFAARN CC(=O)c1ccc(C(F)(F)F)cc1O ZINC000026441295 343105123 /nfs/dbraw/zinc/10/51/23/343105123.db2.gz ZZKAWIIYPNENOX-UHFFFAOYSA-N 0 0 204.147 2.614 50 0 BFAARN Nc1ccc2cccc(C(F)(F)F)c2n1 ZINC000026474695 343105595 /nfs/dbraw/zinc/10/55/95/343105595.db2.gz WGUGHMBECREKMG-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN N[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000026506408 343105950 /nfs/dbraw/zinc/10/59/50/343105950.db2.gz LKPGGRAYFGWREN-ZDUSSCGKSA-N 0 0 211.264 2.569 50 0 BFAARN N[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000026506405 343105968 /nfs/dbraw/zinc/10/59/68/343105968.db2.gz LKPGGRAYFGWREN-CYBMUJFWSA-N 0 0 211.264 2.569 50 0 BFAARN Nc1cccc(-c2cnc3[nH]ccc3c2)c1 ZINC000038458016 343095105 /nfs/dbraw/zinc/09/51/05/343095105.db2.gz KTOWNYLGCMJVNU-UHFFFAOYSA-N 0 0 209.252 2.812 50 0 BFAARN COC(=O)Nc1ccc(F)c(Cl)c1 ZINC000006126163 343122769 /nfs/dbraw/zinc/12/27/69/343122769.db2.gz NHARMQRXAXLNNN-UHFFFAOYSA-N 0 0 203.600 2.657 50 0 BFAARN CCCC(=O)Nc1ccc2oc(C)nc2c1 ZINC000029796079 343146776 /nfs/dbraw/zinc/14/67/76/343146776.db2.gz ZSMPGFYODXIMBT-UHFFFAOYSA-N 0 0 218.256 2.875 50 0 BFAARN C[C@@H]1c2cccn2CCN1C(=O)CC(C)(C)C ZINC000012985051 343127957 /nfs/dbraw/zinc/12/79/57/343127957.db2.gz GISZFBKBOANLRB-LLVKDONJSA-N 0 0 234.343 2.828 50 0 BFAARN CC(=O)c1nc2cc(C)c(C)cc2nc1C ZINC000144149096 343130580 /nfs/dbraw/zinc/13/05/80/343130580.db2.gz MMTSLWXLRRBHLO-UHFFFAOYSA-N 0 0 214.268 2.758 50 0 BFAARN CCc1ccc(C(=O)N[C@H](C)c2cccnc2)o1 ZINC000028893637 343133986 /nfs/dbraw/zinc/13/39/86/343133986.db2.gz JULXYYRTXFTMLY-SNVBAGLBSA-N 0 0 244.294 2.728 50 0 BFAARN O=C(CCc1ccccc1Cl)NC1CC1 ZINC000040160877 343138163 /nfs/dbraw/zinc/13/81/63/343138163.db2.gz HRKRBYNIFPNVNH-UHFFFAOYSA-N 0 0 223.703 2.551 50 0 BFAARN CCCNc1ccc(C(F)(F)F)cn1 ZINC000019230656 343140690 /nfs/dbraw/zinc/14/06/90/343140690.db2.gz YADVIBMNOZVNEB-UHFFFAOYSA-N 0 0 204.195 2.922 50 0 BFAARN O=C(NCc1ccc(Cl)cc1)c1ccco1 ZINC000000037607 187244030 /nfs/dbraw/zinc/24/40/30/187244030.db2.gz ZYYQNPNUQWHIFR-UHFFFAOYSA-N 0 0 235.670 2.863 50 0 BFAARN CC(C)Cc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000000036301 187244557 /nfs/dbraw/zinc/24/45/57/187244557.db2.gz AXPYVDKDSBGYSR-UHFFFAOYSA-N 0 0 216.284 2.981 50 0 BFAARN CCN(CC)c1ccc(C(=O)NC(C)C)cc1 ZINC000000060754 187244424 /nfs/dbraw/zinc/24/44/24/187244424.db2.gz DKLYLHWZSYVLLD-UHFFFAOYSA-N 0 0 234.343 2.671 50 0 BFAARN CC(=O)Nc1ccc(-c2ccco2)cc1 ZINC000002597191 187246398 /nfs/dbraw/zinc/24/63/98/187246398.db2.gz YOUVSHSXXFRORJ-UHFFFAOYSA-N 0 0 201.225 2.905 50 0 BFAARN S=C1N=NC(c2cccs2)N1C1CC1 ZINC000004206587 187247132 /nfs/dbraw/zinc/24/71/32/187247132.db2.gz XNQIVODBVLOPRU-UHFFFAOYSA-N 0 0 223.326 2.630 50 0 BFAARN Cc1cccc(C)c1NCCCN1CCOC1=O ZINC000072296275 343216137 /nfs/dbraw/zinc/21/61/37/343216137.db2.gz GASRZEMFROXEGT-UHFFFAOYSA-N 0 0 248.326 2.558 50 0 BFAARN CC(C)N1C(=O)CS[C@H]1c1cccs1 ZINC000000179813 187244666 /nfs/dbraw/zinc/24/46/66/187244666.db2.gz LTODYDYHMWWOCY-JTQLQIEISA-N 0 0 227.354 2.731 50 0 BFAARN CC(C)(C)N1NC2(CCCCC2)NC1=S ZINC000001250247 187244775 /nfs/dbraw/zinc/24/47/75/187244775.db2.gz IOSBDCUCLGSGRX-UHFFFAOYSA-N 0 0 227.377 2.551 50 0 BFAARN CC(C)(Br)Br ZINC000002034561 187245130 /nfs/dbraw/zinc/24/51/30/187245130.db2.gz ARITXYXYCOZKMU-UHFFFAOYSA-N 0 0 201.889 2.512 50 0 BFAARN CC(C)(CO)c1cccc(Br)c1 ZINC000032015731 343228556 /nfs/dbraw/zinc/22/85/56/343228556.db2.gz IAJLEXJOQGSTAW-UHFFFAOYSA-N 0 0 229.117 2.719 50 0 BFAARN Nc1ccc(-c2n[nH]c3c2CCCC3)cc1 ZINC000032628097 343239111 /nfs/dbraw/zinc/23/91/11/343239111.db2.gz XNHBWYMEMZIJMV-UHFFFAOYSA-N 0 0 213.284 2.538 50 0 BFAARN CS(C)=NC(=O)c1ccc(Cl)cc1 ZINC000011536025 187249504 /nfs/dbraw/zinc/24/95/04/187249504.db2.gz YZUGYBGEMFPLPY-UHFFFAOYSA-N 0 0 215.705 2.542 50 0 BFAARN C=Cn1c2ccccc2nc1[C@H](O)C(F)(F)F ZINC000009913694 187249841 /nfs/dbraw/zinc/24/98/41/187249841.db2.gz LSCIGCGCZXCZBR-VIFPVBQESA-N 0 0 242.200 2.733 50 0 BFAARN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]1C ZINC000009647621 187249878 /nfs/dbraw/zinc/24/98/78/187249878.db2.gz SINRAOCJXRTBQW-APPZFPTMSA-N 0 0 239.702 2.943 50 0 BFAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1C ZINC000009647623 187249954 /nfs/dbraw/zinc/24/99/54/187249954.db2.gz SINRAOCJXRTBQW-VXNVDRBHSA-N 0 0 239.702 2.943 50 0 BFAARN Cc1cc(C(=O)N(C)[C@H](C)C2CC2)c(C)o1 ZINC000032907054 343243860 /nfs/dbraw/zinc/24/38/60/343243860.db2.gz MOBOTOPTPCWLPX-SECBINFHSA-N 0 0 221.300 2.767 50 0 BFAARN CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)Nc1cccnc1 ZINC000072304749 343244605 /nfs/dbraw/zinc/24/46/05/343244605.db2.gz XTCZSNUMKVPPMI-RYUDHWBXSA-N 0 0 247.342 2.980 50 0 BFAARN CC(C)CC(=O)N(C)c1nc2ccccc2o1 ZINC000012985600 187250515 /nfs/dbraw/zinc/25/05/15/187250515.db2.gz ZKYFLXZPCAYOQO-UHFFFAOYSA-N 0 0 232.283 2.837 50 0 BFAARN Cc1cc(CN(C)Cc2ccccc2)no1 ZINC000048375488 343256331 /nfs/dbraw/zinc/25/63/31/343256331.db2.gz YGWJPPKMZAZYAW-UHFFFAOYSA-N 0 0 216.284 2.615 50 0 BFAARN CCNc1ccc(Br)cc1 ZINC000019772264 187252576 /nfs/dbraw/zinc/25/25/76/187252576.db2.gz VYSQUDVPQJEULO-UHFFFAOYSA-N 0 0 200.079 2.881 50 0 BFAARN c1ccc(CCNOCc2ccccc2)cc1 ZINC000034316998 343268062 /nfs/dbraw/zinc/26/80/62/343268062.db2.gz KDFNIVPHPVLGNS-UHFFFAOYSA-N 0 0 227.307 2.951 50 0 BFAARN CC(C)(C)OC(=O)Nc1cccc2c1OCO2 ZINC000034383279 343268774 /nfs/dbraw/zinc/26/87/74/343268774.db2.gz DMJXLFFMPQLTHE-UHFFFAOYSA-N 0 0 237.255 2.762 50 0 BFAARN Cc1onc2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000000196789 343268791 /nfs/dbraw/zinc/26/87/91/343268791.db2.gz NTRHZKGBEZEVMN-LLVKDONJSA-N 0 0 227.263 2.896 50 0 BFAARN O=c1c2ccccc2ncn1C1CCCCC1 ZINC000000467602 343269922 /nfs/dbraw/zinc/26/99/22/343269922.db2.gz FTCCTWKIRSDYLK-UHFFFAOYSA-N 0 0 228.295 2.902 50 0 BFAARN OCCCCc1ccc(Br)cc1 ZINC000019728712 187252988 /nfs/dbraw/zinc/25/29/88/187252988.db2.gz NDWAJMWJTWOGFN-UHFFFAOYSA-N 0 0 229.117 2.764 50 0 BFAARN c1ccc(C2(c3ccccc3)NCCO2)cc1 ZINC000022229414 343272414 /nfs/dbraw/zinc/27/24/14/343272414.db2.gz HLHFYZNGWMQERN-UHFFFAOYSA-N 0 0 225.291 2.508 50 0 BFAARN CCSCc1cccc(OC(=O)NC)c1 ZINC000023114908 343272466 /nfs/dbraw/zinc/27/24/66/343272466.db2.gz YZAADVDWHGZOEU-UHFFFAOYSA-N 0 0 225.313 2.658 50 0 BFAARN COc1ccccc1NC(=O)N[C@H](C)C(C)C ZINC000018176125 187251785 /nfs/dbraw/zinc/25/17/85/187251785.db2.gz PQMMIUPKDLDHJF-SNVBAGLBSA-N 0 0 236.315 2.861 50 0 BFAARN Nc1ccc(F)cc1C(=O)Nc1ccccc1 ZINC000034959008 343281917 /nfs/dbraw/zinc/28/19/17/343281917.db2.gz LZCUYKGRVYUUCY-UHFFFAOYSA-N 0 0 230.242 2.660 50 0 BFAARN CCOc1cc(N)c(Cl)cc1Cl ZINC000036404995 343318229 /nfs/dbraw/zinc/31/82/29/343318229.db2.gz SEBBNQOHYVMSGI-UHFFFAOYSA-N 0 0 206.072 2.974 50 0 BFAARN Nc1cccc(Cl)c1Br ZINC000036471562 343319471 /nfs/dbraw/zinc/31/94/71/343319471.db2.gz JHHMLFBYFNAPDZ-UHFFFAOYSA-N 0 0 206.470 2.685 50 0 BFAARN Cc1c2cc(Br)ccc2nn1C ZINC000036533453 343319899 /nfs/dbraw/zinc/31/98/99/343319899.db2.gz USVKOVKNBREERF-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Cc1ccc(NCc2csnn2)c(F)c1 ZINC000036902159 343327017 /nfs/dbraw/zinc/32/70/17/343327017.db2.gz MFWCWTQPCUZDBT-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN Cc1c(N)n[nH]c1-c1cccc(OC(F)F)c1 ZINC000036935992 343328293 /nfs/dbraw/zinc/32/82/93/343328293.db2.gz VPZUYFLALCRPKH-UHFFFAOYSA-N 0 0 239.225 2.569 50 0 BFAARN Nc1cc(-c2ccoc2)nn1-c1ccccc1 ZINC000036938436 343328348 /nfs/dbraw/zinc/32/83/48/343328348.db2.gz PZGJQUITYVFWDE-UHFFFAOYSA-N 0 0 225.251 2.715 50 0 BFAARN CC(=O)Nc1ccc2[nH]c(C(C)C)nc2c1 ZINC000026440380 187254695 /nfs/dbraw/zinc/25/46/95/187254695.db2.gz VGMUQMCQCPFXNQ-UHFFFAOYSA-N 0 0 217.272 2.645 50 0 BFAARN N[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000035635999 343301282 /nfs/dbraw/zinc/30/12/82/343301282.db2.gz BEQZHFIKTBVCAU-LBPRGKRZSA-N 0 0 223.703 2.637 50 0 world BFAARN N[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000035635997 343301287 /nfs/dbraw/zinc/30/12/87/343301287.db2.gz BEQZHFIKTBVCAU-GFCCVEGCSA-N 0 0 223.703 2.637 50 0 world BFAARN Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000035728313 343302776 /nfs/dbraw/zinc/30/27/76/343302776.db2.gz DFASVFRYOKAYQB-UHFFFAOYSA-N 0 0 228.082 2.761 50 0 BFAARN Nc1ccnc2c(OC(F)(F)F)cccc12 ZINC000036075561 343308279 /nfs/dbraw/zinc/30/82/79/343308279.db2.gz TXQDWAKYWHIPPR-UHFFFAOYSA-N 0 0 228.173 2.716 50 0 BFAARN Cc1c(Br)c(N)nn1C1CCCC1 ZINC000020313731 187253804 /nfs/dbraw/zinc/25/38/04/187253804.db2.gz TZZRDPBUSTWPEJ-UHFFFAOYSA-N 0 0 244.136 2.651 50 0 BFAARN O=c1[nH]c2ccccc2n1C1=CCCCC1 ZINC000036378467 343316906 /nfs/dbraw/zinc/31/69/06/343316906.db2.gz YNUIAKDUHMTHBL-UHFFFAOYSA-N 0 0 214.268 2.745 50 0 BFAARN CCOC(=O)c1csc(-c2ccccc2)n1 ZINC000034117545 187257268 /nfs/dbraw/zinc/25/72/68/187257268.db2.gz UKKGDCGESAFSJY-UHFFFAOYSA-N 0 0 233.292 2.987 50 0 BFAARN Fc1cc(Cl)cnc1Br ZINC000038339177 343373819 /nfs/dbraw/zinc/37/38/19/343373819.db2.gz PYDGFYYLQFJQBZ-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN CC(C)(C)OC(=O)NCCCCCCCCO ZINC000038525475 343376106 /nfs/dbraw/zinc/37/61/06/343376106.db2.gz ZXNLQLJANDBXLE-UHFFFAOYSA-N 0 0 245.363 2.844 50 0 BFAARN Clc1cc2nccn2cc1Br ZINC000038534261 343376269 /nfs/dbraw/zinc/37/62/69/343376269.db2.gz KSAJQCCWMBQXFB-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN Cc1cc(C)n(-c2ncccc2Cl)n1 ZINC000038537441 343377070 /nfs/dbraw/zinc/37/70/70/343377070.db2.gz FGOQNKQVWGUEGZ-UHFFFAOYSA-N 0 0 207.664 2.538 50 0 BFAARN Nc1ccnn1-c1ccc(Cl)c(Cl)c1 ZINC000037245381 343340973 /nfs/dbraw/zinc/34/09/73/343340973.db2.gz XEZNZMRTTHUYQB-UHFFFAOYSA-N 0 0 228.082 2.761 50 0 BFAARN CC(C)=CC(=O)NCCSc1ccccc1 ZINC000039985482 187255929 /nfs/dbraw/zinc/25/59/29/187255929.db2.gz KZONMBPTUGLAEZ-UHFFFAOYSA-N 0 0 235.352 2.861 50 0 BFAARN Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 ZINC000037439119 343345342 /nfs/dbraw/zinc/34/53/42/343345342.db2.gz OHGFHBIPTNBMQE-UHFFFAOYSA-N 0 0 227.242 2.951 50 0 BFAARN CCOC(=O)C1=C(O)CC[C@@H](c2ccccc2)C1 ZINC000038665663 343378398 /nfs/dbraw/zinc/37/83/98/343378398.db2.gz JZNYKTFYDHOKCD-OLZOCXBDSA-N 0 0 246.306 2.703 50 0 BFAARN Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000039093453 343381982 /nfs/dbraw/zinc/38/19/82/343381982.db2.gz GLNZGGFNQUSLIJ-UHFFFAOYSA-N 0 0 208.261 2.737 50 0 BFAARN Nc1cnc2c(Br)cccc2c1 ZINC000039119786 343385849 /nfs/dbraw/zinc/38/58/49/343385849.db2.gz MBTYRZDRPHSJJS-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Cc1ccc(NC(=O)c2ccc(F)c(F)c2)nc1 ZINC000041818873 343424318 /nfs/dbraw/zinc/42/43/18/343424318.db2.gz ZOURKBVCQDQACF-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN Clc1n[nH]c2c1cccc2Br ZINC000040448716 343403935 /nfs/dbraw/zinc/40/39/35/343403935.db2.gz SXOKLXYCYCXCCH-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN O=C(CC1CCCC1)NCc1cccs1 ZINC000040457621 343404407 /nfs/dbraw/zinc/40/44/07/343404407.db2.gz ZTNHBVOFGKSJTO-UHFFFAOYSA-N 0 0 223.341 2.945 50 0 BFAARN Nc1cnc(Br)c2ccccc12 ZINC000039119826 343423668 /nfs/dbraw/zinc/42/36/68/343423668.db2.gz AHFWGWAQOVJQLZ-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Cc1ccc(CCC(=O)NCC(F)(F)F)cc1 ZINC000058246558 178524977 /nfs/dbraw/zinc/52/49/77/178524977.db2.gz YPLSMYQUIFDEFM-UHFFFAOYSA-N 0 0 245.244 2.606 50 0 BFAARN CCc1nc2sc(C)cc2c(NC)n1 ZINC000041090637 343415411 /nfs/dbraw/zinc/41/54/11/343415411.db2.gz ODCSALVNBQQFJP-UHFFFAOYSA-N 0 0 207.302 2.604 50 0 BFAARN C=CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000037828555 187260988 /nfs/dbraw/zinc/26/09/88/187260988.db2.gz DCWWMZJDFQWPFD-CYBMUJFWSA-N 0 0 231.295 2.545 50 0 BFAARN Cc1cc(Br)cnc1NC(C)C ZINC000042783855 343453542 /nfs/dbraw/zinc/45/35/42/343453542.db2.gz UBTGFSNUUQKKAY-UHFFFAOYSA-N 0 0 229.121 2.973 50 0 BFAARN Clc1cccc(NCc2cccnc2)n1 ZINC000042784037 343453783 /nfs/dbraw/zinc/45/37/83/343453783.db2.gz HVZXGXWRRVBSFA-UHFFFAOYSA-N 0 0 219.675 2.742 50 0 BFAARN Cc1ccc(CN(C)C(=O)C2CCC2)cc1 ZINC000033000481 178539436 /nfs/dbraw/zinc/53/94/36/178539436.db2.gz JTTZSPFSZHXKRL-UHFFFAOYSA-N 0 0 217.312 2.754 50 0 BFAARN Cc1nc(Cl)cc(-c2ccncc2)n1 ZINC000044119151 343492007 /nfs/dbraw/zinc/49/20/07/343492007.db2.gz FERCUFFRAPUCKR-UHFFFAOYSA-N 0 0 205.648 2.500 50 0 BFAARN O=C(c1ccc(C2OCCO2)cc1)C1CCC1 ZINC000043212700 343465993 /nfs/dbraw/zinc/46/59/93/343465993.db2.gz UOLDNSVNVLTFPV-UHFFFAOYSA-N 0 0 232.279 2.715 50 0 BFAARN O=C1CCCc2[nH]nc(Nc3ccccc3)c21 ZINC000043220737 343466218 /nfs/dbraw/zinc/46/62/18/343466218.db2.gz JKDLNVRZPMNCCS-UHFFFAOYSA-N 0 0 227.267 2.672 50 0 BFAARN CCCCC(=O)N(C)Cc1ccc(OC)cc1 ZINC000044818925 343515690 /nfs/dbraw/zinc/51/56/90/343515690.db2.gz LMEBZRWXCSTPBI-UHFFFAOYSA-N 0 0 235.327 2.844 50 0 BFAARN Cc1occc1C(=O)N(Cc1ccco1)C1CC1 ZINC000040060357 187263444 /nfs/dbraw/zinc/26/34/44/187263444.db2.gz XQFIEHZTJATFES-UHFFFAOYSA-N 0 0 245.278 2.986 50 0 BFAARN O=C(c1ccc2[nH]ccc2c1)C(F)(F)F ZINC000045787477 343534531 /nfs/dbraw/zinc/53/45/31/343534531.db2.gz BEAXZGXRMVALGL-UHFFFAOYSA-N 0 0 213.158 2.913 50 0 BFAARN Cc1csc(CNC(=O)CC(C)(C)C)n1 ZINC000048343502 343578344 /nfs/dbraw/zinc/57/83/44/343578344.db2.gz FKUYFOIOWVJGLM-UHFFFAOYSA-N 0 0 226.345 2.504 50 0 BFAARN Fc1ccc(Cc2nsc(Cl)n2)cc1 ZINC000047218912 343559073 /nfs/dbraw/zinc/55/90/73/343559073.db2.gz RAIOGYGCVOVRIV-UHFFFAOYSA-N 0 0 228.679 2.921 50 0 BFAARN COCC(=O)CCCCc1ccccc1 ZINC000043504963 187266791 /nfs/dbraw/zinc/26/67/91/187266791.db2.gz YIWDCNWPEXINPR-UHFFFAOYSA-N 0 0 206.285 2.615 50 0 BFAARN C[C@@H]1CN(C(=O)C2=CCCC2)CCC1(F)F ZINC000335862113 344034945 /nfs/dbraw/zinc/03/49/45/344034945.db2.gz JWHUXRYHUHPNNQ-SECBINFHSA-N 0 0 229.270 2.600 50 0 BFAARN Clc1nc(Cl)c2c(n1)CCSC2 ZINC000044136805 187268217 /nfs/dbraw/zinc/26/82/17/187268217.db2.gz IHJDGIDSEZWIQT-UHFFFAOYSA-N 0 0 221.112 2.573 50 0 BFAARN Nc1ccc(Br)cc1OCC1CC1 ZINC000083732133 343662958 /nfs/dbraw/zinc/66/29/58/343662958.db2.gz NFELTKIQPDARDT-UHFFFAOYSA-N 0 0 242.116 2.820 50 0 BFAARN CC(C)CNC(=O)C(C)(C)c1ccccc1 ZINC000058296149 343699528 /nfs/dbraw/zinc/69/95/28/343699528.db2.gz KVFPTJUFULFRTH-UHFFFAOYSA-N 0 0 219.328 2.736 50 0 BFAARN CC(C)C[C@@H](C)N(C)Cc1nc(C2CC2)no1 ZINC000045770122 187269616 /nfs/dbraw/zinc/26/96/16/187269616.db2.gz XOOJOFULJRBKGM-SNVBAGLBSA-N 0 0 237.347 2.813 50 0 BFAARN CCc1cnc([C@H](C)Nc2ncccn2)s1 ZINC000096455830 343742874 /nfs/dbraw/zinc/74/28/74/343742874.db2.gz HNJCYNCXJWTARX-QMMMGPOBSA-N 0 0 234.328 2.669 50 0 BFAARN CC1=C[C@@H](C)C2(COC(C)OC2)[C@@H](C)C1 ZINC000000517781 346959000 /nfs/dbraw/zinc/95/90/00/346959000.db2.gz BAYLCXARJZNKOL-IALDZJHCSA-N 0 0 210.317 2.988 50 0 biogenic BFAARN CC(=O)NCc1cccnc1-c1cccc(C)c1 ZINC000064542235 187273910 /nfs/dbraw/zinc/27/39/10/187273910.db2.gz FRNZMJHLKHFAFZ-UHFFFAOYSA-N 0 0 240.306 2.693 50 0 BFAARN CC(C)(C)c1ccc(C2=NC(C)(C)NC2=O)cc1 ZINC000067240479 187273797 /nfs/dbraw/zinc/27/37/97/187273797.db2.gz NKCQECUGJMNANX-UHFFFAOYSA-N 0 0 244.338 2.639 50 0 BFAARN CCC/C=C/c1ccc(C(=O)NCC)cn1 ZINC000067872560 187274873 /nfs/dbraw/zinc/27/48/73/187274873.db2.gz FNWWFGILPBUEQT-VOTSOKGWSA-N 0 0 218.300 2.645 50 0 BFAARN CC(=O)NCCCSc1ccc(C)c(C)c1 ZINC000067944471 187274984 /nfs/dbraw/zinc/27/49/84/187274984.db2.gz CYTHTJKKYSVINH-UHFFFAOYSA-N 0 0 237.368 2.922 50 0 BFAARN O=C(CC1CCCC1)NCCc1ccoc1 ZINC000090607371 187275026 /nfs/dbraw/zinc/27/50/26/187275026.db2.gz FNSGDULZUCTYDM-UHFFFAOYSA-N 0 0 221.300 2.519 50 0 BFAARN Cc1ccc([C@@H](O)C(=O)c2ccccc2)cc1 ZINC000000393404 537820953 /nfs/dbraw/zinc/82/09/53/537820953.db2.gz ZCXVYFZJKVHMJO-OAHLLOKOSA-N 0 0 226.275 2.911 50 0 BFAARN CC(C)C[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000073187771 187277362 /nfs/dbraw/zinc/27/73/62/187277362.db2.gz BZHOSGCMZBJWTA-LLVKDONJSA-N 0 0 220.316 2.523 50 0 BFAARN O=Cc1c2c(ccc1OCC1CC1)CCC2 ZINC000096675768 343875300 /nfs/dbraw/zinc/87/53/00/343875300.db2.gz JEOILLMDTUYJOM-UHFFFAOYSA-N 0 0 216.280 2.777 50 0 BFAARN CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000084774045 187285805 /nfs/dbraw/zinc/28/58/05/187285805.db2.gz LXLKYWJOLBMBNF-UHFFFAOYSA-N 0 0 237.347 2.894 50 0 BFAARN CCCO[C@H]1CCC[C@@H](CCCO)C1 ZINC000238252005 344104293 /nfs/dbraw/zinc/10/42/93/344104293.db2.gz KNCACCCFPLJHEI-RYUDHWBXSA-N 0 0 200.322 2.744 50 0 BFAARN Nc1nc(Cl)cc(Oc2ccccc2F)n1 ZINC000000050305 344100398 /nfs/dbraw/zinc/10/03/98/344100398.db2.gz KCKIEZPENRCELH-UHFFFAOYSA-N 0 0 239.637 2.644 50 0 BFAARN C(=C/c1nccs1)\c1ccnn1CC1CC1 ZINC000585136082 344148518 /nfs/dbraw/zinc/14/85/18/344148518.db2.gz PGJVDHNSSPXOGA-ONEGZZNKSA-N 0 0 231.324 2.920 50 0 BFAARN CC(=O)Oc1ccc(Br)cc1C ZINC000095883779 187288976 /nfs/dbraw/zinc/28/89/76/187288976.db2.gz JWQZSPJVILXASP-UHFFFAOYSA-N 0 0 229.073 2.683 50 0 BFAARN CCCCCCS[C@@H]1C=CS(=O)(=O)C1 ZINC000004772738 344210888 /nfs/dbraw/zinc/21/08/88/344210888.db2.gz HUQJUQVTBCVIHN-SNVBAGLBSA-N 0 0 234.386 2.611 50 0 BFAARN C/C=C\CSCC(=O)NC1CCCCC1 ZINC000098009548 187289507 /nfs/dbraw/zinc/28/95/07/187289507.db2.gz KMLLBJXGWVNGRI-IHWYPQMZSA-N 0 0 227.373 2.745 50 0 BFAARN Cc1ccc(Cl)c2sc(=N)n(C)c21 ZINC000100969207 178660947 /nfs/dbraw/zinc/66/09/47/178660947.db2.gz OQLBFTKBXIDLSH-UHFFFAOYSA-N 0 0 212.705 2.681 50 0 BFAARN CC(C)CNC(=O)c1cccc2c1CCCC2 ZINC000096171188 344368425 /nfs/dbraw/zinc/36/84/25/344368425.db2.gz DFXIOZRJWOQHGG-UHFFFAOYSA-N 0 0 231.339 2.951 50 0 BFAARN C[C@@H](CCc1ccccc1)NC(=O)C(F)(F)F ZINC000006249537 344387363 /nfs/dbraw/zinc/38/73/63/344387363.db2.gz MDBNHAHKSSMQME-VIFPVBQESA-N 0 0 245.244 2.686 50 0 BFAARN CCN(CC1CC1)C(=O)NCCC(C)(C)C ZINC000084774536 344474647 /nfs/dbraw/zinc/47/46/47/344474647.db2.gz YLWHBHCBPJIASX-UHFFFAOYSA-N 0 0 226.364 2.864 50 0 BFAARN O=C(CN1CCCCCC1)c1ccc(F)cc1 ZINC000004834534 344485875 /nfs/dbraw/zinc/48/58/75/344485875.db2.gz DEONIWYWFIPSBL-UHFFFAOYSA-N 0 0 235.302 2.884 50 0 BFAARN CC[C@](NC=O)(c1ccc(F)cc1)C(C)C ZINC000044124834 344536054 /nfs/dbraw/zinc/53/60/54/344536054.db2.gz NDQGQPTTZXQRJE-CYBMUJFWSA-N 0 0 223.291 2.833 50 0 BFAARN CCC1=NC(=S)N[C@H](c2ccccc2)C1C ZINC000000128236 344558004 /nfs/dbraw/zinc/55/80/04/344558004.db2.gz SELDAKJWYJEBBF-LBPRGKRZSA-N 0 0 232.352 2.889 50 0 BFAARN CCc1ccc(/C=C/C(=O)Nc2nccs2)o1 ZINC000011689815 344598884 /nfs/dbraw/zinc/59/88/84/344598884.db2.gz KOCZBXFNZQWWHG-AATRIKPKSA-N 0 0 248.307 2.950 50 0 BFAARN Cc1oc(-c2ccccc2Cl)[n+]([O-])c1C ZINC000000215801 344644091 /nfs/dbraw/zinc/64/40/91/344644091.db2.gz UGTXXPSJAQZSSP-UHFFFAOYSA-N 0 0 223.659 2.850 50 0 BFAARN Cc1cc(C)n(C(=O)N(C)c2ccc(C)cc2)n1 ZINC000000079628 178697542 /nfs/dbraw/zinc/69/75/42/178697542.db2.gz QCMKAYGCTVOUMN-UHFFFAOYSA-N 0 0 243.310 2.913 50 0 BFAARN COCn1cnc2cccc3cccc1c32 ZINC000000353544 344722669 /nfs/dbraw/zinc/72/26/69/344722669.db2.gz UAWXNRPOFPKIDF-UHFFFAOYSA-N 0 0 212.252 2.793 50 0 BFAARN O=C(Oc1cccc(O)c1)c1cccc(F)c1 ZINC000000365043 344731916 /nfs/dbraw/zinc/73/19/16/344731916.db2.gz QRWUMUYKLBZYJJ-UHFFFAOYSA-N 0 0 232.210 2.751 50 0 BFAARN CCCc1nn2c(nnc2-c2ccccc2)s1 ZINC000000385293 344739725 /nfs/dbraw/zinc/73/97/25/344739725.db2.gz GRTMXNKKELBORX-UHFFFAOYSA-N 0 0 244.323 2.805 50 0 BFAARN COc1nnc(-c2ccccc2Cl)s1 ZINC000000384508 344739811 /nfs/dbraw/zinc/73/98/11/344739811.db2.gz PNRVCDNGEKWCEH-UHFFFAOYSA-N 0 0 226.688 2.867 50 0 BFAARN Cc1ccc(N)cc1NC(=O)c1cccs1 ZINC000020157063 178707482 /nfs/dbraw/zinc/70/74/82/178707482.db2.gz GLPSYCAKGSAHMF-UHFFFAOYSA-N 0 0 232.308 2.891 50 0 BFAARN Cc1ccc(NC(=O)C2CC2)cc1Cl ZINC000000364267 178720610 /nfs/dbraw/zinc/72/06/10/178720610.db2.gz JSZIDEKIESWCSH-UHFFFAOYSA-N 0 0 209.676 2.997 50 0 BFAARN Cc1ccc(NC(=O)c2ccccn2)cc1 ZINC000003548018 178753044 /nfs/dbraw/zinc/75/30/44/178753044.db2.gz WORRRULUJWEBMH-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN Cc1ccc(NC2=CC(=O)O[C@H](C)C2)cc1 ZINC000008681027 178757206 /nfs/dbraw/zinc/75/72/06/178757206.db2.gz BMXLBENZQWZURO-SNVBAGLBSA-N 0 0 217.268 2.626 50 0 BFAARN CC(C)=CCC(C)(C)[C@@H]1OCCN1C(C)=O ZINC000000518395 187299276 /nfs/dbraw/zinc/29/92/76/187299276.db2.gz HJGQZOKFMCPBEJ-LBPRGKRZSA-N 0 0 225.332 2.574 50 0 biogenic BFAARN CCCCC(=O)Nc1onc2c1C[C@H](C)CC2 ZINC000011917218 345068186 /nfs/dbraw/zinc/06/81/86/345068186.db2.gz GHCZJNGEBOQTSC-SECBINFHSA-N 0 0 236.315 2.928 50 0 BFAARN CCc1cc(=O)[nH]c(Nc2ccc(Cl)cc2)n1 ZINC000011903424 345061147 /nfs/dbraw/zinc/06/11/47/345061147.db2.gz YSUWZFFOGJSLKK-UHFFFAOYSA-N 0 0 249.701 2.729 50 0 BFAARN CCc1cc(=O)[nH]c(Nc2ccc(C)c(C)c2)n1 ZINC000011903435 345061282 /nfs/dbraw/zinc/06/12/82/345061282.db2.gz UORVOXWVMGDNGG-UHFFFAOYSA-N 0 0 243.310 2.693 50 0 BFAARN CCCC(=O)Nc1onc2c1C[C@H](C)CC2 ZINC000011915730 345068150 /nfs/dbraw/zinc/06/81/50/345068150.db2.gz WQKDBNVOZOZROE-MRVPVSSYSA-N 0 0 222.288 2.538 50 0 BFAARN CCOc1cnc(-c2ccc(F)cc2)o1 ZINC000001404507 187301318 /nfs/dbraw/zinc/30/13/18/187301318.db2.gz BGADCYHEEWQVEZ-UHFFFAOYSA-N 0 0 207.204 2.879 50 0 BFAARN Cc1oc(C)c(C(=O)NCC(C)C)c1C ZINC000032808558 537892219 /nfs/dbraw/zinc/89/22/19/537892219.db2.gz BPPCNXLAHJDYNU-UHFFFAOYSA-N 0 0 209.289 2.591 50 0 BFAARN CC1(C)C[C@]23C(=O)CCC(=O)[C@@]2(C)CC[C@H]13 ZINC000001410174 187301492 /nfs/dbraw/zinc/30/14/92/187301492.db2.gz PLFWLYJWPAOEIB-FZQKWOKYSA-N 0 0 220.312 2.751 50 0 BFAARN O=C(CCC1CCCCC1)NC[C@H]1CCCO1 ZINC000000433999 345713689 /nfs/dbraw/zinc/71/36/89/345713689.db2.gz QRFBCFXKGGHMBD-CYBMUJFWSA-N 0 0 239.359 2.642 50 0 BFAARN O=C1C[C@H](c2ccccc2)C1(Cl)Cl ZINC000000246003 345823575 /nfs/dbraw/zinc/82/35/75/345823575.db2.gz IMSRXSVLHDRDGF-MRVPVSSYSA-N 0 0 215.079 2.917 50 0 BFAARN Cc1n[nH]c2c1C(=O)C[C@H](c1ccc(C)cc1)C2 ZINC000009185671 178918248 /nfs/dbraw/zinc/91/82/48/178918248.db2.gz KIKNHUUQUMUDEP-GFCCVEGCSA-N 0 0 240.306 2.939 50 0 BFAARN Cc1cc2cccnc2c(NCc2ncc[nH]2)c1 ZINC000092850036 345824588 /nfs/dbraw/zinc/82/45/88/345824588.db2.gz HCIJGXJVRAKRPH-UHFFFAOYSA-N 0 0 238.294 2.878 50 0 BFAARN Cc1nc(C(=O)OCc2cccs2)cs1 ZINC000170596541 345870341 /nfs/dbraw/zinc/87/03/41/345870341.db2.gz UTBOSWZLNLQESN-UHFFFAOYSA-N 0 0 239.321 2.870 50 0 BFAARN c1ccc(CCOCc2noc(C3CC3)n2)cc1 ZINC000170604745 345871104 /nfs/dbraw/zinc/87/11/04/345871104.db2.gz YYPQEPOWLIZJBD-UHFFFAOYSA-N 0 0 244.294 2.706 50 0 BFAARN CCc1nnc(CN[C@@H](C)c2cc(C)oc2C)o1 ZINC000183775097 345940228 /nfs/dbraw/zinc/94/02/28/345940228.db2.gz BFJRQYWQOFISMU-VIFPVBQESA-N 0 0 249.314 2.693 50 0 BFAARN CC[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(=O)[O-] ZINC000191424927 346027482 /nfs/dbraw/zinc/02/74/82/346027482.db2.gz NBTYLQBRCHFRCX-ZIAGYGMSSA-N 0 0 247.338 2.981 50 0 BFAARN Cc1ccc2[nH]c([C@@H](O)c3ccccc3)nc2c1 ZINC000026462310 178978675 /nfs/dbraw/zinc/97/86/75/178978675.db2.gz JFCGJONXAJJUDD-AWEZNQCLSA-N 0 0 238.290 2.953 50 0 BFAARN O=C(C1CC=CC1)N1CC[C@H]2CCCC[C@@H]21 ZINC000076985123 537938223 /nfs/dbraw/zinc/93/82/23/537938223.db2.gz QCBVNZPXMGZBJL-YPMHNXCESA-N 0 0 219.328 2.744 50 0 BFAARN Cc1ccc2nc(Cl)c(CO)cc2c1 ZINC000000421635 178978812 /nfs/dbraw/zinc/97/88/12/178978812.db2.gz JYQVWLZEYAYKHI-UHFFFAOYSA-N 0 0 207.660 2.689 50 0 BFAARN COc1ccc(-c2cc3nncnc3s2)cc1 ZINC000001020734 346177295 /nfs/dbraw/zinc/17/72/95/346177295.db2.gz ILJQAQVARBVTHK-UHFFFAOYSA-N 0 0 243.291 2.762 50 0 BFAARN CSc1ccc2nc(NC(C)=O)sc2c1 ZINC000005299077 346182806 /nfs/dbraw/zinc/18/28/06/346182806.db2.gz TUKFUPRPMSMENK-UHFFFAOYSA-N 0 0 238.337 2.977 50 0 BFAARN CCCCC(=O)Nc1nonc1-c1ccccc1 ZINC000005353910 346194405 /nfs/dbraw/zinc/19/44/05/346194405.db2.gz PXIUTZAZWQLQFV-UHFFFAOYSA-N 0 0 245.282 2.865 50 0 BFAARN CCOc1ncccc1C(=O)Nc1ccccc1 ZINC000005474933 346236554 /nfs/dbraw/zinc/23/65/54/346236554.db2.gz XQOKSILXURGKOY-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN Cc1cccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)n1 ZINC000089688916 179008915 /nfs/dbraw/zinc/00/89/15/179008915.db2.gz TWQCUDIFGZLDPJ-GXTWGEPZSA-N 0 0 244.338 2.795 50 0 BFAARN CC(C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000005497578 346242070 /nfs/dbraw/zinc/24/20/70/346242070.db2.gz CUPIWPHTTQUUHT-UHFFFAOYSA-N 0 0 213.227 2.949 50 0 BFAARN O=C1Nc2ccccc2S[C@@H]1N1CCCCC1 ZINC000003353387 537961880 /nfs/dbraw/zinc/96/18/80/537961880.db2.gz TYRSEKOROXBGKY-ZDUSSCGKSA-N 0 0 248.351 2.543 50 0 BFAARN Cc1cccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C ZINC000012978831 179013878 /nfs/dbraw/zinc/01/38/78/179013878.db2.gz NZXUFRCDGTXOOL-RYUDHWBXSA-N 0 0 247.338 2.553 50 0 BFAARN Cc1nc(N)sc1-c1ccnc(C2(C)CC2)n1 ZINC000095629746 346251905 /nfs/dbraw/zinc/25/19/05/346251905.db2.gz XVAPOSXKBUGSEQ-UHFFFAOYSA-N 0 0 246.339 2.542 50 0 BFAARN Cc1nc(N)sc1-c1ccnc([C@H]2C[C@H]2C)n1 ZINC000095629766 346252334 /nfs/dbraw/zinc/25/23/34/346252334.db2.gz ZHTPRFXALUPNCR-SVRRBLITSA-N 0 0 246.339 2.614 50 0 BFAARN Cc1cccc(C(=O)NCc2ccco2)c1C ZINC000006566676 179019894 /nfs/dbraw/zinc/01/98/94/179019894.db2.gz LYHRCOSSXQSDCY-UHFFFAOYSA-N 0 0 229.279 2.826 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)c2cccc(C)n2)o1 ZINC000040051422 179021784 /nfs/dbraw/zinc/02/17/84/179021784.db2.gz KWDDZZDDTVZVGX-NSHDSACASA-N 0 0 244.294 2.782 50 0 BFAARN Cc1cccc(C(=O)c2ccc(F)cc2)n1 ZINC000045028471 179026809 /nfs/dbraw/zinc/02/68/09/179026809.db2.gz CASIQBXVTYGYMW-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN Cc1cccc(C(=O)c2ccccc2N)c1 ZINC000034376560 179027265 /nfs/dbraw/zinc/02/72/65/179027265.db2.gz OMQSFYCLALWVOF-UHFFFAOYSA-N 0 0 211.264 2.808 50 0 BFAARN Cc1cccc(C)c1NC(=O)N1CCCC1 ZINC000040526406 179040411 /nfs/dbraw/zinc/04/04/11/179040411.db2.gz PUWMIPVILLCTAF-UHFFFAOYSA-N 0 0 218.300 2.931 50 0 BFAARN Cc1cccc(C)c1NC1=NCCS1 ZINC000013835955 179043940 /nfs/dbraw/zinc/04/39/40/179043940.db2.gz VLUXBNSRYHXDBV-UHFFFAOYSA-N 0 0 206.314 2.818 50 0 BFAARN CC(C)(C)OC(=O)N1CCCC[C@H]2C[C@@H]21 ZINC000669378647 537968340 /nfs/dbraw/zinc/96/83/40/537968340.db2.gz LBMYDKALZQLSEU-UWVGGRQHSA-N 0 0 211.305 2.796 50 0 BFAARN Cc1nnsc1C(=O)Nc1c(C)cccc1C ZINC000000139061 179044179 /nfs/dbraw/zinc/04/41/79/179044179.db2.gz FMMCUTKKLQMDNJ-UHFFFAOYSA-N 0 0 247.323 2.716 50 0 BFAARN CCCC(=O)NCc1ccccc1Cl ZINC000000458032 168553072 /nfs/dbraw/zinc/55/30/72/168553072.db2.gz UYUNLPUCQIXOCX-UHFFFAOYSA-N 0 0 211.692 2.756 50 0 BFAARN COC(=O)Cc1csc2ccc(C)cc12 ZINC000000172251 346402079 /nfs/dbraw/zinc/40/20/79/346402079.db2.gz ZXKVFSLMPZWEKJ-UHFFFAOYSA-N 0 0 220.293 2.925 50 0 BFAARN CC(C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000000074106 346403579 /nfs/dbraw/zinc/40/35/79/346403579.db2.gz GFYWEGWVHUWPKP-UHFFFAOYSA-N 0 0 241.360 2.721 50 0 BFAARN CCc1cc2c(ncnc2N2CCCC2)s1 ZINC000000349919 346414284 /nfs/dbraw/zinc/41/42/84/346414284.db2.gz BMCSDWHTOFJIFL-UHFFFAOYSA-N 0 0 233.340 2.854 50 0 BFAARN Cn1cnnc1SCc1ccc(Cl)cc1 ZINC000000484366 346417143 /nfs/dbraw/zinc/41/71/43/346417143.db2.gz SHRLSJRAYJBMNC-UHFFFAOYSA-N 0 0 239.731 2.761 50 0 BFAARN O=Cc1ccc(SCc2ccco2)o1 ZINC000000615734 346420429 /nfs/dbraw/zinc/42/04/29/346420429.db2.gz BFJMLAFQZYIMHX-UHFFFAOYSA-N 0 0 208.238 2.977 50 0 BFAARN CC(C)(C)C(=O)N1CCc2ccccc21 ZINC000001481019 346447912 /nfs/dbraw/zinc/44/79/12/346447912.db2.gz UIOSPFGFEDYHTR-UHFFFAOYSA-N 0 0 203.285 2.622 50 0 BFAARN C/C=C/C(=O)N1c2ccccc2C=C[C@@H]1C#N ZINC000000478145 346485110 /nfs/dbraw/zinc/48/51/10/346485110.db2.gz NCOHVZHKOSNEBL-ROLFPQFPSA-N 0 0 224.263 2.515 50 0 BFAARN O=C1O[C@@H]2CCCC[C@@H]2[C@H]1c1ccccc1 ZINC000001681766 346464204 /nfs/dbraw/zinc/46/42/04/346464204.db2.gz NHZLOUXGQVISND-YNEHKIRRSA-N 0 0 216.280 2.886 50 0 BFAARN C[S@@](=O)/C=C\c1ccc(Cl)cc1 ZINC000203634405 346503395 /nfs/dbraw/zinc/50/33/95/346503395.db2.gz KWIIEDMAHNVLDQ-ZHRWSRJISA-N 0 0 200.690 2.689 50 0 BFAARN Clc1ccccc1CNc1nncs1 ZINC000069965687 349969965 /nfs/dbraw/zinc/96/99/65/349969965.db2.gz JVRQKTOGOMRVJJ-UHFFFAOYSA-N 0 0 225.704 2.804 50 0 BFAARN C[C@H](Nc1cnn(C)c1)c1nc2ccccc2o1 ZINC000186167008 346496083 /nfs/dbraw/zinc/49/60/83/346496083.db2.gz CXLWREJOULHYOI-VIFPVBQESA-N 0 0 242.282 2.734 50 0 BFAARN CCCCN(C)c1ccc(NC(C)=O)cc1 ZINC000002187200 346497944 /nfs/dbraw/zinc/49/79/44/346497944.db2.gz FPJIMHYMQMPZCY-UHFFFAOYSA-N 0 0 220.316 2.881 50 0 BFAARN Cc1cc(C(=O)Nc2cc(C)cc(C)c2)on1 ZINC000006789160 346526726 /nfs/dbraw/zinc/52/67/26/346526726.db2.gz DVPQPXUYRMVUTG-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN Cc1cnc(CCN(C)c2cccc(C)n2)s1 ZINC000158207049 179115719 /nfs/dbraw/zinc/11/57/19/179115719.db2.gz WKDIQMOCNDIOLM-UHFFFAOYSA-N 0 0 247.367 2.834 50 0 BFAARN CCN(C(=O)N(C)C)c1ccccc1C ZINC000004827075 346608137 /nfs/dbraw/zinc/60/81/37/346608137.db2.gz NIGCMFCNHQKISW-UHFFFAOYSA-N 0 0 206.289 2.503 50 0 BFAARN Cc1ccn(CCC(=O)Nc2cccc(C)c2)n1 ZINC000020989596 179127035 /nfs/dbraw/zinc/12/70/35/179127035.db2.gz GQAQPOMKOLTGMI-UHFFFAOYSA-N 0 0 243.310 2.529 50 0 BFAARN Cc1cccc(NC(=O)NCCc2ccoc2)c1 ZINC000090607452 179134895 /nfs/dbraw/zinc/13/48/95/179134895.db2.gz VIEXBPXDXWDSTO-UHFFFAOYSA-N 0 0 244.294 2.952 50 0 BFAARN Cc1cccc(NC(=O)NCc2ccccc2)n1 ZINC000012462968 179135056 /nfs/dbraw/zinc/13/50/56/179135056.db2.gz PKQNQVOOKSPFLY-UHFFFAOYSA-N 0 0 241.294 2.712 50 0 BFAARN Cc1cccc(NC(=O)[C@@H](O)c2ccccc2)c1 ZINC000000238133 179137259 /nfs/dbraw/zinc/13/72/59/179137259.db2.gz KDQLRKCTZXGNPJ-AWEZNQCLSA-N 0 0 241.290 2.667 50 0 BFAARN Cc1cccc(NC(=O)Cc2ccccc2)n1 ZINC000000360813 179129632 /nfs/dbraw/zinc/12/96/32/179129632.db2.gz CJSFKWVRCVDREK-UHFFFAOYSA-N 0 0 226.279 2.571 50 0 BFAARN Cc1cccc(NC(=O)N2CCCCCC2)n1 ZINC000096013073 179130625 /nfs/dbraw/zinc/13/06/25/179130625.db2.gz RGRWTOUUOHCQBO-UHFFFAOYSA-N 0 0 233.315 2.798 50 0 BFAARN Cc1cccc(NC(=O)NCC(C)C)c1 ZINC000000396898 179133285 /nfs/dbraw/zinc/13/32/85/179133285.db2.gz HAYVYADDUNSPGV-UHFFFAOYSA-N 0 0 206.289 2.773 50 0 BFAARN CCCC(=O)Nc1ccc2c(c1)ncn2CC ZINC000004754994 168563899 /nfs/dbraw/zinc/56/38/99/168563899.db2.gz UFFYXGRFLUCMKD-UHFFFAOYSA-N 0 0 231.299 2.795 50 0 BFAARN Cc1nn(C)c(C)c1C(=O)Nc1cccc(C)c1 ZINC000012951455 179141050 /nfs/dbraw/zinc/14/10/50/179141050.db2.gz JQMXPTDUHLPIRG-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN Cc1cc(C(=O)Nc2cccc(C)c2)no1 ZINC000009387484 179142213 /nfs/dbraw/zinc/14/22/13/179142213.db2.gz GGUFULTUWSXUDA-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN COc1cc(-c2csc(C=O)c2)ccn1 ZINC000725242456 537985453 /nfs/dbraw/zinc/98/54/53/537985453.db2.gz GUNODHCEVKXCSH-UHFFFAOYSA-N 0 0 219.265 2.631 50 0 BFAARN Cc1cccc(N[C@H](C)C[C@@H](O)c2ccco2)n1 ZINC000097096519 179156712 /nfs/dbraw/zinc/15/67/12/179156712.db2.gz FUMYGTDTCJEEJB-VXGBXAGGSA-N 0 0 246.310 2.907 50 0 BFAARN Cc1cccc(Nc2ncnc3n[nH]cc32)c1C ZINC000011856428 179160283 /nfs/dbraw/zinc/16/02/83/179160283.db2.gz VYOBUBOQHWNXPP-UHFFFAOYSA-N 0 0 239.282 2.713 50 0 BFAARN Cc1cccc(NC2N=NC(=S)S2)c1 ZINC000001735995 179160312 /nfs/dbraw/zinc/16/03/12/179160312.db2.gz DRCBGFQZMQJJJL-UHFFFAOYSA-N 0 0 223.326 2.879 50 0 BFAARN Cc1cccc(Nc2ncnc3nc[nH]c32)c1C ZINC000002719598 179160687 /nfs/dbraw/zinc/16/06/87/179160687.db2.gz MECSKHCJZFSJHC-UHFFFAOYSA-N 0 0 239.282 2.713 50 0 BFAARN Cc1cccc(OCC(=O)NC2CCCCC2)c1 ZINC000000038396 179162769 /nfs/dbraw/zinc/16/27/69/179162769.db2.gz PCPVQONPOOMGNS-UHFFFAOYSA-N 0 0 247.338 2.823 50 0 BFAARN Cc1cccc(OCCn2ccnc2)c1C ZINC000000433524 179170018 /nfs/dbraw/zinc/17/00/18/179170018.db2.gz VWWPZURXJNBUBW-UHFFFAOYSA-N 0 0 216.284 2.579 50 0 BFAARN COc1cc(F)cc(-c2ccnc(OC)c2)c1 ZINC000725242441 537986403 /nfs/dbraw/zinc/98/64/03/537986403.db2.gz FMTXMOUDSUEMBU-UHFFFAOYSA-N 0 0 233.242 2.905 50 0 BFAARN Cc1cccc(S[C@H]2CCCCNC2=O)c1 ZINC000049372988 179177201 /nfs/dbraw/zinc/17/72/01/179177201.db2.gz UYTJZKKDGRVAII-LBPRGKRZSA-N 0 0 235.352 2.756 50 0 BFAARN Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)[O-])c1C ZINC000237726702 179189411 /nfs/dbraw/zinc/18/94/11/179189411.db2.gz DGTHKSIUIULRJB-AWEZNQCLSA-N 0 0 247.338 2.915 50 0 BFAARN CSc1cccc(C(=O)Nc2cc(C)no2)c1 ZINC000013596878 362787965 /nfs/dbraw/zinc/78/79/65/362787965.db2.gz PGFOQCRQQNCBOO-UHFFFAOYSA-N 0 0 248.307 2.957 50 0 BFAARN Cc1cccc2[nH]nc(-c3cccnc3)c21 ZINC000065465767 179208313 /nfs/dbraw/zinc/20/83/13/179208313.db2.gz DSOYCXBYHCJRLJ-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN CSc1ccc(C=O)cc1Br ZINC000149702694 347456515 /nfs/dbraw/zinc/45/65/15/347456515.db2.gz ZFWZQTCSPIPGKP-UHFFFAOYSA-N 0 0 231.114 2.984 50 0 BFAARN Cc1nc(-c2ccccc2C)sc1C(N)=O ZINC000096024196 179238640 /nfs/dbraw/zinc/23/86/40/179238640.db2.gz LRSMZCHUYBSXQD-UHFFFAOYSA-N 0 0 232.308 2.526 50 0 BFAARN Cc1ccccc1-c1ccc(=S)[nH]n1 ZINC000061966065 179237179 /nfs/dbraw/zinc/23/71/79/179237179.db2.gz JTLUYKMESALWEN-UHFFFAOYSA-N 0 0 202.282 2.741 50 0 BFAARN Cc1ccccc1-c1ncc(C=O)s1 ZINC000019088541 179240156 /nfs/dbraw/zinc/24/01/56/179240156.db2.gz FKAXXEIMWMHQQP-UHFFFAOYSA-N 0 0 203.266 2.931 50 0 BFAARN Cc1ccccc1-n1cc(Br)cn1 ZINC000072193390 179240807 /nfs/dbraw/zinc/24/08/07/179240807.db2.gz HMULFHZEMGDGLG-UHFFFAOYSA-N 0 0 237.100 2.943 50 0 BFAARN CCCC(=O)Oc1cn(C)c2ccccc12 ZINC000001460490 168571969 /nfs/dbraw/zinc/57/19/69/168571969.db2.gz JVYIBVQFERSMOP-UHFFFAOYSA-N 0 0 217.268 2.884 50 0 BFAARN Cc1ccccc1C(=O)N(C)Cc1ccco1 ZINC000012976598 179246201 /nfs/dbraw/zinc/24/62/01/179246201.db2.gz MTMFGYHXNYWIGW-UHFFFAOYSA-N 0 0 229.279 2.860 50 0 BFAARN Cc1ccccc1-c1nnc([C@H]2CCCO2)o1 ZINC000064556857 179239212 /nfs/dbraw/zinc/23/92/12/179239212.db2.gz PVUJWFJLQKZXBS-LLVKDONJSA-N 0 0 230.267 2.897 50 0 BFAARN Cc1ccccc1C(=O)N[C@H](C)c1ccncc1 ZINC000006698911 179252769 /nfs/dbraw/zinc/25/27/69/179252769.db2.gz XAJCLTMJHGCWNA-GFCCVEGCSA-N 0 0 240.306 2.881 50 0 BFAARN Cc1nn(C(=O)c2ccccc2C)c(C)c1C ZINC000010155519 179253663 /nfs/dbraw/zinc/25/36/63/179253663.db2.gz GJCFPSMFORGIPD-UHFFFAOYSA-N 0 0 228.295 2.805 50 0 BFAARN Cc1ccccc1CC(=O)Nc1ccncc1 ZINC000017585400 179260134 /nfs/dbraw/zinc/26/01/34/179260134.db2.gz FICZWYOPHVHQOS-UHFFFAOYSA-N 0 0 226.279 2.571 50 0 BFAARN O=C(CC1CC1)N[C@H]1CCCc2c(O)cccc21 ZINC000195580108 347642214 /nfs/dbraw/zinc/64/22/14/347642214.db2.gz RNWARTVJINHLGX-ZDUSSCGKSA-N 0 0 245.322 2.686 50 0 BFAARN CCc1noc([C@@H](C)Nc2cnn(C(C)C)c2)n1 ZINC000195563516 347646516 /nfs/dbraw/zinc/64/65/16/347646516.db2.gz YPWVYRHRWAXYRR-SECBINFHSA-N 0 0 249.318 2.583 50 0 BFAARN Cc1cnc(NCc2cccc3c[nH]nc32)s1 ZINC000195562407 347646767 /nfs/dbraw/zinc/64/67/67/347646767.db2.gz JSVXDRCJBWBYJL-UHFFFAOYSA-N 0 0 244.323 2.940 50 0 BFAARN CCOCSc1nc2ccccc2o1 ZINC000195562303 347646785 /nfs/dbraw/zinc/64/67/85/347646785.db2.gz NCWRXLVCZNKIMT-UHFFFAOYSA-N 0 0 209.270 2.914 50 0 BFAARN NC(=O)N1CCCC2(CCCCC2)CC1 ZINC000195577248 347648482 /nfs/dbraw/zinc/64/84/82/347648482.db2.gz FLVGEGXUSUALEY-UHFFFAOYSA-N 0 0 210.321 2.502 50 0 BFAARN Cc1n[nH]c(C)c1[C@@H](C)c1nc(C(C)C)no1 ZINC000195578674 347648588 /nfs/dbraw/zinc/64/85/88/347648588.db2.gz QXIBARIUKMOWPV-SSDOTTSWSA-N 0 0 234.303 2.685 50 0 BFAARN Cc1occc1C(=O)NCc1ccccc1C ZINC000012978141 179280864 /nfs/dbraw/zinc/28/08/64/179280864.db2.gz UCXYHBJPODRNBT-UHFFFAOYSA-N 0 0 229.279 2.826 50 0 BFAARN Cc1ccccc1CSc1cc(N)ncn1 ZINC000087851368 179287741 /nfs/dbraw/zinc/28/77/41/179287741.db2.gz LHYNPHLRMPOCPH-UHFFFAOYSA-N 0 0 231.324 2.660 50 0 BFAARN Cc1ccccc1NC(=O)NCC(C)C ZINC000000396884 179300770 /nfs/dbraw/zinc/30/07/70/179300770.db2.gz NHDVWASHXOWTKC-UHFFFAOYSA-N 0 0 206.289 2.773 50 0 BFAARN Cc1ccccc1NCCC(=O)N1CCCCC1 ZINC000058357788 179304389 /nfs/dbraw/zinc/30/43/89/179304389.db2.gz KGJGCVSBGWXUBI-UHFFFAOYSA-N 0 0 246.354 2.810 50 0 BFAARN Cc1ccccc1NC(=O)CCn1cccc1 ZINC000020436483 179298474 /nfs/dbraw/zinc/29/84/74/179298474.db2.gz NSEHCWDFMIBUFR-UHFFFAOYSA-N 0 0 228.295 2.825 50 0 BFAARN Cc1ccccc1OC/C=C/Cn1ccnc1 ZINC000016623750 179309924 /nfs/dbraw/zinc/30/99/24/179309924.db2.gz BSPDIPGVFCBBDC-SNAWJCMRSA-N 0 0 228.295 2.827 50 0 BFAARN Cc1nccn1CCCOc1ccccc1C ZINC000192752863 179310748 /nfs/dbraw/zinc/31/07/48/179310748.db2.gz MFMDGNRMVTZYOU-UHFFFAOYSA-N 0 0 230.311 2.969 50 0 BFAARN Cc1ccccc1Oc1ncccc1NC(N)=O ZINC000095403998 179314303 /nfs/dbraw/zinc/31/43/03/179314303.db2.gz KXAVQBLDXBRONS-UHFFFAOYSA-N 0 0 243.266 2.673 50 0 BFAARN Cc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1 ZINC000009737308 179351209 /nfs/dbraw/zinc/35/12/09/179351209.db2.gz HEXRIGFWUUMZHO-CQSZACIVSA-N 0 0 238.290 2.849 50 0 BFAARN Cc1cccn2c(=O)cc(-c3ccccc3)nc12 ZINC000038891730 179353461 /nfs/dbraw/zinc/35/34/61/179353461.db2.gz WHBAXSPPKQWOJX-UHFFFAOYSA-N 0 0 236.274 2.670 50 0 BFAARN C=Cc1ccc(-n2cncn2)cc1Cl ZINC000224853261 348265124 /nfs/dbraw/zinc/26/51/24/348265124.db2.gz NZFVHOFVMRPDSJ-UHFFFAOYSA-N 0 0 205.648 2.564 50 0 BFAARN Cc1cccnc1NC(=O)C1CCCCC1 ZINC000001000139 179388956 /nfs/dbraw/zinc/38/89/56/179388956.db2.gz TYOSUPIHIDSAMA-UHFFFAOYSA-N 0 0 218.300 2.909 50 0 BFAARN Cc1cccnc1NC(=O)Cc1ccsc1 ZINC000057625683 179390627 /nfs/dbraw/zinc/39/06/27/179390627.db2.gz YTYWQKBCQSKTHS-UHFFFAOYSA-N 0 0 232.308 2.633 50 0 BFAARN Cc1ccnc(NC(=O)CCc2ccco2)c1 ZINC000012527735 179435525 /nfs/dbraw/zinc/43/55/25/179435525.db2.gz DAYZCABMKRZCOG-UHFFFAOYSA-N 0 0 230.267 2.554 50 0 BFAARN Cc1ccnc(N[C@H]2OC(=O)c3ccccc32)c1 ZINC000000100263 179462229 /nfs/dbraw/zinc/46/22/29/179462229.db2.gz NECOFFILDCZYNE-ZDUSSCGKSA-N 0 0 240.262 2.671 50 0 BFAARN Cc1ccnc(NC(=O)Nc2cccc(F)c2)n1 ZINC000006742214 179438063 /nfs/dbraw/zinc/43/80/63/179438063.db2.gz YBCKRRZAXRVOQM-UHFFFAOYSA-N 0 0 246.245 2.568 50 0 BFAARN Cc1ccnc(NC(=O)[C@H]2CC=CCC2)c1 ZINC000012536808 179439486 /nfs/dbraw/zinc/43/94/86/179439486.db2.gz PEFQYUDKMVVEEY-NSHDSACASA-N 0 0 216.284 2.685 50 0 BFAARN Cc1ccoc1C(=O)Nc1ccccc1 ZINC000000284692 179509514 /nfs/dbraw/zinc/50/95/14/179509514.db2.gz QNMLDXNBSGLHCA-UHFFFAOYSA-N 0 0 201.225 2.840 50 0 BFAARN CC(C)c1noc(CN2C[C@H](C)C[C@H](C)C2)n1 ZINC000040489568 348791355 /nfs/dbraw/zinc/79/13/55/348791355.db2.gz QNDWTSIRDGQICF-PHIMTYICSA-N 0 0 237.347 2.671 50 0 BFAARN Clc1nc2[nH]ccc2c(N2CCCCC2)n1 ZINC000115045494 348951520 /nfs/dbraw/zinc/95/15/20/348951520.db2.gz WTEVJXHVPLGUTA-UHFFFAOYSA-N 0 0 236.706 2.602 50 0 BFAARN Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000004192076 179785232 /nfs/dbraw/zinc/78/52/32/179785232.db2.gz IXEVWVGBDQWRGB-UHFFFAOYSA-N 0 0 238.337 2.694 50 0 BFAARN CC(=O)CSc1nc2ccccc2o1 ZINC000002493621 190973681 /nfs/dbraw/zinc/97/36/81/190973681.db2.gz AVEPOFNIZNWZCL-UHFFFAOYSA-N 0 0 207.254 2.509 50 0 BFAARN Cc1cc(C)nc(Nc2cccc(F)c2)n1 ZINC000001921664 362943165 /nfs/dbraw/zinc/94/31/65/362943165.db2.gz DDMXUFJOFSXJST-UHFFFAOYSA-N 0 0 217.247 2.976 50 0 BFAARN CC(=NNC(=O)c1ccc(Cl)cc1)C1CC1 ZINC000254286950 349262557 /nfs/dbraw/zinc/26/25/57/349262557.db2.gz BFAKLFYPRAVPAK-UHFFFAOYSA-N 0 0 236.702 2.856 50 0 BFAARN CCOC(=O)c1ccc(C(F)F)s1 ZINC000145982663 349344016 /nfs/dbraw/zinc/34/40/16/349344016.db2.gz LSJDWKQLHLTGGD-UHFFFAOYSA-N 0 0 206.213 2.862 50 0 BFAARN Cc1nc(C(C)(C)C)sc1C(=O)NC(C)C ZINC000061341495 179892285 /nfs/dbraw/zinc/89/22/85/179892285.db2.gz OYMCVANUPOYKIH-UHFFFAOYSA-N 0 0 240.372 2.887 50 0 BFAARN CC(C)C(NC(=O)C1CCCC1)C(C)C ZINC000072115393 191004192 /nfs/dbraw/zinc/00/41/92/191004192.db2.gz UMRHMOXHGKTNGD-UHFFFAOYSA-N 0 0 211.349 2.973 50 0 BFAARN Cc1nc(CNCc2ccccc2)cs1 ZINC000006784976 179970085 /nfs/dbraw/zinc/97/00/85/179970085.db2.gz UIKTWTXTQXMCLY-UHFFFAOYSA-N 0 0 218.325 2.741 50 0 BFAARN Cc1nc(CN[C@H](C)c2ccc(C)c(F)c2)no1 ZINC000096492256 179973753 /nfs/dbraw/zinc/97/37/53/179973753.db2.gz OAMLDNGBROMOBY-SECBINFHSA-N 0 0 249.289 2.676 50 0 BFAARN Cc1nc(CC2=NC(=O)CS2)sc1C ZINC000001395305 179985498 /nfs/dbraw/zinc/98/54/98/179985498.db2.gz WPWBPTRHRAZEBZ-UHFFFAOYSA-N 0 0 226.326 2.513 50 0 BFAARN C=CCOC(=O)OC1=CC(=O)CCC[C@H]1C ZINC000043198610 323236842 /nfs/dbraw/zinc/23/68/42/323236842.db2.gz FJEAVKQWWXNSKM-SECBINFHSA-N 0 0 224.256 2.599 50 0 BFAARN Cc1nc(NC(=O)CC(C)C)sc1C ZINC000005533784 180007028 /nfs/dbraw/zinc/00/70/28/180007028.db2.gz VHLFJTPDWNTIEJ-UHFFFAOYSA-N 0 0 212.318 2.745 50 0 BFAARN Cc1nc(NC(=O)c2ccco2)ccc1Cl ZINC000010119500 180015062 /nfs/dbraw/zinc/01/50/62/180015062.db2.gz QUUZYKYFTLEIHB-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN CC(=O)c1ccc(C(=O)OC2CCC2)cc1 ZINC000097084270 490295262 /nfs/dbraw/zinc/29/52/62/490295262.db2.gz NHNJVERCNBDBHU-UHFFFAOYSA-N 0 0 218.252 2.599 50 0 BFAARN Cc1nc(Sc2ncc(Cl)cn2)oc1C ZINC000095406774 180033268 /nfs/dbraw/zinc/03/32/68/180033268.db2.gz NTXFJWVXGBIZJP-UHFFFAOYSA-N 0 0 241.703 2.886 50 0 BFAARN C[C@@H](NO)c1cccc(C(F)(F)F)c1 ZINC000131985264 191019607 /nfs/dbraw/zinc/01/96/07/191019607.db2.gz DEMLQIXIOMGTBA-ZCFIWIBFSA-N 0 0 205.179 2.745 50 0 BFAARN Cc1nc2c(ncnc2N(CC2CC2)C(C)C)o1 ZINC000065406490 180065923 /nfs/dbraw/zinc/06/59/23/180065923.db2.gz BURADRIIIZYRQY-UHFFFAOYSA-N 0 0 246.314 2.551 50 0 BFAARN Cc1nc2c3cc(Cl)ccc3oc2c(=O)o1 ZINC000004994176 180072319 /nfs/dbraw/zinc/07/23/19/180072319.db2.gz HFJOJFSHBUITSY-UHFFFAOYSA-N 0 0 235.626 2.896 50 0 BFAARN Cc1nc2nccc(-c3ccc(Cl)cc3)n2n1 ZINC000057530905 180113851 /nfs/dbraw/zinc/11/38/51/180113851.db2.gz ZPJWVFZRDNGVSV-UHFFFAOYSA-N 0 0 244.685 2.753 50 0 BFAARN Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000005129270 180118081 /nfs/dbraw/zinc/11/80/81/180118081.db2.gz BOXCBFCOYBRNFR-UHFFFAOYSA-N 0 0 242.303 2.960 50 0 BFAARN CCCCC(=O)NC(=O)N[C@H](C)c1ccccc1 ZINC000002224556 168617952 /nfs/dbraw/zinc/61/79/52/168617952.db2.gz LHMDLHSWMVYZJG-LLVKDONJSA-N 0 0 248.326 2.764 50 0 BFAARN Cc1cc(C(=O)N[C@@H](C)C2CC2)c(C)s1 ZINC000032748168 350207929 /nfs/dbraw/zinc/20/79/29/350207929.db2.gz MDGJKILQSKUKMZ-QMMMGPOBSA-N 0 0 223.341 2.893 50 0 BFAARN Cc1nccc(-c2coc3ccccc3c2=O)n1 ZINC000032573241 180179626 /nfs/dbraw/zinc/17/96/26/180179626.db2.gz LVLQGTJMBUNTTN-UHFFFAOYSA-N 0 0 238.246 2.558 50 0 BFAARN Cc1ncccc1NC(=O)c1ccc(Cl)cn1 ZINC000073347993 180225818 /nfs/dbraw/zinc/22/58/18/180225818.db2.gz KWLAHZWNZBULOB-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1nccn1-c1nc(Cl)nc2ccccc21 ZINC000011756770 180231379 /nfs/dbraw/zinc/23/13/79/180231379.db2.gz QTZLTQIKRQXNOD-UHFFFAOYSA-N 0 0 244.685 2.777 50 0 BFAARN Cc1nccn1CCCCC(F)(F)F ZINC000095990953 180232325 /nfs/dbraw/zinc/23/23/25/180232325.db2.gz FSMATJNFGIYWOQ-UHFFFAOYSA-N 0 0 206.211 2.924 50 0 BFAARN Cc1ccsc1CNC(=O)c1ccco1 ZINC000025678432 350256854 /nfs/dbraw/zinc/25/68/54/350256854.db2.gz CVDQROXFTFVYCP-UHFFFAOYSA-N 0 0 221.281 2.580 50 0 BFAARN Cc1nccn1CCc1ccccc1F ZINC000278145229 180263319 /nfs/dbraw/zinc/26/33/19/180263319.db2.gz NLLCHIAVYCWGPZ-UHFFFAOYSA-N 0 0 204.248 2.573 50 0 BFAARN Cc1ncnc2ccc(Br)cc12 ZINC000071621253 180290684 /nfs/dbraw/zinc/29/06/84/180290684.db2.gz AQONPSNFIBNMQX-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN COc1ccc(-c2cccc(SC)n2)cn1 ZINC000426551934 191097135 /nfs/dbraw/zinc/09/71/35/191097135.db2.gz DNTMPYFNNXAONZ-UHFFFAOYSA-N 0 0 232.308 2.874 50 0 BFAARN Cc1ncsc1C(=O)OCc1ccccc1 ZINC000071817214 180307146 /nfs/dbraw/zinc/30/71/46/180307146.db2.gz PSYXAOFEMDFWII-UHFFFAOYSA-N 0 0 233.292 2.809 50 0 BFAARN CCOc1c(Cl)cc(N)c(O)c1Cl ZINC000000392382 350332351 /nfs/dbraw/zinc/33/23/51/350332351.db2.gz FEWGMSLAFHTDCH-UHFFFAOYSA-N 0 0 222.071 2.680 50 0 BFAARN COc1cccc(NC(=O)CC(F)(F)F)c1 ZINC000040490316 350370116 /nfs/dbraw/zinc/37/01/16/350370116.db2.gz LKLKJDYOFNLVLN-UHFFFAOYSA-N 0 0 233.189 2.586 50 0 BFAARN CC(C)(C)CNC(=O)c1ccc(Cl)c(N)c1 ZINC000040494401 350370735 /nfs/dbraw/zinc/37/07/35/350370735.db2.gz VYUALZYOEHNFNJ-UHFFFAOYSA-N 0 0 240.734 2.698 50 0 BFAARN Cc1nn(-c2ccccc2)c(=O)c2ccccc12 ZINC000000051544 180328537 /nfs/dbraw/zinc/32/85/37/180328537.db2.gz GUVJWGAVZJXYTJ-UHFFFAOYSA-N 0 0 236.274 2.694 50 0 BFAARN COc1cc(C)cc(OC)c1-c1ccncc1N ZINC000426535945 191097883 /nfs/dbraw/zinc/09/78/83/191097883.db2.gz UNTMOGJXHKYKNE-UHFFFAOYSA-N 0 0 244.294 2.656 50 0 BFAARN Cc1nn(-c2ccccc2)c(N)c1C(F)(F)F ZINC000047843901 180330981 /nfs/dbraw/zinc/33/09/81/180330981.db2.gz CSVIXJGTGACZFH-UHFFFAOYSA-N 0 0 241.216 2.782 50 0 BFAARN Cc1nn(C)c(Cl)c1[C@@H](O)c1cccs1 ZINC000071773288 180351343 /nfs/dbraw/zinc/35/13/43/180351343.db2.gz RZHKWYBMOSTAQU-VIFPVBQESA-N 0 0 242.731 2.525 50 0 BFAARN CC(C)C(=O)N(C)[C@H](C)c1cccs1 ZINC000032841962 350433009 /nfs/dbraw/zinc/43/30/09/350433009.db2.gz SQRWCPRNJRZYQC-SECBINFHSA-N 0 0 211.330 2.924 50 0 BFAARN NN=c1[nH]c2cc(Cl)cc(Cl)c2s1 ZINC000014985051 350473968 /nfs/dbraw/zinc/47/39/68/350473968.db2.gz YPYACRDIWJRCJO-UHFFFAOYSA-N 0 0 234.111 2.889 50 0 BFAARN Cc1nnc(-c2ccccc2-c2cc[nH]n2)s1 ZINC000020601359 180395990 /nfs/dbraw/zinc/39/59/90/180395990.db2.gz QRWYCECJXYOHHW-UHFFFAOYSA-N 0 0 242.307 2.904 50 0 BFAARN CCCCC(=O)c1ccc2c(c1)OCCO2 ZINC000015081226 168630691 /nfs/dbraw/zinc/63/06/91/168630691.db2.gz RZQOAKAMCIPWEC-UHFFFAOYSA-N 0 0 220.268 2.831 50 0 BFAARN CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000000270896 191108332 /nfs/dbraw/zinc/10/83/32/191108332.db2.gz QZOHGDLDPVPDRK-UHFFFAOYSA-N 0 0 217.312 2.635 50 0 BFAARN C[C@H]1CCC[C@@H](OCC(=O)N2CCCCC2)C1 ZINC000089927340 362963584 /nfs/dbraw/zinc/96/35/84/362963584.db2.gz AMKNCCICPVHDHK-QWHCGFSZSA-N 0 0 239.359 2.594 50 0 BFAARN CC(=O)Nc1cc(Cl)ccc1C(C)(C)O ZINC000230509858 350603702 /nfs/dbraw/zinc/60/37/02/350603702.db2.gz JZXCYJAKONPBLI-UHFFFAOYSA-N 0 0 227.691 2.526 50 0 BFAARN CC1N=NC(=S)N1c1cccc(Cl)c1 ZINC000006534004 180437993 /nfs/dbraw/zinc/43/79/93/180437993.db2.gz UBQLDJNFYUHKTK-UHFFFAOYSA-N 0 0 225.704 2.518 50 0 BFAARN Cc1nnc(Nc2cccc(F)c2)s1 ZINC000000088862 180438158 /nfs/dbraw/zinc/43/81/58/180438158.db2.gz YJCLSQDDYPKKDX-UHFFFAOYSA-N 0 0 209.249 2.729 50 0 BFAARN CCCCCC(=O)Nc1ccc(C(=O)NC)cc1 ZINC000016016089 168642557 /nfs/dbraw/zinc/64/25/57/168642557.db2.gz DCVOUBULACDHHS-UHFFFAOYSA-N 0 0 248.326 2.565 50 0 BFAARN O=C([O-])C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000095960013 350666458 /nfs/dbraw/zinc/66/64/58/350666458.db2.gz UBGKSUZGRGMOIL-NSHDSACASA-N 0 0 239.702 2.562 50 0 BFAARN CCCCCCC(=O)Nc1nnc(C)s1 ZINC000003045100 168646245 /nfs/dbraw/zinc/64/62/45/168646245.db2.gz NTULTURKUXGCRS-UHFFFAOYSA-N 0 0 227.333 2.755 50 0 BFAARN Cc1nsc(N[C@H]2CCc3ccccc32)n1 ZINC000089721462 180524189 /nfs/dbraw/zinc/52/41/89/180524189.db2.gz DPAFQOCLSULAPZ-NSHDSACASA-N 0 0 231.324 2.946 50 0 BFAARN CS[C@H](CNC(=O)c1ccco1)C(C)(C)C ZINC000343429772 350969514 /nfs/dbraw/zinc/96/95/14/350969514.db2.gz FWCLDKQFINLSAC-SNVBAGLBSA-N 0 0 241.356 2.787 50 0 BFAARN O=C(c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000001056128 350993008 /nfs/dbraw/zinc/99/30/08/350993008.db2.gz WPZYHLRFUZLONC-UHFFFAOYSA-N 0 0 243.228 2.941 50 0 BFAARN Clc1cccc(Cl)c1CC1OCCO1 ZINC000002529056 180590442 /nfs/dbraw/zinc/59/04/42/180590442.db2.gz NVJNYQVIHYPKNC-UHFFFAOYSA-N 0 0 233.094 2.909 50 0 BFAARN CS[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000031674103 351495287 /nfs/dbraw/zinc/49/52/87/351495287.db2.gz CYAMREBAUKRYEM-SECBINFHSA-N 0 0 237.324 2.579 50 0 BFAARN Clc1cccnc1SC[C@H]1CCOCO1 ZINC000069738084 180596920 /nfs/dbraw/zinc/59/69/20/180596920.db2.gz PMVBHOBDHOMZRV-MRVPVSSYSA-N 0 0 245.731 2.590 50 0 BFAARN Clc1cncc(CCc2ccccc2)n1 ZINC000238559660 180599450 /nfs/dbraw/zinc/59/94/50/180599450.db2.gz JUKALDDWPRVIJP-UHFFFAOYSA-N 0 0 218.687 2.915 50 0 BFAARN COc1c2ccoc2cc2oc(=O)ccc21 ZINC000000057731 363044603 /nfs/dbraw/zinc/04/46/03/363044603.db2.gz BGEBZHIAGXMEMV-UHFFFAOYSA-N 0 0 216.192 2.548 50 0 endogenous,world BFAARN CCCC(=O)Oc1ccc(C=O)cc1OCC ZINC000000107257 363047218 /nfs/dbraw/zinc/04/72/18/363047218.db2.gz DKLNBKQWFAIPCG-UHFFFAOYSA-N 0 0 236.267 2.603 50 0 BFAARN Clc1cccn2c(-c3nccs3)nnc12 ZINC000032565330 180595691 /nfs/dbraw/zinc/59/56/91/180595691.db2.gz YUXUNIUHKXMOLB-UHFFFAOYSA-N 0 0 236.687 2.506 50 0 BFAARN Cc1sc(N)nc1-c1ccccc1F ZINC000041656332 351540977 /nfs/dbraw/zinc/54/09/77/351540977.db2.gz CEFRPXMSXURODK-UHFFFAOYSA-N 0 0 208.261 2.840 50 0 BFAARN Cc1ccc(NC(=O)c2ccco2)cc1O ZINC000000364435 363051804 /nfs/dbraw/zinc/05/18/04/363051804.db2.gz DIPYUCDKLWIPQH-UHFFFAOYSA-N 0 0 217.224 2.546 50 0 BFAARN CCCCS(=O)(=O)Nc1ccc(CC)cc1 ZINC000006706437 363098233 /nfs/dbraw/zinc/09/82/33/363098233.db2.gz IIBSLUSLOFXLDN-UHFFFAOYSA-N 0 0 241.356 2.791 50 0 BFAARN O=C(CCc1ccc(F)cc1)Nc1ccccn1 ZINC000012537616 351998852 /nfs/dbraw/zinc/99/88/52/351998852.db2.gz MYBJPBGRYGPLEG-UHFFFAOYSA-N 0 0 244.269 2.792 50 0 BFAARN COc1ccc(Nc2cccccc2=O)cc1 ZINC000000301743 187583062 /nfs/dbraw/zinc/58/30/62/187583062.db2.gz BSTMKBHGUSVLCI-UHFFFAOYSA-N 0 0 227.263 2.799 50 0 BFAARN O=C1C(c2ccccc2)=NOC12CCCCC2 ZINC000000349518 187583285 /nfs/dbraw/zinc/58/32/85/187583285.db2.gz JSDXLOUCXMVSQJ-UHFFFAOYSA-N 0 0 229.279 2.693 50 0 BFAARN CC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1C ZINC000003132128 187584780 /nfs/dbraw/zinc/58/47/80/187584780.db2.gz MRKQVVVVXFEYDX-VIFPVBQESA-N 0 0 228.295 2.634 50 0 BFAARN COc1ccc(Cc2ccccc2CO)cc1 ZINC000038763964 187600234 /nfs/dbraw/zinc/60/02/34/187600234.db2.gz NZMIPKKFRYUZNK-UHFFFAOYSA-N 0 0 228.291 2.778 50 0 BFAARN C/C=C/C=C/C(=O)N[C@@H]1CCOc2ccccc21 ZINC000039976126 187601654 /nfs/dbraw/zinc/60/16/54/187601654.db2.gz MCWCQEWWDGHTRI-OQFUDAMXSA-N 0 0 243.306 2.759 50 0 BFAARN CN(C)c1ncc(C(F)(F)F)cc1Cl ZINC000042783523 187604605 /nfs/dbraw/zinc/60/46/05/187604605.db2.gz RXUQWDZDFAFXSS-UHFFFAOYSA-N 0 0 224.613 2.820 50 0 BFAARN CC(C)(C)c1[nH]c2ncccc2c1C=O ZINC000025336326 187592153 /nfs/dbraw/zinc/59/21/53/187592153.db2.gz VLMGRJVCDFFENX-UHFFFAOYSA-N 0 0 202.257 2.673 50 0 BFAARN Cc1ccc(OCc2noc(C(C)(C)C)n2)nc1 ZINC000076019712 187618302 /nfs/dbraw/zinc/61/83/02/187618302.db2.gz YVLCXIXPPNWKHJ-UHFFFAOYSA-N 0 0 247.298 2.650 50 0 BFAARN CC(=O)N1CCC(Cc2cccs2)CC1 ZINC000040621552 187620206 /nfs/dbraw/zinc/62/02/06/187620206.db2.gz SHPFVIGCVIZMLO-UHFFFAOYSA-N 0 0 223.341 2.549 50 0 BFAARN CCCCC(=O)Nc1ccc(O)cc1C ZINC000004666479 363147237 /nfs/dbraw/zinc/14/72/37/363147237.db2.gz HFGXUSCIYHJMHQ-UHFFFAOYSA-N 0 0 207.273 2.829 50 0 BFAARN CN(CC(=O)Nc1ccccc1)c1ccccc1 ZINC000007589612 363154770 /nfs/dbraw/zinc/15/47/70/363154770.db2.gz BDTMMJRMVOUTJM-UHFFFAOYSA-N 0 0 240.306 2.762 50 0 BFAARN COc1cncc(-c2cccc(O)c2F)c1 ZINC000725270717 538102496 /nfs/dbraw/zinc/10/24/96/538102496.db2.gz QPMQOAGQPBRHMZ-UHFFFAOYSA-N 0 0 219.215 2.602 50 0 BFAARN COc1ccc(C)nc1NC(=O)C[C@@H]1C=CCC1 ZINC000096445661 187673836 /nfs/dbraw/zinc/67/38/36/187673836.db2.gz XRSWDBNAODVZQX-LLVKDONJSA-N 0 0 246.310 2.693 50 0 BFAARN CC(=O)c1cnc(C(F)(F)F)cc1C ZINC000299803972 187701817 /nfs/dbraw/zinc/70/18/17/187701817.db2.gz NXSDUAOGHRIINY-UHFFFAOYSA-N 0 0 203.163 2.611 50 0 BFAARN Cc1ccc(C(=O)N2CCc3sccc3C2)o1 ZINC000044894697 352485014 /nfs/dbraw/zinc/48/50/14/352485014.db2.gz GLGIHVIDPHVRRT-UHFFFAOYSA-N 0 0 247.319 2.848 50 0 BFAARN Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)on1 ZINC000045082186 352564362 /nfs/dbraw/zinc/56/43/62/352564362.db2.gz YSMXNWHZMCBZDH-KOLCDFICSA-N 0 0 236.315 2.634 50 0 BFAARN Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)on1 ZINC000045082184 352564580 /nfs/dbraw/zinc/56/45/80/352564580.db2.gz YSMXNWHZMCBZDH-MWLCHTKSSA-N 0 0 236.315 2.634 50 0 BFAARN Cn1cncc1CNc1ccc(F)c(Cl)c1 ZINC000075877601 180788330 /nfs/dbraw/zinc/78/83/30/180788330.db2.gz XPPHWVPXYWOUGL-UHFFFAOYSA-N 0 0 239.681 2.825 50 0 BFAARN CC(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000006774984 187930664 /nfs/dbraw/zinc/93/06/64/187930664.db2.gz OSWFARDZPUJDCE-UHFFFAOYSA-N 0 0 218.256 2.910 50 0 BFAARN CCC(=O)NC(=S)Nc1cccc(C)c1C ZINC000000359659 187924486 /nfs/dbraw/zinc/92/44/86/187924486.db2.gz MHGWAZHLWDFWRV-UHFFFAOYSA-N 0 0 236.340 2.526 50 0 BFAARN CCn1ncc(NC(=O)c2ccccc2F)c1C ZINC000002796440 187927095 /nfs/dbraw/zinc/92/70/95/187927095.db2.gz PBGMGCCRWGPBNH-UHFFFAOYSA-N 0 0 247.273 2.603 50 0 BFAARN Cc1cc2sc(N)nc2c(Br)c1 ZINC000003676498 187927709 /nfs/dbraw/zinc/92/77/09/187927709.db2.gz PBKFYZMSNJCLOA-UHFFFAOYSA-N 0 0 243.129 2.949 50 0 BFAARN Cc1cc(C)n(Cc2ccc(Cl)nc2)n1 ZINC000004089497 187927714 /nfs/dbraw/zinc/92/77/14/187927714.db2.gz BRBWPBUHWRCSJS-UHFFFAOYSA-N 0 0 221.691 2.597 50 0 BFAARN CCCC(=O)N(CC)CCc1ccccc1 ZINC000045465826 353028598 /nfs/dbraw/zinc/02/85/98/353028598.db2.gz NRMXBIXJYANGKX-UHFFFAOYSA-N 0 0 219.328 2.878 50 0 BFAARN Cc1ccc2nc(-c3ccncc3)oc(=O)c2c1 ZINC000015922197 187933708 /nfs/dbraw/zinc/93/37/08/187933708.db2.gz BERUJTJQUXPEDO-UHFFFAOYSA-N 0 0 238.246 2.558 50 0 BFAARN Clc1ccc(Br)c2c[nH]nc21 ZINC000089196538 187958548 /nfs/dbraw/zinc/95/85/48/187958548.db2.gz JSAJRYOENRFNFQ-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN CC(C)(C)n1[nH]c2ccc(Cl)cc2c1=O ZINC000067341858 187959020 /nfs/dbraw/zinc/95/90/20/187959020.db2.gz RVGZOKDYHXIBBK-UHFFFAOYSA-N 0 0 224.691 2.738 50 0 BFAARN CC(=O)Oc1c2c(cc3c1CCC3)CCC2 ZINC000032220105 188011586 /nfs/dbraw/zinc/01/15/86/188011586.db2.gz QVLSWJJACSBBCC-UHFFFAOYSA-N 0 0 216.280 2.589 50 0 BFAARN C/C(=C/C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096430453 188016674 /nfs/dbraw/zinc/01/66/74/188016674.db2.gz JRCVCLRUMWCQAP-ALCCZGGFSA-N 0 0 229.201 2.594 50 0 BFAARN CC(C)=CCN(CC(N)=O)[C@H](C)c1ccccc1 ZINC000123847592 188017041 /nfs/dbraw/zinc/01/70/41/188017041.db2.gz MNPFQNRUNZWVSH-CYBMUJFWSA-N 0 0 246.354 2.501 50 0 BFAARN C/C(=C\C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000098013855 188018618 /nfs/dbraw/zinc/01/86/18/188018618.db2.gz JRCVCLRUMWCQAP-FNORWQNLSA-N 0 0 229.201 2.594 50 0 BFAARN CC(=O)OC(C)(C)CCc1ccccc1 ZINC000000410082 188030856 /nfs/dbraw/zinc/03/08/56/188030856.db2.gz ZXFNOEJFYLQUSB-UHFFFAOYSA-N 0 0 206.285 2.961 50 0 endogenous,in-man BFAARN FC(F)(F)[C@H]1CCC[C@@H](C(F)(F)F)N1 ZINC000079387514 180889412 /nfs/dbraw/zinc/88/94/12/180889412.db2.gz APPHZZVNZFLFTE-SYDPRGILSA-N 0 0 221.144 2.622 50 0 BFAARN CCCCCNC(=O)c1cccc(C)c1 ZINC000001670469 168714241 /nfs/dbraw/zinc/71/42/41/168714241.db2.gz DQFOMLXSBIEIBP-UHFFFAOYSA-N 0 0 205.301 2.915 50 0 BFAARN FC1(F)Oc2ccc(Br)cc2O1 ZINC000002560117 180919841 /nfs/dbraw/zinc/91/98/41/180919841.db2.gz SZRHWHHXVXSGMT-UHFFFAOYSA-N 0 0 236.999 2.771 50 0 BFAARN CC(=O)Cc1ccc(Br)cc1 ZINC000000157218 188272289 /nfs/dbraw/zinc/27/22/89/188272289.db2.gz CFMMTXJMIJRUSH-UHFFFAOYSA-N 0 0 213.074 2.581 50 0 BFAARN COc1ccc(C[NH+]2CCCCC2)c(OC)c1C ZINC000000277768 188272446 /nfs/dbraw/zinc/27/24/46/188272446.db2.gz OERUJNBCSZUTOF-UHFFFAOYSA-N 0 0 249.354 2.998 50 0 BFAARN Cn1nc(-c2ccc(C(C)(C)C)cc2)cc1N ZINC000000165712 188272477 /nfs/dbraw/zinc/27/24/77/188272477.db2.gz IFLSIEYNHCORPD-UHFFFAOYSA-N 0 0 229.327 2.967 50 0 BFAARN OCc1ccccc1Sc1ccccc1CO ZINC000000134475 188272495 /nfs/dbraw/zinc/27/24/95/188272495.db2.gz JTBORKYQQJPTIO-UHFFFAOYSA-N 0 0 246.331 2.822 50 0 BFAARN Cc1ccc(N)c(C(=O)c2ccccc2)c1 ZINC000000261972 188272792 /nfs/dbraw/zinc/27/27/92/188272792.db2.gz MZPDVYDLHYUTQS-UHFFFAOYSA-N 0 0 211.264 2.808 50 0 BFAARN C/C(=C/C(=O)OCc1ccccc1)N1CCCC1 ZINC000001400849 188272911 /nfs/dbraw/zinc/27/29/11/188272911.db2.gz LTYWVCMTDSNMKS-QBFSEMIESA-N 0 0 245.322 2.729 50 0 BFAARN Cc1ccc(C(=O)c2ccccc2N)cc1 ZINC000000394655 188273344 /nfs/dbraw/zinc/27/33/44/188273344.db2.gz RMMJUQSANCPTMV-UHFFFAOYSA-N 0 0 211.264 2.808 50 0 BFAARN CCN(CC)c1ccc(C(=O)NCC(C)C)cc1 ZINC000001097938 188273707 /nfs/dbraw/zinc/27/37/07/188273707.db2.gz MXXXAWQHSKXSEC-UHFFFAOYSA-N 0 0 248.370 2.919 50 0 BFAARN Cc1ccc(OCCc2csc(N)n2)cc1 ZINC000002455982 188274982 /nfs/dbraw/zinc/27/49/82/188274982.db2.gz ZTHKWCQRDBYRIB-UHFFFAOYSA-N 0 0 234.324 2.655 50 0 BFAARN Nc1cc(-c2ccccc2C(F)(F)F)no1 ZINC000003715898 188275248 /nfs/dbraw/zinc/27/52/48/188275248.db2.gz LZKUQQJFMRSXPU-UHFFFAOYSA-N 0 0 228.173 2.943 50 0 BFAARN CC(=O)[C@@H](C)Sc1nc2ccccc2o1 ZINC000035183485 188275701 /nfs/dbraw/zinc/27/57/01/188275701.db2.gz BOQPHDDEDPKYJY-MRVPVSSYSA-N 0 0 221.281 2.897 50 0 BFAARN Cc1cc(Br)c(Cl)cc1N ZINC000004290727 188276187 /nfs/dbraw/zinc/27/61/87/188276187.db2.gz VMYZAFFWRFOHME-UHFFFAOYSA-N 0 0 220.497 2.993 50 0 BFAARN NC(=S)c1ccc(OCc2ccccc2)cc1 ZINC000005592439 188277237 /nfs/dbraw/zinc/27/72/37/188277237.db2.gz ZKFQPUSTRDXEAA-UHFFFAOYSA-N 0 0 243.331 2.900 50 0 BFAARN C/C=C(\C)C(=O)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000005494765 188277698 /nfs/dbraw/zinc/27/76/98/188277698.db2.gz LDIIPTCOJPBEGB-QNDISFKXSA-N 0 0 245.278 2.673 50 0 BFAARN Cc1cccc(NC(=S)Nc2ccn(C)n2)c1 ZINC000010847143 188278883 /nfs/dbraw/zinc/27/88/83/188278883.db2.gz MPPCJKGYFYKECA-UHFFFAOYSA-N 0 0 246.339 2.537 50 0 BFAARN C[C@H](O)c1ccc(F)c(Br)c1 ZINC000012506517 188279427 /nfs/dbraw/zinc/27/94/27/188279427.db2.gz TWIOVUXOLMANJU-YFKPBYRVSA-N 0 0 219.053 2.642 50 0 BFAARN C[C@H](NC(=O)C1CCC1)c1cccs1 ZINC000012890388 188279794 /nfs/dbraw/zinc/27/97/94/188279794.db2.gz NDLAENYFCCFFRT-QMMMGPOBSA-N 0 0 209.314 2.725 50 0 BFAARN C[C@H](Cc1cccs1)NC(=O)C(C)(C)C ZINC000038935403 188282887 /nfs/dbraw/zinc/28/28/87/188282887.db2.gz PXAUAWQMELQNEM-SECBINFHSA-N 0 0 225.357 2.841 50 0 BFAARN CC(C)Cn1nccc1NC(=O)c1ccsc1 ZINC000028099007 188283795 /nfs/dbraw/zinc/28/37/95/188283795.db2.gz KNNGTJGVOAUJLE-UHFFFAOYSA-N 0 0 249.339 2.853 50 0 BFAARN C[C@H](NC(=O)C1CCCC1)c1ccco1 ZINC000032739446 188284277 /nfs/dbraw/zinc/28/42/77/188284277.db2.gz UMAIMZSZFNAMTR-VIFPVBQESA-N 0 0 207.273 2.647 50 0 BFAARN CC(C)(C)c1nnc(NCc2ccccc2)o1 ZINC000035077395 188284653 /nfs/dbraw/zinc/28/46/53/188284653.db2.gz WJOYQXWIPFHLOK-UHFFFAOYSA-N 0 0 231.299 2.979 50 0 BFAARN COCc1ccc(Br)c(F)c1 ZINC000044830808 188297089 /nfs/dbraw/zinc/29/70/89/188297089.db2.gz FCRIACNFIULRHL-UHFFFAOYSA-N 0 0 219.053 2.735 50 0 BFAARN CC(C)=CC(=O)NCc1ccc(Cl)cc1 ZINC000046465125 188297815 /nfs/dbraw/zinc/29/78/15/188297815.db2.gz ULQJTYGWIQXFMV-UHFFFAOYSA-N 0 0 223.703 2.922 50 0 BFAARN Cc1ccnc(C(=O)c2ccccc2C)c1 ZINC000045028591 188298034 /nfs/dbraw/zinc/29/80/34/188298034.db2.gz VZBYXBQZFAXHPE-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN N#CNc1nccc(-c2ccc(Cl)cc2)n1 ZINC000071384942 188305713 /nfs/dbraw/zinc/30/57/13/188305713.db2.gz OHRRFGMWGWWUQP-UHFFFAOYSA-N 0 0 230.658 2.690 50 0 BFAARN CC(C)C[C@@H]1CC(=O)N1C(=O)OC(C)(C)C ZINC000072481919 188306597 /nfs/dbraw/zinc/30/65/97/188306597.db2.gz CIDQRDIGTWFLKG-SECBINFHSA-N 0 0 227.304 2.569 50 0 BFAARN CC(C)C[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000073187766 188306993 /nfs/dbraw/zinc/30/69/93/188306993.db2.gz BZHOSGCMZBJWTA-NSHDSACASA-N 0 0 220.316 2.523 50 0 BFAARN CC(C)N(C(=O)[C@H]1C[C@@H]1c1cccnc1)C1CC1 ZINC000095957234 188321819 /nfs/dbraw/zinc/32/18/19/188321819.db2.gz GBCHQCSAPQYIKD-KGLIPLIRSA-N 0 0 244.338 2.585 50 0 BFAARN O=C(OCc1c(F)cccc1F)c1ccncc1 ZINC000097049138 188322118 /nfs/dbraw/zinc/32/21/18/188322118.db2.gz HFORUKSWLKMFOX-UHFFFAOYSA-N 0 0 249.216 2.717 50 0 BFAARN CC(C)=CC(=O)NCCCc1ccccc1 ZINC000041589679 188323171 /nfs/dbraw/zinc/32/31/71/188323171.db2.gz RPYYJVNVEDQMFV-UHFFFAOYSA-N 0 0 217.312 2.702 50 0 BFAARN CC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000095215246 188318880 /nfs/dbraw/zinc/31/88/80/188318880.db2.gz PXOCBLMTJDGHKK-GHMZBOCLSA-N 0 0 241.331 2.659 50 0 BFAARN Cc1ccc(CNC(=O)Nc2c(C)noc2C)o1 ZINC000095513114 188319662 /nfs/dbraw/zinc/31/96/62/188319662.db2.gz WBIDUWUFJKSNNX-UHFFFAOYSA-N 0 0 249.270 2.515 50 0 BFAARN Cc1nc(N)sc1-c1ccnc(C(C)C)n1 ZINC000095629747 188320530 /nfs/dbraw/zinc/32/05/30/188320530.db2.gz GTOWEFWMMZIDFL-UHFFFAOYSA-N 0 0 234.328 2.614 50 0 BFAARN C=CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000109418 188334134 /nfs/dbraw/zinc/33/41/34/188334134.db2.gz WPRULEHIAACULX-UHFFFAOYSA-N 0 0 231.173 2.710 50 0 BFAARN O=C1NC(=O)C(=Cc2ccc(Cl)cc2)S1 ZINC000001235942 188334481 /nfs/dbraw/zinc/33/44/81/188334481.db2.gz OTTGINRZTJUWBT-VMPITWQZSA-N 0 0 239.683 2.664 50 0 BFAARN CC(=O)N(c1ccccc1)C1CCCC1 ZINC000000345676 188334573 /nfs/dbraw/zinc/33/45/73/188334573.db2.gz WGILZKIHXBAKTD-UHFFFAOYSA-N 0 0 203.285 2.982 50 0 BFAARN Cc1cc(C)c(S(=O)(=O)C(C)C)c(Cl)n1 ZINC000001392045 188334656 /nfs/dbraw/zinc/33/46/56/188334656.db2.gz LWQTWFLOHNJOQG-UHFFFAOYSA-N 0 0 247.747 2.534 50 0 BFAARN Fc1ncc(OC(F)F)cc1Br ZINC000263623286 188370985 /nfs/dbraw/zinc/37/09/85/188370985.db2.gz GFPGQMURQSVJJY-UHFFFAOYSA-N 0 0 241.994 2.585 50 0 BFAARN Fc1ccc(CNc2ncncc2Cl)cc1 ZINC000097103439 180970605 /nfs/dbraw/zinc/97/06/05/180970605.db2.gz GCLFYBOGWFLSAA-UHFFFAOYSA-N 0 0 237.665 2.881 50 0 BFAARN Fc1ccc2c(c1)CC[C@H]2Nc1cnccn1 ZINC000301099256 180987206 /nfs/dbraw/zinc/98/72/06/180987206.db2.gz NYQBSENXLGNPDM-GFCCVEGCSA-N 0 0 229.258 2.715 50 0 BFAARN Fc1cccc(Cc2nsc(Cl)n2)c1 ZINC000047218908 180999272 /nfs/dbraw/zinc/99/92/72/180999272.db2.gz DOXHLJICKRGFIT-UHFFFAOYSA-N 0 0 228.679 2.921 50 0 BFAARN Fc1cccc(-c2nc(-c3ccncc3)no2)c1 ZINC000001423375 353696705 /nfs/dbraw/zinc/69/67/05/353696705.db2.gz ANHSLANDHCMYPW-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN Fc1cccc(F)c1CN1CCCCC1 ZINC000000138525 181000517 /nfs/dbraw/zinc/00/05/17/181000517.db2.gz OCINSQFYCYSWDE-UHFFFAOYSA-N 0 0 211.255 2.951 50 0 BFAARN Fc1ccccc1CNc1ncc[nH]c1=S ZINC000045918649 181013617 /nfs/dbraw/zinc/01/36/17/181013617.db2.gz DQLOKTFJWOZLBD-UHFFFAOYSA-N 0 0 235.287 2.517 50 0 BFAARN Fc1ccccc1NCc1cscn1 ZINC000040420093 181014407 /nfs/dbraw/zinc/01/44/07/181014407.db2.gz NFNJBEZWCWCGAS-UHFFFAOYSA-N 0 0 208.261 2.894 50 0 BFAARN Fc1ccccc1-c1nnc(C2CC2)o1 ZINC000064556903 181009299 /nfs/dbraw/zinc/00/92/99/181009299.db2.gz KBABDOJOYMXXNM-UHFFFAOYSA-N 0 0 204.204 2.753 50 0 BFAARN Fc1ccccc1-c1noc(N2CCCCC2)n1 ZINC000021630102 181010649 /nfs/dbraw/zinc/01/06/49/181010649.db2.gz JIPKAHZCGAYJSL-UHFFFAOYSA-N 0 0 247.273 2.866 50 0 BFAARN Fc1cnc(Cl)nc1N1CCc2ccccc21 ZINC000004708054 181017308 /nfs/dbraw/zinc/01/73/08/181017308.db2.gz SUIUQTRXVIYCCC-UHFFFAOYSA-N 0 0 249.676 2.963 50 0 BFAARN COCc1ccccc1NC(=O)C1CCCC1 ZINC000046932769 353871816 /nfs/dbraw/zinc/87/18/16/353871816.db2.gz KPSLLXIVNNEDIU-UHFFFAOYSA-N 0 0 233.311 2.962 50 0 BFAARN COC(=O)CCSc1ccc(Cl)cc1 ZINC000000396243 363292528 /nfs/dbraw/zinc/29/25/28/363292528.db2.gz DAMGUOXWBLUJSL-UHFFFAOYSA-N 0 0 230.716 2.995 50 0 BFAARN CCN(CC)C(=O)[C@@H]1Cc2ccccc2S1 ZINC000032876671 354555515 /nfs/dbraw/zinc/55/55/15/354555515.db2.gz CWZMRCWDTQDJCD-LBPRGKRZSA-N 0 0 235.352 2.572 50 0 BFAARN Cc1ccc2nc(C)c(C(=O)N(C)C)cc2c1 ZINC000032854885 354555603 /nfs/dbraw/zinc/55/56/03/354555603.db2.gz BQQXSZWKZGMVOX-UHFFFAOYSA-N 0 0 228.295 2.553 50 0 BFAARN Cc1ccc(NC(=O)c2cccn2C)c(C)c1 ZINC000032975892 354594352 /nfs/dbraw/zinc/59/43/52/354594352.db2.gz XGYIQHRBQCIFOI-UHFFFAOYSA-N 0 0 228.295 2.894 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCc2ccccc21 ZINC000248497434 355214790 /nfs/dbraw/zinc/21/47/90/355214790.db2.gz KVIKCPVEKZRVPX-KYOSRNDESA-N 0 0 243.350 2.879 50 0 BFAARN CCCCC[C@@H]1[C@H](O)CC[C@@H]1CC(=O)OC ZINC000012491141 168741824 /nfs/dbraw/zinc/74/18/24/168741824.db2.gz DZWZEZICFCEJOT-GRYCIOLGSA-N 0 0 228.332 2.517 50 0 biogenic BFAARN CC(C)c1cccc(OCC(=O)N2CCCC2)c1 ZINC000047209241 355366242 /nfs/dbraw/zinc/36/62/42/355366242.db2.gz JOYFBPYPQZFLGP-UHFFFAOYSA-N 0 0 247.338 2.811 50 0 BFAARN CCCC[C@H](C)c1nc(-c2ncccn2)no1 ZINC000252500491 363451189 /nfs/dbraw/zinc/45/11/89/363451189.db2.gz SWSUONDYMNEXRY-VIFPVBQESA-N 0 0 232.287 2.820 50 0 BFAARN CCCCC[C@@H]1[C@H](O)CC[C@H]1CC(=O)OC ZINC000239297302 168746641 /nfs/dbraw/zinc/74/66/41/168746641.db2.gz DZWZEZICFCEJOT-SDDRHHMPSA-N 0 0 228.332 2.517 50 0 biogenic BFAARN CCCCC[C@H](O)[C@H](CO)CCCC ZINC000001655724 168746880 /nfs/dbraw/zinc/74/68/80/168746880.db2.gz KBGFEZLHKQYIPE-RYUDHWBXSA-N 0 0 202.338 2.726 50 0 BFAARN Nc1c2ccc(Cl)cc2nc2c1C(=O)CCC2 ZINC000001461597 355776452 /nfs/dbraw/zinc/77/64/52/355776452.db2.gz YTFJCNVHRDEWJN-UHFFFAOYSA-N 0 0 246.697 2.989 50 0 BFAARN CC[C@H]1CCCCN1C(=O)C1CCCC1 ZINC000001466478 355806110 /nfs/dbraw/zinc/80/61/10/355806110.db2.gz XIUAWVWOVMNYNX-LBPRGKRZSA-N 0 0 209.333 2.968 50 0 BFAARN NC(=O)/C=C/c1ccccc1Oc1ccccc1 ZINC000001406001 181212003 /nfs/dbraw/zinc/21/20/03/181212003.db2.gz ZYSUKZXLXFAIAP-ZHACJKMWSA-N 0 0 239.274 2.977 50 0 BFAARN O[C@H]1CCCC[C@H]1Nc1cccc(F)c1F ZINC000040230483 355814364 /nfs/dbraw/zinc/81/43/64/355814364.db2.gz ZUGHOLBBPUTODQ-KOLCDFICSA-N 0 0 227.254 2.680 50 0 BFAARN Cc1ccc(Nc2ncnc3nc[nH]c32)cc1C ZINC000001470179 355836952 /nfs/dbraw/zinc/83/69/52/355836952.db2.gz IOPVEFNFEJPUQH-UHFFFAOYSA-N 0 0 239.282 2.713 50 0 BFAARN Cc1ccc(CNC(=O)CC(F)(F)F)s1 ZINC000049072563 355891622 /nfs/dbraw/zinc/89/16/22/355891622.db2.gz UXBOOPDCFBHTCM-UHFFFAOYSA-N 0 0 237.246 2.625 50 0 BFAARN NC(=O)CCc1cccc(-c2ccc(F)cc2)c1 ZINC000091656032 181227643 /nfs/dbraw/zinc/22/76/43/181227643.db2.gz MBRJMMXBFPOVLA-UHFFFAOYSA-N 0 0 243.281 2.911 50 0 BFAARN O=C(c1ccccc1)n1cnc2ccccc21 ZINC000000101715 356019529 /nfs/dbraw/zinc/01/95/29/356019529.db2.gz IYVBKVVOHXVKRD-UHFFFAOYSA-N 0 0 222.247 2.725 50 0 BFAARN NC(=O)N(c1ccccc1)c1ccccc1 ZINC000001648197 181249697 /nfs/dbraw/zinc/24/96/97/181249697.db2.gz XKAFKUGMXFMRCC-UHFFFAOYSA-N 0 0 212.252 2.903 50 0 BFAARN CCN(CC)C(=O)Nc1cccc(F)c1 ZINC000000399827 356358003 /nfs/dbraw/zinc/35/80/03/356358003.db2.gz RAJFRKGVVAYAAT-UHFFFAOYSA-N 0 0 210.252 2.699 50 0 BFAARN Cc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000000396857 356358075 /nfs/dbraw/zinc/35/80/75/356358075.db2.gz JFAZJXHKUTYROF-VXGBXAGGSA-N 0 0 248.326 2.636 50 0 BFAARN CC[C@@H](C)NC(=O)/C=C/c1ccccc1 ZINC000000555140 356359478 /nfs/dbraw/zinc/35/94/78/356359478.db2.gz HOKNEZLZDQSGDN-PBQZMEPESA-N 0 0 203.285 2.615 50 0 BFAARN Cc1ccc(CC(=O)NC(C2CC2)C2CC2)cc1 ZINC000012870224 356360803 /nfs/dbraw/zinc/36/08/03/356360803.db2.gz MNPFARMBJYNOGG-UHFFFAOYSA-N 0 0 243.350 2.842 50 0 BFAARN CCCCC[C@@H]1COCC[C@@H]1OC(C)=O ZINC000002166745 356365479 /nfs/dbraw/zinc/36/54/79/356365479.db2.gz VSRVCSJJKWDZSH-NEPJUHHUSA-N 0 0 214.305 2.535 50 0 BFAARN C[C@@]12CC3(C[C@]1(C)CC=CC2)OCCO3 ZINC000043761743 356371862 /nfs/dbraw/zinc/37/18/62/356371862.db2.gz GZDYZWLAMPNMNY-TXEJJXNPSA-N 0 0 208.301 2.886 50 0 BFAARN C[C@@H]1c2cc3ccccc3cc2S1(=O)=O ZINC000045027655 356372335 /nfs/dbraw/zinc/37/23/35/356372335.db2.gz SLHSKYQPKSHENQ-MRVPVSSYSA-N 0 0 218.277 2.688 50 0 BFAARN Fc1ccc2c(c1)CC[C@@H]2Nc1ncccn1 ZINC000049322338 356415236 /nfs/dbraw/zinc/41/52/36/356415236.db2.gz IDQRIUGRRWXESE-LBPRGKRZSA-N 0 0 229.258 2.715 50 0 BFAARN NC(=O)[C@]1(c2ccccc2)C[C@H]1c1ccccc1 ZINC000051330282 181286611 /nfs/dbraw/zinc/28/66/11/181286611.db2.gz BUIVWFXITQHJJQ-HOCLYGCPSA-N 0 0 237.302 2.597 50 0 BFAARN CC[C@@H](C)NC(=O)Cc1ccccc1Cl ZINC000012932670 356659078 /nfs/dbraw/zinc/65/90/78/356659078.db2.gz KFHWXVXOEVDERS-SECBINFHSA-N 0 0 225.719 2.797 50 0 BFAARN Cc1cc(NC(=O)NCc2cccs2)ccn1 ZINC000074754236 356667979 /nfs/dbraw/zinc/66/79/79/356667979.db2.gz QEUOSLNVGCIVPK-UHFFFAOYSA-N 0 0 247.323 2.773 50 0 BFAARN Cc1cccc(CC2CN(C(=O)[C@@H]3C[C@H]3C)C2)c1 ZINC000085459279 538540673 /nfs/dbraw/zinc/54/06/73/538540673.db2.gz GGBNKMZXCMEOPA-IUODEOHRSA-N 0 0 243.350 2.652 50 0 BFAARN Cc1cc(C)c(C(=O)N2C[C@@H]3CCCC[C@H]3C2)[nH]1 ZINC000089568587 538581997 /nfs/dbraw/zinc/58/19/97/538581997.db2.gz PQKABQKWTLQSLZ-STQMWFEESA-N 0 0 246.354 2.894 50 0 BFAARN O=C(C1CCCC1)N1CC[C@@H]2CCCC[C@H]21 ZINC000089818673 538584757 /nfs/dbraw/zinc/58/47/57/538584757.db2.gz XQYAVRQKNONDLS-WCQYABFASA-N 0 0 221.344 2.968 50 0 BFAARN CNC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000092760125 538595981 /nfs/dbraw/zinc/59/59/81/538595981.db2.gz RKLNBHPNGJEPTR-DZGCQCFKSA-N 0 0 244.338 2.727 50 0 BFAARN CC(=O)N1CCC[C@H]1c1cc(C)cc(C)c1 ZINC000095397208 538606968 /nfs/dbraw/zinc/60/69/68/538606968.db2.gz YCNJMCMVEGJRJX-AWEZNQCLSA-N 0 0 217.312 2.987 50 0 BFAARN Cc1ccc(Cl)c(NC(=O)Cc2cc[nH]n2)c1 ZINC000095417473 538610099 /nfs/dbraw/zinc/61/00/99/538610099.db2.gz WMURAHBAMZHQLO-UHFFFAOYSA-N 0 0 249.701 2.553 50 0 BFAARN Cc1ccccc1CC1CN(C(=O)[C@@H]2C[C@@H]2C)C1 ZINC000095964638 538610207 /nfs/dbraw/zinc/61/02/07/538610207.db2.gz HPFFZBUQONATJE-SWLSCSKDSA-N 0 0 243.350 2.652 50 0 BFAARN c1cc(N[C@H]2CCOC2)cc(N2CCCCC2)c1 ZINC000095971904 538611409 /nfs/dbraw/zinc/61/14/09/538611409.db2.gz RBEPWEMNXGBQBI-AWEZNQCLSA-N 0 0 246.354 2.878 50 0 BFAARN Cc1ncccc1CNc1ccc(F)cn1 ZINC000095990017 538614292 /nfs/dbraw/zinc/61/42/92/538614292.db2.gz JXJYJIWWXQMWKM-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN Cc1ccc(CNC(=O)C=C2CCCCC2)n1C ZINC000075137952 356876944 /nfs/dbraw/zinc/87/69/44/356876944.db2.gz KKCHNAJHLJCCKR-UHFFFAOYSA-N 0 0 246.354 2.840 50 0 BFAARN COCc1cccc(C(=O)OC2(C)CCC2)c1 ZINC000075109486 356841282 /nfs/dbraw/zinc/84/12/82/356841282.db2.gz SIYUBCUUYSGFSJ-UHFFFAOYSA-N 0 0 234.295 2.932 50 0 BFAARN COc1ccc(/C=C(/SC)[S@@](C)=O)cc1 ZINC000075261147 356924440 /nfs/dbraw/zinc/92/44/40/356924440.db2.gz YFURDRITMJHYBS-QIENPNARSA-N 0 0 242.365 2.735 50 0 BFAARN Cc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1 ZINC000016292506 356938657 /nfs/dbraw/zinc/93/86/57/356938657.db2.gz PQWDRHSDZGPZMY-UHFFFAOYSA-N 0 0 246.335 2.679 50 0 BFAARN Fc1ccc(NCc2cccnc2)cc1F ZINC000000279815 356952590 /nfs/dbraw/zinc/95/25/90/356952590.db2.gz KYIKZSQMMJDBML-UHFFFAOYSA-N 0 0 220.222 2.972 50 0 BFAARN Clc1ccc(SCCn2cncn2)cc1 ZINC000000618282 356952843 /nfs/dbraw/zinc/95/28/43/356952843.db2.gz MHVJBBYWUJARCL-UHFFFAOYSA-N 0 0 239.731 2.724 50 0 BFAARN CC[C@@H](C(=O)NC(C)C)c1ccccc1 ZINC000001628095 357032107 /nfs/dbraw/zinc/03/21/07/357032107.db2.gz TUSGSZXRIZJZIW-GFCCVEGCSA-N 0 0 205.301 2.705 50 0 BFAARN CC1CCC(NC(=O)C2CCCC2)CC1 ZINC000012914692 538778301 /nfs/dbraw/zinc/77/83/01/538778301.db2.gz FOTYKYUKNOLODH-UHFFFAOYSA-N 0 0 209.333 2.872 50 0 BFAARN O=c1cccnn1C/C=C\c1ccc(Cl)cc1 ZINC000582451605 357230256 /nfs/dbraw/zinc/23/02/56/357230256.db2.gz RKAKJASYUORKIW-IHWYPQMZSA-N 0 0 246.697 2.610 50 0 BFAARN C[C@@](O)(c1ccccc1)[C@H](O)c1ccccc1 ZINC000001720245 357336073 /nfs/dbraw/zinc/33/60/73/357336073.db2.gz KVDNJQJZESZZST-HUUCEWRRSA-N 0 0 228.291 2.628 50 0 BFAARN NC(=O)c1ccc(-c2ccccc2)c2cc[nH]c21 ZINC000049582188 181291958 /nfs/dbraw/zinc/29/19/58/181291958.db2.gz HAJGHLHGFWFBRZ-UHFFFAOYSA-N 0 0 236.274 2.934 50 0 BFAARN NC(=O)c1cc2ccccc2n1-c1ccccc1 ZINC000006715830 181292399 /nfs/dbraw/zinc/29/23/99/181292399.db2.gz SHVVLJKMYJRHOL-UHFFFAOYSA-N 0 0 236.274 2.729 50 0 BFAARN COc1cc2ccccc2cc1C(=O)N1CCC1 ZINC000012973377 357931759 /nfs/dbraw/zinc/93/17/59/357931759.db2.gz UZOPPCDMXLZWAS-UHFFFAOYSA-N 0 0 241.290 2.694 50 0 BFAARN COc1cc(NC(=O)C2CCCC2)cc(OC)c1 ZINC000006385932 358006084 /nfs/dbraw/zinc/00/60/84/358006084.db2.gz LDWSWYFDKBDTMK-UHFFFAOYSA-N 0 0 249.310 2.833 50 0 BFAARN C[C@H](CNC(=O)c1ccncc1)c1ccccc1 ZINC000012982289 358020990 /nfs/dbraw/zinc/02/09/90/358020990.db2.gz KUMDDXSACSWWBG-GFCCVEGCSA-N 0 0 240.306 2.615 50 0 BFAARN CCCn1c2ccccc2c2ocnc2c1=O ZINC000032222905 358040207 /nfs/dbraw/zinc/04/02/07/358040207.db2.gz PBSZNKAGZUXSGA-UHFFFAOYSA-N 0 0 228.251 2.553 50 0 BFAARN CCC(CC)N(C)C(=O)NCCc1ccco1 ZINC000084727537 491122386 /nfs/dbraw/zinc/12/23/86/491122386.db2.gz BSOGLIMJNHDWHL-UHFFFAOYSA-N 0 0 238.331 2.652 50 0 BFAARN CCC(CC)N(C)C(=O)N[C@H](C)C(C)C ZINC000084727515 491122405 /nfs/dbraw/zinc/12/24/05/491122405.db2.gz CCQDSBWWPXUSOK-SNVBAGLBSA-N 0 0 214.353 2.861 50 0 BFAARN CC[C@@H](C)NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000013003350 358134756 /nfs/dbraw/zinc/13/47/56/358134756.db2.gz WGGPCXMDGOWDJU-MRVPVSSYSA-N 0 0 234.274 2.835 50 0 BFAARN CCCCCNC(=O)C(Cl)(Cl)Cl ZINC000001794309 358145142 /nfs/dbraw/zinc/14/51/42/358145142.db2.gz JNFQABFRGDURIA-UHFFFAOYSA-N 0 0 232.538 2.663 50 0 BFAARN CC(C)CNC(=O)c1ccc2ncsc2c1 ZINC000013011908 358172199 /nfs/dbraw/zinc/17/21/99/358172199.db2.gz NQYQBEHOCJDYJT-UHFFFAOYSA-N 0 0 234.324 2.682 50 0 BFAARN Cc1ccc(F)c(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000013019550 358195473 /nfs/dbraw/zinc/19/54/73/358195473.db2.gz RUOMZFDQAPMCHO-IUCAKERBSA-N 0 0 207.248 2.729 50 0 BFAARN O=C(Nc1ccsc1)N[C@H]1CC[C@H](F)C1 ZINC000334237672 358222496 /nfs/dbraw/zinc/22/24/96/358222496.db2.gz LZOCVMAMZXCFGM-YUMQZZPRSA-N 0 0 228.292 2.760 50 0 BFAARN C[C@H](N[C@H]1CCCc2occc21)c1nccn1C ZINC000070443744 359054112 /nfs/dbraw/zinc/05/41/12/359054112.db2.gz AEVWHCSRGYFHTI-JQWIXIFHSA-N 0 0 245.326 2.741 50 0 BFAARN Cc1ccc2c(c1)c1c(n2C)[C@H](O)CCC1 ZINC000000178924 359618629 /nfs/dbraw/zinc/61/86/29/359618629.db2.gz BBIZIYDTFMVGPV-CYBMUJFWSA-N 0 0 215.296 2.856 50 0 biogenic BFAARN Cc1ccc(NC(=O)NC(C)(C)C)cc1 ZINC000002479718 359640200 /nfs/dbraw/zinc/64/02/00/359640200.db2.gz DQWYQAMGQACBKJ-UHFFFAOYSA-N 0 0 206.289 2.915 50 0 BFAARN CCCCN1Cc2ccccc2O[C@@H](C)C1=O ZINC000064542467 360159767 /nfs/dbraw/zinc/15/97/67/360159767.db2.gz BEBIKQJKBLSEJZ-NSHDSACASA-N 0 0 233.311 2.596 50 0 BFAARN NC(=O)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000010031529 181301044 /nfs/dbraw/zinc/30/10/44/181301044.db2.gz KYFVQTLQFWOEDC-UHFFFAOYSA-N 0 0 245.253 2.504 50 0 BFAARN CC(C)CNC(=O)c1cccc(OC(C)C)c1 ZINC000004850985 360478708 /nfs/dbraw/zinc/47/87/08/360478708.db2.gz UMLAFNYOTKUOQA-UHFFFAOYSA-N 0 0 235.327 2.860 50 0 BFAARN CC(C)(C)CC(=O)n1nnc2ccccc21 ZINC000005283944 360485649 /nfs/dbraw/zinc/48/56/49/360485649.db2.gz ZGYTUDOKBYAGMV-UHFFFAOYSA-N 0 0 217.272 2.508 50 0 BFAARN CC(C)[C@H](C(=O)NCc1ccco1)n1cccc1 ZINC000012137317 219811015 /nfs/dbraw/zinc/81/10/15/219811015.db2.gz CFYUXIPCYMGMMA-CYBMUJFWSA-N 0 0 246.310 2.595 50 0 BFAARN C[C@H](CC(=O)OCc1ccccc1)n1ccnc1 ZINC000006651054 360545817 /nfs/dbraw/zinc/54/58/17/360545817.db2.gz MKAAOJVROHERPX-GFCCVEGCSA-N 0 0 244.294 2.578 50 0 BFAARN CC(=O)N[C@H](Cc1ccccc1)C(C)(C)C ZINC000095959981 219840953 /nfs/dbraw/zinc/84/09/53/219840953.db2.gz DSJDTLINJDZEII-CYBMUJFWSA-N 0 0 219.328 2.780 50 0 BFAARN CCc1c(-c2cc(OC)cc(OC)c2)cnn1C ZINC000426490442 219850070 /nfs/dbraw/zinc/85/00/70/219850070.db2.gz YIZCEBGYYHSKTO-UHFFFAOYSA-N 0 0 246.310 2.667 50 0 BFAARN CC1=CC2=NC(=N)c3ccccc3CN2C=C1 ZINC000006759452 360739370 /nfs/dbraw/zinc/73/93/70/360739370.db2.gz IRBLGOZEAHXTAR-UHFFFAOYSA-N 0 0 223.279 2.700 50 0 BFAARN NC(=S)C(Cl)(Cl)c1ccccc1 ZINC000057219128 181315657 /nfs/dbraw/zinc/31/56/57/181315657.db2.gz HYHIUSVPMGKBBF-UHFFFAOYSA-N 0 0 220.124 2.603 50 0 BFAARN CS[C@@H](C)C(=O)NCc1ccc(Cl)s1 ZINC000036398260 361084650 /nfs/dbraw/zinc/08/46/50/361084650.db2.gz WFEZTLLOSSBGSW-LURJTMIESA-N 0 0 249.788 2.769 50 0 BFAARN COCc1cccc(C(=O)N[C@H](C)C(C)C)c1 ZINC000036391925 361075115 /nfs/dbraw/zinc/07/51/15/361075115.db2.gz OIHDIPVQVUBMCP-LLVKDONJSA-N 0 0 235.327 2.607 50 0 BFAARN C[C@H](CC(=O)Nc1cn[nH]c1)c1ccccc1 ZINC000036394414 361081072 /nfs/dbraw/zinc/08/10/72/361081072.db2.gz IBCOJHBJSLAVAD-SNVBAGLBSA-N 0 0 229.283 2.542 50 0 BFAARN Clc1c2ccnn2ccc1Br ZINC000238559518 361150206 /nfs/dbraw/zinc/15/02/06/361150206.db2.gz WIXLWTSIJGQDLJ-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN Cc1n[nH]c(C)c1-c1ccc2c(cc[nH]c2=O)c1 ZINC000426394457 200984637 /nfs/dbraw/zinc/98/46/37/200984637.db2.gz BDQOSIKLEPBHBS-UHFFFAOYSA-N 0 0 239.278 2.535 50 0 BFAARN Cc1cnc(-n2cnnc2)c(C2=CCCCC2)c1 ZINC000426498503 200990014 /nfs/dbraw/zinc/99/00/14/200990014.db2.gz JLHWSLAAVNBQDX-UHFFFAOYSA-N 0 0 240.310 2.928 50 0 BFAARN Nc1cccnc1-c1ccc(-n2cccn2)cc1 ZINC000426544415 200992314 /nfs/dbraw/zinc/99/23/14/200992314.db2.gz PQDZGQLDPOJJKI-UHFFFAOYSA-N 0 0 236.278 2.517 50 0 BFAARN CC(C)c1ccc(-c2nc(N(C)C)n(C)n2)cc1 ZINC000426661978 200994386 /nfs/dbraw/zinc/99/43/86/200994386.db2.gz HISDULOYSXBAEB-UHFFFAOYSA-N 0 0 244.342 2.672 50 0 BFAARN CCc1nc(CNc2ncccc2F)cs1 ZINC000195575256 361708510 /nfs/dbraw/zinc/70/85/10/361708510.db2.gz FQSPMFGGFPHVOP-UHFFFAOYSA-N 0 0 237.303 2.852 50 0 BFAARN O=Cc1cc(-c2noc(C3CCC3)n2)cs1 ZINC000725273569 541341123 /nfs/dbraw/zinc/34/11/23/541341123.db2.gz LTCNPSMYVMMTBJ-UHFFFAOYSA-N 0 0 234.280 2.878 50 0 BFAARN O=Cc1ccc(-c2noc(C3CCC3)n2)s1 ZINC000725273639 541341293 /nfs/dbraw/zinc/34/12/93/541341293.db2.gz RMQLPILQCNSIFA-UHFFFAOYSA-N 0 0 234.280 2.878 50 0 BFAARN C[C@@H](Nc1ccn(C)n1)c1ccc(F)cc1F ZINC000037560520 364190633 /nfs/dbraw/zinc/19/06/33/364190633.db2.gz YCSCVQGXDYQABR-MRVPVSSYSA-N 0 0 237.253 2.871 50 0 BFAARN CC(C)(C)N=C1NN=C(c2ccccc2)CS1 ZINC000007850092 364547880 /nfs/dbraw/zinc/54/78/80/364547880.db2.gz NGMAVHOYUCQQIF-UHFFFAOYSA-N 0 0 247.367 2.882 50 0 BFAARN CC(C)=C[C@H]1[C@H](C(=O)NC2CC2)C1(C)C ZINC000012905701 541486615 /nfs/dbraw/zinc/48/66/15/541486615.db2.gz PADZZLZDZKMHPI-WDEREUQCSA-N 0 0 207.317 2.503 50 0 BFAARN CCCNC(=O)[C@H]1Cc2ccc(C)cc2S1 ZINC000012893168 541486718 /nfs/dbraw/zinc/48/67/18/541486718.db2.gz ZCIYGZNJXKWCDY-GFCCVEGCSA-N 0 0 235.352 2.538 50 0 BFAARN C[C@H](NC(=O)[C@H]1C[C@H]1C)c1cccc(F)c1 ZINC000012905665 541486916 /nfs/dbraw/zinc/48/69/16/541486916.db2.gz YCVOXSYSUKLHSK-PTRXPTGYSA-N 0 0 221.275 2.659 50 0 BFAARN Cc1oc(C)c(C(=O)NCc2ccccn2)c1C ZINC000032819385 541502414 /nfs/dbraw/zinc/50/24/14/541502414.db2.gz QNYIDIMDIHPQRV-UHFFFAOYSA-N 0 0 244.294 2.530 50 0 BFAARN CN(Cc1ccccc1Cl)C(=O)n1ccnc1 ZINC000032859695 541502581 /nfs/dbraw/zinc/50/25/81/541502581.db2.gz WNKXECXNXACQOU-UHFFFAOYSA-N 0 0 249.701 2.637 50 0 BFAARN COc1cc(N)cc(NC(=O)OC(C)(C)C)c1 ZINC000116812719 370839060 /nfs/dbraw/zinc/83/90/60/370839060.db2.gz VZRCVFSHXLAVGO-UHFFFAOYSA-N 0 0 238.287 2.624 50 0 BFAARN COC(=O)C1c2ccccc2-c2ccccc21 ZINC000000227412 368057458 /nfs/dbraw/zinc/05/74/58/368057458.db2.gz LQSPZSGFDFRDBS-UHFFFAOYSA-N 0 0 224.259 2.972 50 0 BFAARN O=C(NC=C(Cl)Cl)NC=C(Cl)Cl ZINC000019908546 368372966 /nfs/dbraw/zinc/37/29/66/368372966.db2.gz RKYDIARPJMXPMB-UHFFFAOYSA-N 0 0 249.912 2.839 50 0 BFAARN CC(C)(C)C(=O)CN1C=CC(=CN=O)C=C1 ZINC000038305845 368376013 /nfs/dbraw/zinc/37/60/13/368376013.db2.gz DOVGKEZPAQXELV-UHFFFAOYSA-N 0 0 220.272 2.595 50 0 BFAARN NC1=CC=CN2C=CC=C[C@@H]2c2ccccc21 ZINC000114002429 368386306 /nfs/dbraw/zinc/38/63/06/368386306.db2.gz ORLYMAFFKQODAU-OAHLLOKOSA-N 0 0 222.291 2.940 50 0 BFAARN COCOCc1cccc(Br)c1 ZINC000113993154 368387406 /nfs/dbraw/zinc/38/74/06/368387406.db2.gz VNDYOHGWFBUTMJ-UHFFFAOYSA-N 0 0 231.089 2.570 50 0 BFAARN COC(=O)[C@@H](C)O[Si](C)(C)C(C)(C)C ZINC000195758996 368423373 /nfs/dbraw/zinc/42/33/73/368423373.db2.gz PNJFLQWCBDRGFD-MRVPVSSYSA-N 0 0 218.369 2.570 50 0 BFAARN C/C=C/C=C/C(=O)Nc1cccc(NC(C)=O)c1 ZINC000015421786 368455656 /nfs/dbraw/zinc/45/56/56/368455656.db2.gz ODTIWVBLVISLNR-PRKJJMSOSA-N 0 0 244.294 2.716 50 0 BFAARN CSCc1nc2ccccc2nc1C ZINC000059352178 368532222 /nfs/dbraw/zinc/53/22/22/368532222.db2.gz XIQXDTDLCHMYIL-UHFFFAOYSA-N 0 0 204.298 2.801 50 0 BFAARN CC[C@]1(c2cccc(OC)c2)CCCCNC1=O ZINC000000157633 368512025 /nfs/dbraw/zinc/51/20/25/368512025.db2.gz QHRHMXLAEBLVPG-OAHLLOKOSA-N 0 0 247.338 2.643 50 0 BFAARN CCC[C@]1(C)NC(=S)N(c2ccccc2)N1 ZINC000000220299 368519215 /nfs/dbraw/zinc/51/92/15/368519215.db2.gz QKKUXAIKMXQCLZ-GFCCVEGCSA-N 0 0 235.356 2.813 50 0 BFAARN Oc1cccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000253369702 368939879 /nfs/dbraw/zinc/93/98/79/368939879.db2.gz GXSAMNBVLABXQA-MGPQQGTHSA-N 0 0 245.322 2.762 50 0 BFAARN COCc1nc(-c2scc3c2CCCC3)n[nH]1 ZINC000584896024 369043784 /nfs/dbraw/zinc/04/37/84/369043784.db2.gz ONGUEWYCNCDMPR-UHFFFAOYSA-N 0 0 249.339 2.558 50 0 BFAARN C=Cc1ccc(NC(=O)C(C)(C)C)nc1 ZINC000117841211 370974961 /nfs/dbraw/zinc/97/49/61/370974961.db2.gz DUSUDDSKKLCVMN-UHFFFAOYSA-N 0 0 204.273 2.709 50 0 BFAARN O=c1c2ccc(F)cc2ncn1[C@H]1C=CCCC1 ZINC000076610131 370331878 /nfs/dbraw/zinc/33/18/78/370331878.db2.gz SKWPQEKOQZLQEO-NSHDSACASA-N 0 0 244.269 2.817 50 0 BFAARN O=c1c2ccc(F)cc2ncn1[C@@H]1C=CCCC1 ZINC000076610134 370331974 /nfs/dbraw/zinc/33/19/74/370331974.db2.gz SKWPQEKOQZLQEO-LLVKDONJSA-N 0 0 244.269 2.817 50 0 BFAARN Nc1nc(N2CCCCCC2)nc2ccccc12 ZINC000013234874 371025035 /nfs/dbraw/zinc/02/50/35/371025035.db2.gz PXVCWIOKZBVHJG-UHFFFAOYSA-N 0 0 242.326 2.592 50 0 BFAARN Cc1ccc(C(=O)N[C@@]2(C)CCCOC2)c(C)c1 ZINC000390833684 371240767 /nfs/dbraw/zinc/24/07/67/371240767.db2.gz LLENZNKSPOLLCA-HNNXBMFYSA-N 0 0 247.338 2.602 50 0 BFAARN CC[C@@H](c1ccccc1)[S@](=O)CCCOC ZINC000095411033 371280726 /nfs/dbraw/zinc/28/07/26/371280726.db2.gz LPUAGHXCLJHSTB-BBRMVZONSA-N 0 0 240.368 2.923 50 0 BFAARN CC[C@@H](c1ccccc1)[S@@](=O)CCCOC ZINC000095411031 371280930 /nfs/dbraw/zinc/28/09/30/371280930.db2.gz LPUAGHXCLJHSTB-XJKSGUPXSA-N 0 0 240.368 2.923 50 0 BFAARN FC(F)(F)c1ccnc(N2CCSCC2)c1 ZINC000080772830 371312463 /nfs/dbraw/zinc/31/24/63/371312463.db2.gz AOVLUAPRGYVARG-UHFFFAOYSA-N 0 0 248.273 2.654 50 0 BFAARN CC(C)(C)c1noc(CCc2ccc(O)cc2)n1 ZINC000020994728 371356605 /nfs/dbraw/zinc/35/66/05/371356605.db2.gz ZELZNSBAEUQHDL-UHFFFAOYSA-N 0 0 246.310 2.858 50 0 BFAARN Nc1ccc(-c2cc(F)cc(F)c2)nc1 ZINC000041214477 181693463 /nfs/dbraw/zinc/69/34/63/181693463.db2.gz KQFUWKXEEDTCGJ-UHFFFAOYSA-N 0 0 206.195 2.609 50 0 BFAARN Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000122928 181696268 /nfs/dbraw/zinc/69/62/68/181696268.db2.gz VQFBXSRZSUJGOF-UHFFFAOYSA-N 0 0 209.252 2.812 50 0 BFAARN Nc1ccc(Br)c2cnccc12 ZINC000039119719 181698760 /nfs/dbraw/zinc/69/87/60/181698760.db2.gz VUBVOESPWKJXOQ-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Nc1ccc(Br)c2ncsc21 ZINC000098178145 181698899 /nfs/dbraw/zinc/69/88/99/181698899.db2.gz DPFMZNASRLJKNZ-UHFFFAOYSA-N 0 0 229.102 2.641 50 0 BFAARN CC(C)CCn1ccc(N[C@@H]2CCO[C@@H]2C)n1 ZINC000095991634 371372002 /nfs/dbraw/zinc/37/20/02/371372002.db2.gz UAOVYWCJAKFTIN-VXGBXAGGSA-N 0 0 237.347 2.519 50 0 BFAARN Nc1ccc(N2CCCCCC2)c(F)c1 ZINC000020135783 181713382 /nfs/dbraw/zinc/71/33/82/181713382.db2.gz GFCUPQCNINYJKS-UHFFFAOYSA-N 0 0 208.280 2.788 50 0 BFAARN CN(C)CC(=O)C1(c2ccccc2)CCCC1 ZINC000096027970 371383668 /nfs/dbraw/zinc/38/36/68/371383668.db2.gz ZHBXSUZNFIQSLJ-UHFFFAOYSA-N 0 0 231.339 2.629 50 0 BFAARN Nc1cccc(C(=O)Nc2ccccc2)c1 ZINC000000291001 181742612 /nfs/dbraw/zinc/74/26/12/181742612.db2.gz KPSPULPPMWHXGE-UHFFFAOYSA-N 0 0 212.252 2.521 50 0 BFAARN Nc1cccc(CSC2CCOCC2)c1 ZINC000062053912 181743636 /nfs/dbraw/zinc/74/36/36/181743636.db2.gz DVFCAYUNLOGXNC-UHFFFAOYSA-N 0 0 223.341 2.681 50 0 BFAARN Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC000019845678 181724833 /nfs/dbraw/zinc/72/48/33/181724833.db2.gz QUOZQXMRUXRXAR-UHFFFAOYSA-N 0 0 243.744 2.925 50 0 BFAARN Nc1ccccc1C(=O)Nc1ccccc1 ZINC000000150129 181752947 /nfs/dbraw/zinc/75/29/47/181752947.db2.gz FDPVTENMNDHFNK-UHFFFAOYSA-N 0 0 212.252 2.521 50 0 BFAARN Nc1ccccc1SCC(F)(F)F ZINC000008747392 181758118 /nfs/dbraw/zinc/75/81/18/181758118.db2.gz HENBDRLKMRCDES-UHFFFAOYSA-N 0 0 207.220 2.923 50 0 BFAARN Nc1cccnc1Sc1ccccc1 ZINC000000334959 181759135 /nfs/dbraw/zinc/75/91/35/181759135.db2.gz BGHRGXJUSHPCRV-UHFFFAOYSA-N 0 0 202.282 2.815 50 0 BFAARN CCCc1cc(C(=O)NC2CCCCC2)no1 ZINC000002498043 371561041 /nfs/dbraw/zinc/56/10/41/371561041.db2.gz UWYFUCDLJDTNBA-UHFFFAOYSA-N 0 0 236.315 2.690 50 0 BFAARN Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 ZINC000062152054 181775970 /nfs/dbraw/zinc/77/59/70/181775970.db2.gz BMBOADCUJCZNQE-UHFFFAOYSA-N 0 0 242.307 2.578 50 0 BFAARN O=C1CCCC[C@H]1[C@H](O)c1ccc(F)cc1 ZINC000028294559 371591908 /nfs/dbraw/zinc/59/19/08/371591908.db2.gz DGXAHHNBPVFSJS-DGCLKSJQSA-N 0 0 222.259 2.618 50 0 BFAARN Nc1nnc(-c2cc3c(s2)CCCC3)s1 ZINC000019874357 181812505 /nfs/dbraw/zinc/81/25/05/181812505.db2.gz MSSCIHVVLPBIQB-UHFFFAOYSA-N 0 0 237.353 2.728 50 0 BFAARN O=C(NCc1ccco1)[C@H]1[C@@H]2CCCCC=C[C@H]21 ZINC000230149203 371860665 /nfs/dbraw/zinc/86/06/65/371860665.db2.gz ZZYJXLSLHDDCAV-MGPQQGTHSA-N 0 0 245.322 2.888 50 0 BFAARN Cc1ccc(NC(=O)c2ccccn2)c(C)c1 ZINC000003065512 371862653 /nfs/dbraw/zinc/86/26/53/371862653.db2.gz OYSAWPNMCRVROJ-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccncc1 ZINC000000369266 181837206 /nfs/dbraw/zinc/83/72/06/181837206.db2.gz JYAPUAXONHYIEL-ZZXKWVIFSA-N 0 0 242.253 2.873 50 0 BFAARN Cc1ccc(NNC(=S)NC(C)C)c(C)c1 ZINC000003360249 371969719 /nfs/dbraw/zinc/96/97/19/371969719.db2.gz VDGZFJMTULJBEA-UHFFFAOYSA-N 0 0 237.372 2.503 50 0 BFAARN O=C(/C=C/c1ccco1)NC(C1CC1)C1CC1 ZINC000022534254 181843801 /nfs/dbraw/zinc/84/38/01/181843801.db2.gz VOGKDOKOHXTIOT-BQYQJAHWSA-N 0 0 231.295 2.598 50 0 BFAARN O=C(/C=C/c1ccoc1)NCc1ccsc1 ZINC000096120195 181846443 /nfs/dbraw/zinc/84/64/43/181846443.db2.gz HZZIXTAAGHULNB-OWOJBTEDSA-N 0 0 233.292 2.671 50 0 BFAARN O=C(/C=C/c1ccccc1F)NCC(F)(F)F ZINC000058191066 181840735 /nfs/dbraw/zinc/84/07/35/181840735.db2.gz LDLBKIUJTFTZQS-AATRIKPKSA-N 0 0 247.191 2.517 50 0 BFAARN O=C(/C=C/c1ccccc1)OCc1cncs1 ZINC000001403725 181840782 /nfs/dbraw/zinc/84/07/82/181840782.db2.gz WOQRFVWAGYMIME-VOTSOKGWSA-N 0 0 245.303 2.900 50 0 BFAARN Cc1cc(C)cc(NC(=O)c2ccccn2)c1 ZINC000003517692 372011333 /nfs/dbraw/zinc/01/13/33/372011333.db2.gz UIMFXMRZPJGDHP-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN O=C(/C=C\c1ccco1)Nc1ccc(Cl)cn1 ZINC000096891656 181851537 /nfs/dbraw/zinc/85/15/37/181851537.db2.gz APEZOXOLPTZRLN-XQRVVYSFSA-N 0 0 248.669 2.980 50 0 BFAARN Cc1ccsc1/C=C1\SC(=O)N(C)C1=O ZINC000004170909 372155844 /nfs/dbraw/zinc/15/58/44/372155844.db2.gz AHICOTFNDOKNJR-YVMONPNESA-N 0 0 239.321 2.723 50 0 BFAARN O=C(C1CCC1)N1CCC(C(F)(F)F)CC1 ZINC000362195426 181866767 /nfs/dbraw/zinc/86/67/67/181866767.db2.gz UALBXMMXCVCXBS-UHFFFAOYSA-N 0 0 235.249 2.587 50 0 BFAARN Nc1cccc2c1n[nH]c2-c1ccccc1 ZINC000031990409 372129783 /nfs/dbraw/zinc/12/97/83/372129783.db2.gz DNDFZHNOXBIURT-UHFFFAOYSA-N 0 0 209.252 2.812 50 0 BFAARN COc1ccc2c(n1)N[C@H](c1ccccc1)CN2 ZINC000134251339 372185962 /nfs/dbraw/zinc/18/59/62/372185962.db2.gz RVEAONVZRPGGBY-LBPRGKRZSA-N 0 0 241.294 2.669 50 0 BFAARN O=C(OCC1CCCCC1)c1ccc(CO)cc1 ZINC000008075337 372308556 /nfs/dbraw/zinc/30/85/56/372308556.db2.gz LPIQVOIPWGNSCY-UHFFFAOYSA-N 0 0 248.322 2.916 50 0 BFAARN CC(C)(C)SCCNC(=O)[C@@H]1CC=CCC1 ZINC000066738294 372533146 /nfs/dbraw/zinc/53/31/46/372533146.db2.gz CRSHWVANRYQONX-LLVKDONJSA-N 0 0 241.400 2.991 50 0 BFAARN CCc1ccc([C@@H](O)C(F)(F)F)cc1 ZINC000038435144 372590027 /nfs/dbraw/zinc/59/00/27/372590027.db2.gz YAYBTIUHXFCXFT-SECBINFHSA-N 0 0 204.191 2.845 50 0 BFAARN O=C(CCc1ccco1)NCc1ccccc1F ZINC000009315066 181933722 /nfs/dbraw/zinc/93/37/22/181933722.db2.gz UAXIATUMTMOMOW-UHFFFAOYSA-N 0 0 247.269 2.668 50 0 BFAARN O=C(CCc1cccs1)Nc1nccs1 ZINC000004540145 181935882 /nfs/dbraw/zinc/93/58/82/181935882.db2.gz QLXVTZMKVXBLCW-UHFFFAOYSA-N 0 0 238.337 2.776 50 0 BFAARN O=C(CN1CCCC1)c1ccccc1Cl ZINC000003306958 181958222 /nfs/dbraw/zinc/95/82/22/181958222.db2.gz BDGKBEOKGJRBPL-UHFFFAOYSA-N 0 0 223.703 2.619 50 0 BFAARN Cc1ccc(NC2=CC(=O)O[C@@H](C)C2)cc1 ZINC000008681026 372843231 /nfs/dbraw/zinc/84/32/31/372843231.db2.gz BMXLBENZQWZURO-JTQLQIEISA-N 0 0 217.268 2.626 50 0 BFAARN Cc1cnc(C(=O)Nc2c(C)cccc2C)cn1 ZINC000008748061 372878897 /nfs/dbraw/zinc/87/88/97/372878897.db2.gz QJGIBNWQNJYQSH-UHFFFAOYSA-N 0 0 241.294 2.654 50 0 BFAARN Cc1cc(-c2cc3ccccc3o2)c(=O)[nH]n1 ZINC000426396688 372856584 /nfs/dbraw/zinc/85/65/84/372856584.db2.gz WVGJWCDEPCZEBT-UHFFFAOYSA-N 0 0 226.235 2.904 50 0 BFAARN CCCCSc1nc(C)c(CCC)c(=O)[nH]1 ZINC000008767789 372891601 /nfs/dbraw/zinc/89/16/01/372891601.db2.gz KJKFPKOVYVBFKR-UHFFFAOYSA-N 0 0 240.372 2.923 50 0 BFAARN Cc1cc(=O)[nH]c(S/C=C/c2ccccc2)n1 ZINC000008772740 372892781 /nfs/dbraw/zinc/89/27/81/372892781.db2.gz FDEIXCIVOCVFTJ-BQYQJAHWSA-N 0 0 244.319 2.841 50 0 BFAARN O=C(C[C@@H]1C=CCC1)N1CCCCCC1 ZINC000032747665 182012291 /nfs/dbraw/zinc/01/22/91/182012291.db2.gz JEWPZPOYDLMPEP-GFCCVEGCSA-N 0 0 207.317 2.745 50 0 BFAARN O=C(C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000037464136 182030072 /nfs/dbraw/zinc/03/00/72/182030072.db2.gz IUXVHIIWQCKBKI-LLVKDONJSA-N 0 0 208.232 2.578 50 0 BFAARN O=C(Cc1ccc(Cl)cc1)NC1CCCC1 ZINC000003093847 182034429 /nfs/dbraw/zinc/03/44/29/182034429.db2.gz WGLIBPCZBACXFH-UHFFFAOYSA-N 0 0 237.730 2.941 50 0 BFAARN O=C(Cc1ccc(Cl)cc1)Nc1cccnc1 ZINC000000327271 182035285 /nfs/dbraw/zinc/03/52/85/182035285.db2.gz RYKWISYLDAUBJQ-UHFFFAOYSA-N 0 0 246.697 2.916 50 0 BFAARN O=C(Cc1cccc(Cl)c1)NCc1ccco1 ZINC000067785371 182040745 /nfs/dbraw/zinc/04/07/45/182040745.db2.gz JDYVZJVSALTKKW-UHFFFAOYSA-N 0 0 249.697 2.792 50 0 BFAARN O=C(Cc1ccccc1)Nc1ccccc1O ZINC000000362219 182044030 /nfs/dbraw/zinc/04/40/30/182044030.db2.gz QAFXRWOIRKOKAZ-UHFFFAOYSA-N 0 0 227.263 2.573 50 0 BFAARN O=C(Cc1ccccc1Cl)NCc1ccco1 ZINC000001053902 182044827 /nfs/dbraw/zinc/04/48/27/182044827.db2.gz WIGGVOZKSIYYFD-UHFFFAOYSA-N 0 0 249.697 2.792 50 0 BFAARN O=C(Cc1ccccc1)c1ccc(O)cc1 ZINC000000134606 182045104 /nfs/dbraw/zinc/04/51/04/182045104.db2.gz JBQTZLNCDIFCCO-UHFFFAOYSA-N 0 0 212.248 2.818 50 0 BFAARN CC(C)[C@H](C)NC(=O)CCc1ccccc1F ZINC000040016049 373088454 /nfs/dbraw/zinc/08/84/54/373088454.db2.gz UZIHCJUATATYNH-NSHDSACASA-N 0 0 237.318 2.919 50 0 BFAARN CC[C@H](Nc1cc(C)ccc1C)C(=O)OC ZINC000040019929 373088909 /nfs/dbraw/zinc/08/89/09/373088909.db2.gz AFJGEBDFIXVYNW-NSHDSACASA-N 0 0 221.300 2.667 50 0 BFAARN COCc1cccc(CNC(=O)CC(C)(C)C)c1 ZINC000040108429 373107537 /nfs/dbraw/zinc/10/75/37/373107537.db2.gz LKAGEXPHYZXGBQ-UHFFFAOYSA-N 0 0 249.354 2.885 50 0 BFAARN O[C@@H](c1ccc(Cl)s1)C(F)(F)F ZINC000040257572 373136166 /nfs/dbraw/zinc/13/61/66/373136166.db2.gz JUGNSURGNNBXHS-YFKPBYRVSA-N 0 0 216.611 2.997 50 0 BFAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccco1 ZINC000004975688 182092611 /nfs/dbraw/zinc/09/26/11/182092611.db2.gz CWKHEECCFSLXIJ-UHFFFAOYSA-N 0 0 245.322 2.978 50 0 BFAARN CCc1cccc(C)c1NC(=O)C1CCOCC1 ZINC000009113467 373258615 /nfs/dbraw/zinc/25/86/15/373258615.db2.gz IETCFORWAYESCL-UHFFFAOYSA-N 0 0 247.338 2.923 50 0 BFAARN O=C(NC1CC1)c1csc2c1CCCC2 ZINC000005070062 182102015 /nfs/dbraw/zinc/10/20/15/182102015.db2.gz GVEXNNSZGSKBSG-UHFFFAOYSA-N 0 0 221.325 2.519 50 0 BFAARN CC(C)(C)C(=O)NCCCOC1CCCCC1 ZINC000040489494 373315840 /nfs/dbraw/zinc/31/58/40/373315840.db2.gz SBMLYCCBBQFDBX-UHFFFAOYSA-N 0 0 241.375 2.888 50 0 BFAARN O=C(NC1CC1)N[C@H]1CCCc2ccccc21 ZINC000032843686 182097247 /nfs/dbraw/zinc/09/72/47/182097247.db2.gz WPDRPSHOYODIAB-ZDUSSCGKSA-N 0 0 230.311 2.526 50 0 BFAARN O=C(NC1CC1)c1cc(-c2ccco2)cs1 ZINC000072243246 182099366 /nfs/dbraw/zinc/09/93/66/182099366.db2.gz IMHBAQBPYHDPKF-UHFFFAOYSA-N 0 0 233.292 2.900 50 0 BFAARN O=C(NC1CCCCCC1)c1cccnc1 ZINC000000029331 182113965 /nfs/dbraw/zinc/11/39/65/182113965.db2.gz YCNAIZSBSFXJGD-UHFFFAOYSA-N 0 0 218.300 2.534 50 0 BFAARN Cc1ccc(CN(C)C(=O)CC(F)(F)F)cc1 ZINC000040496638 373334006 /nfs/dbraw/zinc/33/40/06/373334006.db2.gz FRYUNVHPXJRBEU-UHFFFAOYSA-N 0 0 245.244 2.906 50 0 BFAARN O=C(NC1CCCCC1)c1ccc2ncoc2c1 ZINC000065552681 182113124 /nfs/dbraw/zinc/11/31/24/182113124.db2.gz WVEWIWMPFDJBNE-UHFFFAOYSA-N 0 0 244.294 2.890 50 0 BFAARN O=C(NC1CCCCC1)c1cccnc1Cl ZINC000004553864 182113759 /nfs/dbraw/zinc/11/37/59/182113759.db2.gz DWMGLWCQLGOYOC-UHFFFAOYSA-N 0 0 238.718 2.798 50 0 BFAARN O=C(NC1CCCCC1)c1ccccc1 ZINC000000061530 182114569 /nfs/dbraw/zinc/11/45/69/182114569.db2.gz KQJYDHWNYPRIRY-UHFFFAOYSA-N 0 0 203.285 2.749 50 0 BFAARN O=C(NC1CCCC1)c1ccc(F)c(F)c1F ZINC000016625807 182110958 /nfs/dbraw/zinc/11/09/58/182110958.db2.gz WBTHAQSBQKNJMR-UHFFFAOYSA-N 0 0 243.228 2.776 50 0 BFAARN CSc1cccc(NC(=O)NCC2CC2)c1 ZINC000040525517 373448663 /nfs/dbraw/zinc/44/86/63/373448663.db2.gz PPTQAPAXEWTFGP-UHFFFAOYSA-N 0 0 236.340 2.940 50 0 BFAARN O=C(NCC1(C2CC2)CC1)Nc1ccc(F)cn1 ZINC000123440547 182127804 /nfs/dbraw/zinc/12/78/04/182127804.db2.gz ILBPNSFPBHVFTN-UHFFFAOYSA-N 0 0 249.289 2.532 50 0 BFAARN COCc1cccc(NC(=O)NCC(C)C)c1 ZINC000040527048 373454815 /nfs/dbraw/zinc/45/48/15/373454815.db2.gz IVYQAEMRGWNLDD-UHFFFAOYSA-N 0 0 236.315 2.611 50 0 BFAARN O=C(NCC1CC1)C1(c2cccc(Cl)c2)CC1 ZINC000012977301 182137264 /nfs/dbraw/zinc/13/72/64/182137264.db2.gz UWDHIBJFCNHSEY-UHFFFAOYSA-N 0 0 249.741 2.898 50 0 BFAARN O=C(NCCC1=CCCCC1)c1cscn1 ZINC000059894864 182153244 /nfs/dbraw/zinc/15/32/44/182153244.db2.gz HHSKDLJBBUHIEL-UHFFFAOYSA-N 0 0 236.340 2.763 50 0 BFAARN CC(=O)N(C)Cc1nc2ccccc2n1C(C)C ZINC000009250272 373679366 /nfs/dbraw/zinc/67/93/66/373679366.db2.gz RTDMAYYOPRHVBL-UHFFFAOYSA-N 0 0 245.326 2.596 50 0 BFAARN O=C(NCCSc1ccccc1)c1ccoc1 ZINC000018214783 182198093 /nfs/dbraw/zinc/19/80/93/182198093.db2.gz CWYOCIVICHBHOM-UHFFFAOYSA-N 0 0 247.319 2.802 50 0 BFAARN O=C(NCCOc1ccccc1)c1cccs1 ZINC000003661705 182198143 /nfs/dbraw/zinc/19/81/43/182198143.db2.gz ZMLQLFAMGITLTO-UHFFFAOYSA-N 0 0 247.319 2.557 50 0 BFAARN O=C(NCCSC(F)(F)F)c1ccccc1 ZINC000058331325 182198213 /nfs/dbraw/zinc/19/82/13/182198213.db2.gz YAFAURNYCRUCOK-UHFFFAOYSA-N 0 0 249.257 2.669 50 0 BFAARN O=C(NCCc1ccc(F)cc1)c1ccccc1 ZINC000006529141 182201765 /nfs/dbraw/zinc/20/17/65/182201765.db2.gz CALPWAKBDGJTPG-UHFFFAOYSA-N 0 0 243.281 2.798 50 0 BFAARN Cc1cc(C(=O)NCCc2ccccc2)c(C)o1 ZINC000009314356 373926749 /nfs/dbraw/zinc/92/67/49/373926749.db2.gz YJVZHMWITHDVIT-UHFFFAOYSA-N 0 0 243.306 2.869 50 0 BFAARN O=C(NCCc1ccccc1)c1ccsc1 ZINC000012932885 182204822 /nfs/dbraw/zinc/20/48/22/182204822.db2.gz QRECOVIQPPYVDR-UHFFFAOYSA-N 0 0 231.320 2.721 50 0 BFAARN O=C(NCCc1ccccc1F)C1CCCC1 ZINC000036396975 182205061 /nfs/dbraw/zinc/20/50/61/182205061.db2.gz YJXHZKXLYMSCMC-UHFFFAOYSA-N 0 0 235.302 2.675 50 0 BFAARN O=C1NC(=O)C(=CC=Cc2ccccc2)S1 ZINC000009332771 373977524 /nfs/dbraw/zinc/97/75/24/373977524.db2.gz XABHYXPBBJGVRA-DAAQNPAKSA-N 0 0 231.276 2.567 50 0 BFAARN CC(C)C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000041421370 374140288 /nfs/dbraw/zinc/14/02/88/374140288.db2.gz NWYKBEGZNZJPER-OCCSQVGLSA-N 0 0 247.338 2.631 50 0 BFAARN O=C(NCc1ccc(F)cc1)c1cccs1 ZINC000002912781 182250535 /nfs/dbraw/zinc/25/05/35/182250535.db2.gz MXQYPMNMVLKJSO-UHFFFAOYSA-N 0 0 235.283 2.817 50 0 BFAARN O=C(NCc1ccco1)c1cccc(Cl)c1 ZINC000000059330 182263448 /nfs/dbraw/zinc/26/34/48/182263448.db2.gz GVNMWSWETMWSQV-UHFFFAOYSA-N 0 0 235.670 2.863 50 0 BFAARN CC(=O)N[C@H](C)c1ccccc1Br ZINC000042162894 374252459 /nfs/dbraw/zinc/25/24/59/374252459.db2.gz VZHBWZBVAVLOLV-SSDOTTSWSA-N 0 0 242.116 2.646 50 0 BFAARN O=C(NCc1cccs1)c1ccsc1 ZINC000013019586 182264428 /nfs/dbraw/zinc/26/44/28/182264428.db2.gz FUOGZVKWJZEVSX-UHFFFAOYSA-N 0 0 223.322 2.740 50 0 BFAARN O=C(NCc1cccs1)c1cccc(F)c1 ZINC000000375576 182264642 /nfs/dbraw/zinc/26/46/42/182264642.db2.gz JNLGDYMPWBZUDS-UHFFFAOYSA-N 0 0 235.283 2.817 50 0 BFAARN O=C(NCc1ccccc1)NCc1ccccc1 ZINC000000084096 182255872 /nfs/dbraw/zinc/25/58/72/182255872.db2.gz KATOLVAXCGIBLO-UHFFFAOYSA-N 0 0 240.306 2.686 50 0 in-vivo BFAARN O=C(NCc1ccccc1)[C@H]1CC=CCC1 ZINC000040457519 182256079 /nfs/dbraw/zinc/25/60/79/182256079.db2.gz NYFZHOMYYBOKHW-ZDUSSCGKSA-N 0 0 215.296 2.659 50 0 BFAARN O=C(NCc1ccccc1)c1ccc(F)cc1 ZINC000000347235 182257317 /nfs/dbraw/zinc/25/73/17/182257317.db2.gz XCRBOSJQBAFSMZ-UHFFFAOYSA-N 0 0 229.254 2.756 50 0 BFAARN CC(C)CCC(=O)Nc1nnc(C2CC2)s1 ZINC000009750304 374237701 /nfs/dbraw/zinc/23/77/01/374237701.db2.gz GSRUQZCMTSGWOO-UHFFFAOYSA-N 0 0 239.344 2.790 50 0 BFAARN O=C(NCc1cccnc1)c1cccc(Cl)c1 ZINC000000362967 182261124 /nfs/dbraw/zinc/26/11/24/182261124.db2.gz XGKWTYNJLCEKCT-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN O=C(NCc1ccco1)c1cc2ccccc2o1 ZINC000000037938 182262593 /nfs/dbraw/zinc/26/25/93/182262593.db2.gz KHXYMKAYAUKIKZ-UHFFFAOYSA-N 0 0 241.246 2.956 50 0 BFAARN O=C(NCc1ccoc1)Nc1ccccc1 ZINC000047687108 182267198 /nfs/dbraw/zinc/26/71/98/182267198.db2.gz HGXUTVDDEDVGOZ-UHFFFAOYSA-N 0 0 216.240 2.601 50 0 BFAARN C/C(=C\C(=O)N(C)C)c1ccccc1Cl ZINC000096035648 206044216 /nfs/dbraw/zinc/04/42/16/206044216.db2.gz JJGGEIVFCRIHHL-CMDGGOBGSA-N 0 0 223.703 2.832 50 0 BFAARN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC1 ZINC000222030639 182311358 /nfs/dbraw/zinc/31/13/58/182311358.db2.gz XUJCZHUPQVBGRA-RAIGVLPGSA-N 0 0 221.344 2.872 50 0 BFAARN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1 ZINC000084544030 182310145 /nfs/dbraw/zinc/31/01/45/182310145.db2.gz XUJCZHUPQVBGRA-WCFLWFBJSA-N 0 0 221.344 2.872 50 0 BFAARN O=C(Nc1cc(F)ccc1F)N1CCCC1 ZINC000043237012 182350437 /nfs/dbraw/zinc/35/04/37/182350437.db2.gz NAMUOPKJAVCZPX-UHFFFAOYSA-N 0 0 226.226 2.593 50 0 BFAARN O=C(Nc1ccc(Cl)cc1)Nc1cnccn1 ZINC000000984048 182352248 /nfs/dbraw/zinc/35/22/48/182352248.db2.gz NQHFHFYENWVAMG-UHFFFAOYSA-N 0 0 248.673 2.774 50 0 BFAARN O=C(Nc1ccc(Cl)cc1)NC1CC1 ZINC000000409630 182352598 /nfs/dbraw/zinc/35/25/98/182352598.db2.gz NAWINKOQQUXUFD-UHFFFAOYSA-N 0 0 210.664 2.624 50 0 BFAARN O=C(Nc1ccc(Cl)cc1O)C1CC=CC1 ZINC000095974038 182353554 /nfs/dbraw/zinc/35/35/54/182353554.db2.gz SVCHCKMKFVMZPC-UHFFFAOYSA-N 0 0 237.686 2.950 50 0 BFAARN O=C(Nc1ccc(Cl)cc1)c1ccncc1 ZINC000000209935 182353786 /nfs/dbraw/zinc/35/37/86/182353786.db2.gz QXVSZZRIGDEOOB-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1ccc(F)c(F)c1)c1ccco1 ZINC000000183735 182355063 /nfs/dbraw/zinc/35/50/63/182355063.db2.gz MBOYTMAGCRFFIR-UHFFFAOYSA-N 0 0 223.178 2.810 50 0 BFAARN O=C(Nc1ccc(F)c(F)c1F)C(F)(F)F ZINC000000063065 182355383 /nfs/dbraw/zinc/35/53/83/182355383.db2.gz XXLFQRMXNJNQLC-UHFFFAOYSA-N 0 0 243.106 2.605 50 0 BFAARN O=C(Nc1ccc(F)cc1)C1CCCC1 ZINC000000461759 182355550 /nfs/dbraw/zinc/35/55/50/182355550.db2.gz YNJLHWDFOSHACZ-UHFFFAOYSA-N 0 0 207.248 2.954 50 0 BFAARN O=C(Nc1ccc(F)cc1Cl)NC1CC1 ZINC000043263331 182357251 /nfs/dbraw/zinc/35/72/51/182357251.db2.gz JZMJWSKYPHDRRE-UHFFFAOYSA-N 0 0 228.654 2.763 50 0 BFAARN O=C(Nc1cc(F)ccc1O)c1ccsc1 ZINC000098018453 182349679 /nfs/dbraw/zinc/34/96/79/182349679.db2.gz KNSOSEBNEBZWLZ-UHFFFAOYSA-N 0 0 237.255 2.845 50 0 BFAARN O=C(Nc1ccc2c(c1)CCN2)C1CCCC1 ZINC000063188072 182363650 /nfs/dbraw/zinc/36/36/50/182363650.db2.gz FWVLIESVHDQLQF-UHFFFAOYSA-N 0 0 230.311 2.783 50 0 BFAARN O=C(Nc1ccc2c(c1)CCO2)c1cccs1 ZINC000027133150 182363923 /nfs/dbraw/zinc/36/39/23/182363923.db2.gz LDOVRDWTAWAXDG-UHFFFAOYSA-N 0 0 245.303 2.935 50 0 BFAARN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC=CCC1 ZINC000007597966 182365480 /nfs/dbraw/zinc/36/54/80/182365480.db2.gz RVHJYAWBGREYDM-JTQLQIEISA-N 0 0 245.278 2.710 50 0 BFAARN O=C(Nc1cccc(C(F)F)c1)NC1CC1 ZINC000171390119 182366321 /nfs/dbraw/zinc/36/63/21/182366321.db2.gz CJIXSAUOUAJTSW-UHFFFAOYSA-N 0 0 226.226 2.908 50 0 BFAARN O=C(Nc1cccc(F)c1)Nc1ccccn1 ZINC000000275359 182370147 /nfs/dbraw/zinc/37/01/47/182370147.db2.gz BBFOGQDWMVJADJ-UHFFFAOYSA-N 0 0 231.230 2.865 50 0 BFAARN O=C(Nc1cccc2c[nH]nc21)[C@H]1CC=CCC1 ZINC000025713067 182373315 /nfs/dbraw/zinc/37/33/15/182373315.db2.gz UWFYEHSTWVABHR-JTQLQIEISA-N 0 0 241.294 2.858 50 0 BFAARN O=C(Nc1ccon1)c1csc2c1CCCC2 ZINC000001002479 182390168 /nfs/dbraw/zinc/39/01/68/182390168.db2.gz OQHBHRHNSIGOFY-UHFFFAOYSA-N 0 0 248.307 2.867 50 0 BFAARN O=C(Nc1ccccc1F)N1CCCCC1 ZINC000001752740 182379709 /nfs/dbraw/zinc/37/97/09/182379709.db2.gz COTSEKUIURHOLH-UHFFFAOYSA-N 0 0 222.263 2.844 50 0 BFAARN O=C(Nc1ccccc1O)c1ccc(F)cc1 ZINC000000362824 182379954 /nfs/dbraw/zinc/37/99/54/182379954.db2.gz MAZZJCMNIVMKEF-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1ccccc1O)c1ccsc1 ZINC000044891932 182381126 /nfs/dbraw/zinc/38/11/26/182381126.db2.gz ORODLGGESDUACK-UHFFFAOYSA-N 0 0 219.265 2.706 50 0 BFAARN O=C(Nc1ccccn1)c1ccccc1Cl ZINC000000242266 182382767 /nfs/dbraw/zinc/38/27/67/182382767.db2.gz MCECBHOZVSWERU-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1cccnc1)c1cc2c(s1)CCC2 ZINC000024332476 182384326 /nfs/dbraw/zinc/38/43/26/182384326.db2.gz RINDLFGQKZSKCG-UHFFFAOYSA-N 0 0 244.319 2.884 50 0 BFAARN O=C(Nc1cccnc1)NC1CCCCCC1 ZINC000048388439 182384353 /nfs/dbraw/zinc/38/43/53/182384353.db2.gz QJLWDWGTXSFXKC-UHFFFAOYSA-N 0 0 233.315 2.926 50 0 BFAARN O=C(Nc1cccnc1)NC1CCCCC1 ZINC000000124842 182384374 /nfs/dbraw/zinc/38/43/74/182384374.db2.gz HXUVJFGSTOIWDQ-UHFFFAOYSA-N 0 0 219.288 2.536 50 0 BFAARN O=C(Nc1cccnc1Cl)c1ccco1 ZINC000003163019 182384725 /nfs/dbraw/zinc/38/47/25/182384725.db2.gz ZKLMQPVZHSPAGU-UHFFFAOYSA-N 0 0 222.631 2.580 50 0 BFAARN O=C(Nc1ccnc2ccccc21)C1CC1 ZINC000006616384 182384956 /nfs/dbraw/zinc/38/49/56/182384956.db2.gz SLXKDOXNGDHWFF-UHFFFAOYSA-N 0 0 212.252 2.583 50 0 BFAARN O=C(Nc1ccnc2ccccc21)c1ccncc1 ZINC000018192359 182385760 /nfs/dbraw/zinc/38/57/60/182385760.db2.gz HWHZGIHPLDCWKD-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1ccncc1)Nc1cccc(F)c1 ZINC000015973878 182386000 /nfs/dbraw/zinc/38/60/00/182386000.db2.gz LBYBSZMNUDFXEU-UHFFFAOYSA-N 0 0 231.230 2.865 50 0 BFAARN O=C(Nc1ccncc1)[C@@H]1CC12CCCC2 ZINC000019112825 182386767 /nfs/dbraw/zinc/38/67/67/182386767.db2.gz CQOLSSNIVQBXQF-NSHDSACASA-N 0 0 216.284 2.600 50 0 BFAARN O=C(Nc1ccncc1)c1ccc2ccccc2n1 ZINC000008728760 182387202 /nfs/dbraw/zinc/38/72/02/182387202.db2.gz NNSMVINBYLSQHF-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1nc2c(s1)CCC2)c1ccccc1 ZINC000006595472 182397496 /nfs/dbraw/zinc/39/74/96/182397496.db2.gz HYSSQXWOGJSEOO-UHFFFAOYSA-N 0 0 244.319 2.884 50 0 BFAARN O=C(Nc1nc2ccccc2[nH]1)[C@H]1CC=CCC1 ZINC000006657554 182397576 /nfs/dbraw/zinc/39/75/76/182397576.db2.gz UIKQDARYVMXTGF-JTQLQIEISA-N 0 0 241.294 2.858 50 0 BFAARN O=C(Nc1ncccc1Cl)[C@@H]1C[C@@H]1C1CC1 ZINC000097046949 182399437 /nfs/dbraw/zinc/39/94/37/182399437.db2.gz CJKHKRZLNASZQB-RKDXNWHRSA-N 0 0 236.702 2.720 50 0 BFAARN CCCCNc1ccc(C(N)=O)c(Cl)c1 ZINC000037121425 168879088 /nfs/dbraw/zinc/87/90/88/168879088.db2.gz YVJPHHGQZVRYBQ-UHFFFAOYSA-N 0 0 226.707 2.651 50 0 BFAARN O=C(c1ncco1)c1cccc(Cl)c1 ZINC000085651115 182671622 /nfs/dbraw/zinc/67/16/22/182671622.db2.gz CKAUXCIIFHVJIO-UHFFFAOYSA-N 0 0 207.616 2.559 50 0 BFAARN O=C(c1ccoc1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000089885121 182693355 /nfs/dbraw/zinc/69/33/55/182693355.db2.gz CCODRBOBKCJIRQ-PHIMTYICSA-N 0 0 219.284 2.542 50 0 BFAARN CCCCOCCCNC(=O)c1cccs1 ZINC000002989453 168896213 /nfs/dbraw/zinc/89/62/13/168896213.db2.gz LMDNZTVXVBATOQ-UHFFFAOYSA-N 0 0 241.356 2.685 50 0 BFAARN O=C(c1csc(Cl)c1)N1CCCC1 ZINC000188900268 182704873 /nfs/dbraw/zinc/70/48/73/182704873.db2.gz LGKRGJZMAWQPIE-UHFFFAOYSA-N 0 0 215.705 2.638 50 0 BFAARN O=C1CCOc2cc(F)cc(Br)c21 ZINC000238610076 182744625 /nfs/dbraw/zinc/74/46/25/182744625.db2.gz HAVWPXAFESISPA-UHFFFAOYSA-N 0 0 245.047 2.553 50 0 BFAARN O=C1CCOc2c(Cl)cc(Cl)cc21 ZINC000012760926 182745230 /nfs/dbraw/zinc/74/52/30/182745230.db2.gz PBMKIOZLCMKUDO-UHFFFAOYSA-N 0 0 217.051 2.959 50 0 BFAARN O=C1Cc2c(cc(Cl)cc2Br)N1 ZINC000228984201 182787039 /nfs/dbraw/zinc/78/70/39/182787039.db2.gz MXNURYKCRIDPNM-UHFFFAOYSA-N 0 0 246.491 2.597 50 0 BFAARN O=C1Nc2cc(C(F)(F)F)ccc2C12CC2 ZINC000085483154 182822212 /nfs/dbraw/zinc/82/22/12/182822212.db2.gz CSJYICAUMKEQRH-UHFFFAOYSA-N 0 0 227.185 2.689 50 0 BFAARN O=C1c2ccccc2CN1c1ccccc1 ZINC000000364176 182845472 /nfs/dbraw/zinc/84/54/72/182845472.db2.gz FIWLYGQHSKZFAQ-UHFFFAOYSA-N 0 0 209.248 2.847 50 0 BFAARN O=C1Nc2ccccc2[C@H]1Cc1cccc(O)c1 ZINC000040312972 182826100 /nfs/dbraw/zinc/82/61/00/182826100.db2.gz ASRYUDWOWCSVEL-CYBMUJFWSA-N 0 0 239.274 2.671 50 0 biogenic BFAARN O=C1O[C@H](c2ccccc2)Nc2ccccc21 ZINC000000410040 182837491 /nfs/dbraw/zinc/83/74/91/182837491.db2.gz LRICLHSLMATMQM-CYBMUJFWSA-N 0 0 225.247 2.968 50 0 BFAARN O=Cc1c2cc(O)ccc2oc1C1CC1 ZINC000029753663 182858376 /nfs/dbraw/zinc/85/83/76/182858376.db2.gz KEAXHKGDLMGQGA-UHFFFAOYSA-N 0 0 202.209 2.828 50 0 BFAARN O=Cc1c(-c2ccccc2)nc2sccn12 ZINC000000168229 182858642 /nfs/dbraw/zinc/85/86/42/182858642.db2.gz RRHHDLZBYCPJAW-UHFFFAOYSA-N 0 0 228.276 2.875 50 0 BFAARN O=Cc1c[nH]c2cc(F)c(Br)cc12 ZINC000095933583 182861219 /nfs/dbraw/zinc/86/12/19/182861219.db2.gz HWPRCHLVMBMXDO-UHFFFAOYSA-N 0 0 242.047 2.882 50 0 BFAARN O=Cc1ccc2ncc(Br)cc2c1 ZINC000253496067 182870081 /nfs/dbraw/zinc/87/00/81/182870081.db2.gz APMWGLGWAYESOM-UHFFFAOYSA-N 0 0 236.068 2.810 50 0 BFAARN O=Cc1nnn(-c2ccccc2)c1-c1ccccc1 ZINC000001710449 182877462 /nfs/dbraw/zinc/87/74/62/182877462.db2.gz DTEDBAVDZJBNOJ-UHFFFAOYSA-N 0 0 249.273 2.747 50 0 BFAARN CCCCOc1ccc(NC(C)=O)cc1 ZINC000001787818 168917822 /nfs/dbraw/zinc/91/78/22/168917822.db2.gz JYMFGHFNWSMPBP-UHFFFAOYSA-N 0 0 207.273 2.824 50 0 BFAARN O=[N+]([O-])/C=C/c1cscc1Br ZINC000000334100 182919053 /nfs/dbraw/zinc/91/90/53/182919053.db2.gz SROBJKYKPZNFIX-OWOJBTEDSA-N 0 0 234.074 2.758 50 0 BFAARN CCCCS(=O)(=O)Cc1ccc(F)cc1 ZINC000071185626 168921917 /nfs/dbraw/zinc/92/19/17/168921917.db2.gz RIGHYIVAIGTLAE-UHFFFAOYSA-N 0 0 230.304 2.541 50 0 BFAARN O=c1[nH]c(-c2ccccc2)nc2ccccc21 ZINC000017917305 182968792 /nfs/dbraw/zinc/96/87/92/182968792.db2.gz VDULOAUXSMYUMG-UHFFFAOYSA-N 0 0 222.247 2.590 50 0 biogenic,in-vitro BFAARN O=c1[nH]c(Cc2ccccc2)nc2ccccc21 ZINC000013570997 182971222 /nfs/dbraw/zinc/97/12/22/182971222.db2.gz ZDUVLDCZFKNYHH-UHFFFAOYSA-N 0 0 236.274 2.514 50 0 endogenous,in-man BFAARN O=c1ccoc2cc(Br)ccc12 ZINC000044604201 183007255 /nfs/dbraw/zinc/00/72/55/183007255.db2.gz WWAOCYNUAWVKGQ-UHFFFAOYSA-N 0 0 225.041 2.556 50 0 BFAARN O=c1ncc(-c2cccc3ccccc32)c[nH]1 ZINC000032523810 183011517 /nfs/dbraw/zinc/01/15/17/183011517.db2.gz YYZLHHQCUOWSSH-UHFFFAOYSA-N 0 0 222.247 2.590 50 0 BFAARN OC1CCC(Nc2nc3ccccc3o2)CC1 ZINC000025249602 183029558 /nfs/dbraw/zinc/02/95/58/183029558.db2.gz BQSNDWWCACSSGZ-UHFFFAOYSA-N 0 0 232.283 2.543 50 0 BFAARN O=c1scnn1Cc1cccc2ccccc21 ZINC000097165107 183013915 /nfs/dbraw/zinc/01/39/15/183013915.db2.gz NUOAGZIGSJEBBU-UHFFFAOYSA-N 0 0 242.303 2.506 50 0 BFAARN OC1(CNc2ccccn2)CCCCCC1 ZINC000079618105 183021301 /nfs/dbraw/zinc/02/13/01/183021301.db2.gz PSBAYTMPLKCDSN-UHFFFAOYSA-N 0 0 220.316 2.579 50 0 BFAARN OC1(CNc2nc3ccccc3s2)CCC1 ZINC000078601579 183021577 /nfs/dbraw/zinc/02/15/77/183021577.db2.gz FWYLWRAAWFZJHM-UHFFFAOYSA-N 0 0 234.324 2.623 50 0 BFAARN O=C1C[C@H](c2ccsc2)c2c[nH]nc2N1 ZINC000020720251 183026124 /nfs/dbraw/zinc/02/61/24/183026124.db2.gz PAAWFJLZGAZDKF-SSDOTTSWSA-N 0 0 219.269 2.595 50 0 BFAARN OCC1c2ccccc2Oc2ccccc21 ZINC000000133157 183040787 /nfs/dbraw/zinc/04/07/87/183040787.db2.gz XODHGYGQZLHGJZ-UHFFFAOYSA-N 0 0 212.248 2.917 50 0 BFAARN OCCCCCOc1ccc(Cl)cc1 ZINC000002512571 183049030 /nfs/dbraw/zinc/04/90/30/183049030.db2.gz RPTVYVVKNVSHMI-UHFFFAOYSA-N 0 0 214.692 2.881 50 0 BFAARN CCCC[C@H](CC)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000017820227 168994030 /nfs/dbraw/zinc/99/40/30/168994030.db2.gz MVHPIEABOOAVTC-XQQFMLRXSA-N 0 0 241.375 2.839 50 0 BFAARN OCCSc1ccc(Br)cc1 ZINC000003634440 183089556 /nfs/dbraw/zinc/08/95/56/183089556.db2.gz UWGLQIQQBTXBCJ-UHFFFAOYSA-N 0 0 233.130 2.534 50 0 BFAARN CCOCCSc1ccc(OC)cc1 ZINC000096024784 170424630 /nfs/dbraw/zinc/42/46/30/170424630.db2.gz TYWUOSCQRHOJMJ-UHFFFAOYSA-N 0 0 212.314 2.824 50 0 BFAARN CCCCc1cc(NC(=O)C2CC=CC2)on1 ZINC000096449778 169018335 /nfs/dbraw/zinc/01/83/35/169018335.db2.gz VNJPOJQYBSTQRO-UHFFFAOYSA-N 0 0 234.299 2.922 50 0 BFAARN CCCCc1ccc(NC(=O)COC)cc1 ZINC000002735132 169020101 /nfs/dbraw/zinc/02/01/01/169020101.db2.gz CGTKVNGEMXUELC-UHFFFAOYSA-N 0 0 221.300 2.614 50 0 BFAARN CCCCc1nc2cc(CC(=O)OC)ccc2o1 ZINC000002547882 169027945 /nfs/dbraw/zinc/02/79/45/169027945.db2.gz YOUPSOBOVABQRX-UHFFFAOYSA-N 0 0 247.294 2.886 50 0 BFAARN OCc1cc(Br)ccc1Cl ZINC000000403429 183160578 /nfs/dbraw/zinc/16/05/78/183160578.db2.gz SCHBQPIVMBDOQF-UHFFFAOYSA-N 0 0 221.481 2.595 50 0 BFAARN OCc1cc(OC(F)(F)F)ccc1Cl ZINC000095642848 183161569 /nfs/dbraw/zinc/16/15/69/183161569.db2.gz RLHLFOJWVMTCMC-UHFFFAOYSA-N 0 0 226.581 2.731 50 0 BFAARN OCc1cc(Cl)ccc1OCC1CC1 ZINC000036765464 183161930 /nfs/dbraw/zinc/16/19/30/183161930.db2.gz LTHOOMVEJZUBNB-UHFFFAOYSA-N 0 0 212.676 2.621 50 0 BFAARN OCc1ccc(Oc2ccccc2)cc1 ZINC000000346020 183165995 /nfs/dbraw/zinc/16/59/95/183165995.db2.gz FEOMFFKZOZMBKD-UHFFFAOYSA-N 0 0 200.237 2.971 50 0 BFAARN OCc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC000058011322 183166324 /nfs/dbraw/zinc/16/63/24/183166324.db2.gz OJYMOHXXGCNJGW-UHFFFAOYSA-N 0 0 239.318 2.695 50 0 BFAARN OCc1cn(-c2ccccc2)nc1-c1ccco1 ZINC000000446075 183169559 /nfs/dbraw/zinc/16/95/59/183169559.db2.gz UWMKSOAHWGYKCD-UHFFFAOYSA-N 0 0 240.262 2.625 50 0 BFAARN O[C@@H](c1ccc(Cl)cc1F)C1CC1 ZINC000070735943 183184724 /nfs/dbraw/zinc/18/47/24/183184724.db2.gz GOFWTQNPGNZQSH-SNVBAGLBSA-N 0 0 200.640 2.923 50 0 BFAARN O[C@@H](c1cncc(F)c1)C1CCCCC1 ZINC000049577110 183186894 /nfs/dbraw/zinc/18/68/94/183186894.db2.gz MVIKMCVCOLTJTA-GFCCVEGCSA-N 0 0 209.264 2.834 50 0 BFAARN O[C@H](COc1ccccc1)c1ccccc1 ZINC000014651615 183225951 /nfs/dbraw/zinc/22/59/51/183225951.db2.gz GSBICRJXEDSPTE-CQSZACIVSA-N 0 0 214.264 2.799 50 0 BFAARN O[C@H](Cc1cccc(Cl)c1)C(F)(F)F ZINC000061893939 183227428 /nfs/dbraw/zinc/22/74/28/183227428.db2.gz SVEIEDFKSFGRES-MRVPVSSYSA-N 0 0 224.609 2.806 50 0 BFAARN O[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000001592589 183228502 /nfs/dbraw/zinc/22/85/02/183228502.db2.gz DONAZKZEGGHKRH-SSDOTTSWSA-N 0 0 210.582 2.936 50 0 BFAARN O[C@H](c1cccc2cc[nH]c21)C(F)(F)F ZINC000066338896 183229701 /nfs/dbraw/zinc/22/97/01/183229701.db2.gz OCSJDSSFVBWSFW-SECBINFHSA-N 0 0 215.174 2.764 50 0 BFAARN O[C@@H](c1c[nH]c2ccccc21)c1ccncc1 ZINC000000161467 183230394 /nfs/dbraw/zinc/23/03/94/183230394.db2.gz RKZFVUCRFYYPKI-CQSZACIVSA-N 0 0 224.263 2.645 50 0 BFAARN O[C@H]1CCCc2c(Br)cccc21 ZINC000040443054 183238501 /nfs/dbraw/zinc/23/85/01/183238501.db2.gz JEDJGVSGTZKGFJ-JTQLQIEISA-N 0 0 227.101 2.819 50 0 BFAARN O[C@H]1CCSc2ccc(Cl)cc21 ZINC000000107924 183241458 /nfs/dbraw/zinc/24/14/58/183241458.db2.gz KGOKMXKVFZSSOE-QMMMGPOBSA-N 0 0 200.690 2.869 50 0 BFAARN O[C@H]1CCc2ccc(C(F)(F)F)cc21 ZINC000095835665 183242378 /nfs/dbraw/zinc/24/23/78/183242378.db2.gz JAICRPHZHDNVQL-VIFPVBQESA-N 0 0 202.175 2.685 50 0 BFAARN O[C@@]12Cc3ccccc3[C@H]3[C@@H]1[C@H]3c1ccccc12 ZINC000247704983 183253043 /nfs/dbraw/zinc/25/30/43/183253043.db2.gz CWPZWBPNJQBXLL-YYIAUSFCSA-N 0 0 234.298 2.941 50 0 BFAARN Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 ZINC000000006787 183265460 /nfs/dbraw/zinc/26/54/60/183265460.db2.gz LUKBXSAWLPMMSZ-OWOJBTEDSA-N 0 0 228.247 2.974 50 0 endogenous,world BFAARN Oc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000225391623 183266090 /nfs/dbraw/zinc/26/60/90/183266090.db2.gz QOYMGIHYTZGPQT-UHFFFAOYSA-N 0 0 214.268 2.592 50 0 BFAARN Oc1ccc(C[C@@H]2COc3ccccc3C2)nc1 ZINC000091746108 183271841 /nfs/dbraw/zinc/27/18/41/183271841.db2.gz WFJCDHPVAYLBCS-LLVKDONJSA-N 0 0 241.290 2.581 50 0 BFAARN CCCN(CCC)C(=O)Cc1ccc(OC)cc1 ZINC000000029534 169141874 /nfs/dbraw/zinc/14/18/74/169141874.db2.gz VRJIWMKWVUPAGD-UHFFFAOYSA-N 0 0 249.354 2.886 50 0 BFAARN Oc1cc(Cl)ccc1Br ZINC000002512340 183259116 /nfs/dbraw/zinc/25/91/16/183259116.db2.gz FMRKYXVZQWHGDA-UHFFFAOYSA-N 0 0 207.454 2.808 50 0 BFAARN CCCN(CCC)C(=O)c1ccnc(Cl)c1 ZINC000019813431 169145460 /nfs/dbraw/zinc/14/54/60/169145460.db2.gz XJTAJPXZSQYWFS-UHFFFAOYSA-N 0 0 240.734 2.997 50 0 BFAARN Oc1ccc(-c2cccc(-n3cnnc3)c2)cc1 ZINC000067675255 183263869 /nfs/dbraw/zinc/26/38/69/183263869.db2.gz RUXQWQZNNOTFEI-UHFFFAOYSA-N 0 0 237.262 2.640 50 0 BFAARN CCCN(CCC)c1cncc(Cl)n1 ZINC000016124183 169154074 /nfs/dbraw/zinc/15/40/74/169154074.db2.gz HMNZCTNOQCOMKF-UHFFFAOYSA-N 0 0 213.712 2.756 50 0 BFAARN Oc1cccc(NC(=S)Nc2cccnc2)c1 ZINC000008682918 183293273 /nfs/dbraw/zinc/29/32/73/183293273.db2.gz SQIHIZYNGDSNRH-UHFFFAOYSA-N 0 0 245.307 2.596 50 0 BFAARN Oc1cccc([C@@H](O)c2ccc(F)cc2)c1 ZINC000075871957 183293898 /nfs/dbraw/zinc/29/38/98/183293898.db2.gz AFIUEJLTADFMAR-ZDUSSCGKSA-N 0 0 218.227 2.613 50 0 BFAARN O=c1cccc2c(Br)c[nH]cc1-2 ZINC000250009328 183294275 /nfs/dbraw/zinc/29/42/75/183294275.db2.gz GXOYPNNECSMYNC-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Oc1cccc2c(Br)ccnc12 ZINC000001856922 183294847 /nfs/dbraw/zinc/29/48/47/183294847.db2.gz CNBUFEUMIIGYIU-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN O=c1cccc2[nH]cc(C(F)(F)F)cc1-2 ZINC000059870935 183297817 /nfs/dbraw/zinc/29/78/17/183297817.db2.gz WITKYAAQTYOHMS-UHFFFAOYSA-N 0 0 213.158 2.959 50 0 BFAARN S=c1[nH]nc(C=Cc2cccs2)[nH]1 ZINC000012505279 183314986 /nfs/dbraw/zinc/31/49/86/183314986.db2.gz ZSJRVSLDYPQLLA-ONEGZZNKSA-N 0 0 209.299 2.699 50 0 BFAARN S=c1[nH]cnc2c3ccccc3[nH]c21 ZINC000013111878 183315138 /nfs/dbraw/zinc/31/51/38/183315138.db2.gz YMNTVDMKBNZRJH-UHFFFAOYSA-N 0 0 201.254 2.774 50 0 BFAARN CCCN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000089958991 169182522 /nfs/dbraw/zinc/18/25/22/169182522.db2.gz LRANLCNIIWRQAJ-UHFFFAOYSA-N 0 0 247.747 2.516 50 0 BFAARN c1c[nH]c(SCc2noc3c2CCCC3)n1 ZINC000098013839 183326800 /nfs/dbraw/zinc/32/68/00/183326800.db2.gz WEMKPPACHOTATG-UHFFFAOYSA-N 0 0 235.312 2.569 50 0 BFAARN c1c[nH]c(COCCCCC2CCOCC2)n1 ZINC000253419668 183327882 /nfs/dbraw/zinc/32/78/82/183327882.db2.gz FKUKBTFVPNFFPN-UHFFFAOYSA-N 0 0 238.331 2.523 50 0 BFAARN O=c1[nH]oc2cc(Cl)c(Cl)cc12 ZINC000038325340 183310553 /nfs/dbraw/zinc/31/05/53/183310553.db2.gz IEAQWYJSDRWQBA-UHFFFAOYSA-N 0 0 204.012 2.840 50 0 BFAARN S=C(NC1CC1)N[C@@H]1CCCc2ccccc21 ZINC000002643132 183310915 /nfs/dbraw/zinc/31/09/15/183310915.db2.gz AESGCLUMDXCWSQ-CYBMUJFWSA-N 0 0 246.379 2.691 50 0 BFAARN S=C(NCCc1ccccc1)N1CCCCC1 ZINC000002832836 183311029 /nfs/dbraw/zinc/31/10/29/183311029.db2.gz MGICFDHZUDIPGA-UHFFFAOYSA-N 0 0 248.395 2.590 50 0 BFAARN S=C(Nc1ccccc1Cl)NC1CC1 ZINC000000450495 183311545 /nfs/dbraw/zinc/31/15/45/183311545.db2.gz KSQYQQIOUAPSCL-UHFFFAOYSA-N 0 0 226.732 2.789 50 0 BFAARN S=C(NCc1cccnc1)c1ccccc1 ZINC000000097446 183311691 /nfs/dbraw/zinc/31/16/91/183311691.db2.gz DLRDKFCFIJLYLT-UHFFFAOYSA-N 0 0 228.320 2.547 50 0 BFAARN S=C(Nc1ccccc1)Nc1cccnc1 ZINC000000401928 183311733 /nfs/dbraw/zinc/31/17/33/183311733.db2.gz WEBCASPSGDNATE-UHFFFAOYSA-N 0 0 229.308 2.891 50 0 BFAARN S=C1Nc2cccnc2Nc2ccccc21 ZINC000038478025 183313403 /nfs/dbraw/zinc/31/34/03/183313403.db2.gz DAMKLONWIZWQBU-UHFFFAOYSA-N 0 0 227.292 2.926 50 0 BFAARN CCCNC(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000024545531 169232674 /nfs/dbraw/zinc/23/26/74/169232674.db2.gz FFKIOGDICAKAPS-UHFFFAOYSA-N 0 0 248.301 2.684 50 0 BFAARN CCCNC(=O)CSc1ccc(Cl)cc1 ZINC000049535253 169232774 /nfs/dbraw/zinc/23/27/74/169232774.db2.gz NGODCPVDWKDXOD-UHFFFAOYSA-N 0 0 243.759 2.958 50 0 BFAARN CCCN1CCSc2sccc2C1=O ZINC000005793357 169205653 /nfs/dbraw/zinc/20/56/53/169205653.db2.gz CVTHLOAPDWGWCW-UHFFFAOYSA-N 0 0 227.354 2.706 50 0 BFAARN CCCN1CCn2c3ccc(Cl)cc3nc2C1 ZINC000021799919 169210661 /nfs/dbraw/zinc/21/06/61/169210661.db2.gz FQAKBKYXCJUSNE-UHFFFAOYSA-N 0 0 249.745 2.915 50 0 BFAARN c1cc(N2CCCC2)ccc1N1CCCC1 ZINC000005117199 183356276 /nfs/dbraw/zinc/35/62/76/183356276.db2.gz LAHRGLSDDYENEO-UHFFFAOYSA-N 0 0 216.328 2.887 50 0 BFAARN CCCNC(=O)CCSc1ccccc1 ZINC000006264868 169218207 /nfs/dbraw/zinc/21/82/07/169218207.db2.gz BMFOJQVAKPCEAE-UHFFFAOYSA-N 0 0 223.341 2.695 50 0 BFAARN CCCNC(=S)Nc1cccc(F)c1 ZINC000002898966 169254123 /nfs/dbraw/zinc/25/41/23/169254123.db2.gz HMXPPHRUTXJAJG-UHFFFAOYSA-N 0 0 212.293 2.522 50 0 BFAARN CCCNC(=S)Nc1ccccc1CC ZINC000013789122 169254690 /nfs/dbraw/zinc/25/46/90/169254690.db2.gz VCXVVEXHPQQNQY-UHFFFAOYSA-N 0 0 222.357 2.945 50 0 BFAARN c1cc(NC2CCCC2)cc2c1OCO2 ZINC000019966181 183369033 /nfs/dbraw/zinc/36/90/33/183369033.db2.gz QKDPTNZMYOWSLF-UHFFFAOYSA-N 0 0 205.257 2.770 50 0 BFAARN CCCNC(=O)N[C@H](C)c1cccs1 ZINC000002987651 169239252 /nfs/dbraw/zinc/23/92/52/169239252.db2.gz WQZXJOCLGLMHIZ-MRVPVSSYSA-N 0 0 212.318 2.518 50 0 BFAARN CCCNC(=O)Nc1cccc(OC(F)F)c1 ZINC000040540539 169239944 /nfs/dbraw/zinc/23/99/44/169239944.db2.gz OTSXSLVPRCJUOX-UHFFFAOYSA-N 0 0 244.241 2.820 50 0 BFAARN CCCNC(=O)Nc1ccccc1SC ZINC000006699076 169239976 /nfs/dbraw/zinc/23/99/76/169239976.db2.gz CTSUPGMXUIWSES-UHFFFAOYSA-N 0 0 224.329 2.940 50 0 BFAARN CCCNC(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000020489241 169242357 /nfs/dbraw/zinc/24/23/57/169242357.db2.gz MOWQGYZFZCDXDT-GFCCVEGCSA-N 0 0 235.327 2.597 50 0 BFAARN c1ccc(-c2cncc(NCC3CC3)n2)cc1 ZINC000095990521 183380728 /nfs/dbraw/zinc/38/07/28/183380728.db2.gz JUVVREFJTKWFBM-UHFFFAOYSA-N 0 0 225.295 2.966 50 0 BFAARN CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000014401210 169247046 /nfs/dbraw/zinc/24/70/46/169247046.db2.gz DZHTWZLXWWZRKY-VIFPVBQESA-N 0 0 241.718 2.634 50 0 BFAARN c1ccc(-c2nnc(-c3ccccn3)o2)cc1 ZINC000003055708 183383276 /nfs/dbraw/zinc/38/32/76/183383276.db2.gz QIKALNJWTVDPOF-UHFFFAOYSA-N 0 0 223.235 2.799 50 0 BFAARN CCCNC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000020489243 169247607 /nfs/dbraw/zinc/24/76/07/169247607.db2.gz MOWQGYZFZCDXDT-LBPRGKRZSA-N 0 0 235.327 2.597 50 0 BFAARN CCCNC(=O)[C@H](C)Oc1ccccc1CC ZINC000019933279 169247850 /nfs/dbraw/zinc/24/78/50/169247850.db2.gz BLKBXHRCTGDNBR-NSHDSACASA-N 0 0 235.327 2.543 50 0 BFAARN CCCNC(=O)c1ncoc1-c1ccc(C)cc1 ZINC000021044517 169253200 /nfs/dbraw/zinc/25/32/00/169253200.db2.gz KRDFJHQDHFCCBF-UHFFFAOYSA-N 0 0 244.294 2.790 50 0 BFAARN c1ccc(C2=NCCN=C2c2ccccc2)cc1 ZINC000000083904 183389163 /nfs/dbraw/zinc/38/91/63/183389163.db2.gz RKLPQDGVFVQQOT-UHFFFAOYSA-N 0 0 234.302 2.979 50 0 BFAARN CCCOC(=O)Nc1ccc(OC)cc1 ZINC000002166550 169298549 /nfs/dbraw/zinc/29/85/49/169298549.db2.gz DBQISPFSTBONKB-UHFFFAOYSA-N 0 0 209.245 2.654 50 0 BFAARN c1ccc(NCn2nnc3ccccc32)cc1 ZINC000003877930 183417584 /nfs/dbraw/zinc/41/75/84/183417584.db2.gz XEZLZOGOVRJQMO-UHFFFAOYSA-N 0 0 224.267 2.501 50 0 BFAARN CCCOC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000002132224 169300854 /nfs/dbraw/zinc/30/08/54/169300854.db2.gz LSQJNRNIBMXVFW-UHFFFAOYSA-N 0 0 247.294 2.602 50 0 BFAARN CCCOC(=O)c1c(N)sc2c1CCCC2 ZINC000002565520 169301076 /nfs/dbraw/zinc/30/10/76/169301076.db2.gz PADGJVHWIWPICX-UHFFFAOYSA-N 0 0 239.340 2.776 50 0 BFAARN CCCOCC(=O)N(C)c1ccc(C)cc1C ZINC000065556255 169302688 /nfs/dbraw/zinc/30/26/88/169302688.db2.gz IFBJIGLQVVEAID-UHFFFAOYSA-N 0 0 235.327 2.693 50 0 BFAARN c1coc(-c2nc(COc3ccccc3)no2)c1 ZINC000123417938 183420368 /nfs/dbraw/zinc/42/03/68/183420368.db2.gz FOJCLDHCOFXETJ-UHFFFAOYSA-N 0 0 242.234 2.909 50 0 BFAARN CCCOc1cc2c(cc1C=O)O[C@@H](C)C2 ZINC000020283921 169315407 /nfs/dbraw/zinc/31/54/07/169315407.db2.gz KVKAGKNBCAFUSQ-VIFPVBQESA-N 0 0 220.268 2.611 50 0 BFAARN CCCOc1cc(Cl)cnc1OC ZINC000065337501 169315558 /nfs/dbraw/zinc/31/55/58/169315558.db2.gz NEUJOCRUDRDKGS-UHFFFAOYSA-N 0 0 201.653 2.532 50 0 BFAARN CCCOc1ccc(-c2nnc(N)s2)cc1 ZINC000002333492 169316728 /nfs/dbraw/zinc/31/67/28/169316728.db2.gz ACRFARYXBALTIF-UHFFFAOYSA-N 0 0 235.312 2.576 50 0 BFAARN c1ccc2[nH]c(-c3cccc4nonc43)nc2c1 ZINC000097463589 183434516 /nfs/dbraw/zinc/43/45/16/183434516.db2.gz GYHPJKYPWHFAMC-UHFFFAOYSA-N 0 0 236.234 2.766 50 0 BFAARN CCCNc1cccc(Br)n1 ZINC000038537205 169294671 /nfs/dbraw/zinc/29/46/71/169294671.db2.gz GLRFWSGTTISOFP-UHFFFAOYSA-N 0 0 215.094 2.666 50 0 BFAARN CCCNc1ncnc2c(F)cccc12 ZINC000041471117 169296887 /nfs/dbraw/zinc/29/68/87/169296887.db2.gz ZDKXOGOBGQVQDF-UHFFFAOYSA-N 0 0 205.236 2.591 50 0 BFAARN CCCSc1nnc2c3ccccc3ncn12 ZINC000004537015 169341859 /nfs/dbraw/zinc/34/18/59/169341859.db2.gz ICQXBIVUWJTKPN-UHFFFAOYSA-N 0 0 244.323 2.780 50 0 BFAARN CCCSc1nc2ccccc2n1CCO ZINC000002914313 169342418 /nfs/dbraw/zinc/34/24/18/169342418.db2.gz WKTYMMQGLZBPDC-UHFFFAOYSA-N 0 0 236.340 2.531 50 0 BFAARN c1ccc2c(c1)nc1nccc(-c3ccncc3)n21 ZINC000015106141 183455657 /nfs/dbraw/zinc/45/56/57/183455657.db2.gz NWOGCJAHMDWNHU-UHFFFAOYSA-N 0 0 246.273 2.945 50 0 BFAARN c1nc2ccccc2n1Cn1cnc2ccccc21 ZINC000005224880 183456459 /nfs/dbraw/zinc/45/64/59/183456459.db2.gz ZGHDJIGDCZQMGS-UHFFFAOYSA-N 0 0 248.289 2.892 50 0 BFAARN c1ccc2cc(CC3OCCO3)ccc2c1 ZINC000002387696 183456944 /nfs/dbraw/zinc/45/69/44/183456944.db2.gz HRWJWMQNHNCUBX-UHFFFAOYSA-N 0 0 214.264 2.755 50 0 BFAARN c1c[nH]c(Sc2nc3ccccc3o2)n1 ZINC000095403340 183460826 /nfs/dbraw/zinc/46/08/26/183460826.db2.gz AVJKVDHOEYVARO-UHFFFAOYSA-N 0 0 217.253 2.702 50 0 BFAARN CCCOc1ccc2nc(N)sc2c1 ZINC000001791861 169323844 /nfs/dbraw/zinc/32/38/44/169323844.db2.gz QJWBDYBQSKYQKM-UHFFFAOYSA-N 0 0 208.286 2.667 50 0 BFAARN CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000115986937 169334643 /nfs/dbraw/zinc/33/46/43/169334643.db2.gz JUTHAQSZBVIJPB-UHFFFAOYSA-N 0 0 218.705 2.524 50 0 BFAARN CCC[C@@H](C)NC(=O)CCc1ccc(OC)cc1 ZINC000019897715 169367446 /nfs/dbraw/zinc/36/74/46/169367446.db2.gz RLDVRXTYFVXXLG-GFCCVEGCSA-N 0 0 249.354 2.933 50 0 BFAARN CCC[C@@H](C)NC(=O)Cc1cccs1 ZINC000005591416 169368792 /nfs/dbraw/zinc/36/87/92/169368792.db2.gz ZXPQCEHCWKUNSL-SECBINFHSA-N 0 0 211.330 2.595 50 0 BFAARN CCC[C@@H](C)NC(=O)c1cccnc1SC ZINC000012553433 169369213 /nfs/dbraw/zinc/36/92/13/169369213.db2.gz AOXLZCKLJQBXOV-SECBINFHSA-N 0 0 238.356 2.722 50 0 BFAARN CCC[C@@H](C)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000000457014 169353270 /nfs/dbraw/zinc/35/32/70/169353270.db2.gz FVMBDJKRBLOGKH-SNVBAGLBSA-N 0 0 249.310 2.848 50 0 BFAARN c1nc2sc3c(c2c(NC2CC2)n1)CCC3 ZINC000002637308 183534352 /nfs/dbraw/zinc/53/43/52/183534352.db2.gz FABFPKATFPTBFE-UHFFFAOYSA-N 0 0 231.324 2.754 50 0 BFAARN CCC[C@H](C)NC(=O)COc1ccc(C)cc1C ZINC000045966081 169492795 /nfs/dbraw/zinc/49/27/95/169492795.db2.gz WAARHXOEZADDGH-ZDUSSCGKSA-N 0 0 249.354 2.987 50 0 BFAARN CCCc1noc(CCc2scnc2C)n1 ZINC000095380925 169602356 /nfs/dbraw/zinc/60/23/56/169602356.db2.gz JGYIMPUXJOUSCH-UHFFFAOYSA-N 0 0 237.328 2.572 50 0 BFAARN O=C1Nc2ccccc2[C@@H]1Cc1ccccc1 ZINC000000157106 383837059 /nfs/dbraw/zinc/83/70/59/383837059.db2.gz SJEHQYIHAFTLMS-ZDUSSCGKSA-N 0 0 223.275 2.965 50 0 BFAARN Cc1ccc(C(=O)Nc2ccccc2)c(C)n1 ZINC000000173049 383839674 /nfs/dbraw/zinc/83/96/74/383839674.db2.gz LPKWUZHGNNHVAZ-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN CC[C@H](C)c1cc(N)nc2nc3ccccc3n21 ZINC000000173704 383839679 /nfs/dbraw/zinc/83/96/79/383839679.db2.gz OAQPUIQJTUOCCM-VIFPVBQESA-N 0 0 240.310 2.978 50 0 BFAARN COC(=O)/C=C/c1ccc(OC(F)(F)F)cc1 ZINC000000165828 383839726 /nfs/dbraw/zinc/83/97/26/383839726.db2.gz MIVYMUINRMQQIT-QPJJXVBHSA-N 0 0 246.184 2.771 50 0 BFAARN CC1(C)C(C(=O)NCc2ccco2)C1(C)C ZINC000000281946 383851109 /nfs/dbraw/zinc/85/11/09/383851109.db2.gz OWQBKSNEDAEYBI-UHFFFAOYSA-N 0 0 221.300 2.578 50 0 BFAARN Cc1c(Br)ccc2c(=O)cc[nH]c12 ZINC000036075580 383880243 /nfs/dbraw/zinc/88/02/43/383880243.db2.gz ZAVPTOAEDIJTJV-UHFFFAOYSA-N 0 0 238.084 2.599 50 0 BFAARN COC(=O)c1cc(SC)sc1SC ZINC000000334593 383856392 /nfs/dbraw/zinc/85/63/92/383856392.db2.gz DZLFMNNUXRSOMX-UHFFFAOYSA-N 0 0 234.367 2.979 50 0 BFAARN Cc1nnc(NC(=O)CCC2CCCC2)s1 ZINC000000364480 383859605 /nfs/dbraw/zinc/85/96/05/383859605.db2.gz OOJNLPHKFGKYMP-UHFFFAOYSA-N 0 0 239.344 2.755 50 0 BFAARN O=C1CCCN1Cc1ccccc1C(F)(F)F ZINC000072329911 383861019 /nfs/dbraw/zinc/86/10/19/383861019.db2.gz FICPUAIUHGTTFZ-UHFFFAOYSA-N 0 0 243.228 2.828 50 0 BFAARN CCc1ccc2nc(Cl)c(CO)cc2c1 ZINC000000421636 383866529 /nfs/dbraw/zinc/86/65/29/383866529.db2.gz HDTGEZPGGLRXPY-UHFFFAOYSA-N 0 0 221.687 2.943 50 0 BFAARN CC(=O)Oc1c(C)cc(O)c2ccccc21 ZINC000000405913 383866596 /nfs/dbraw/zinc/86/65/96/383866596.db2.gz JPUZRBGFEWQQEW-UHFFFAOYSA-N 0 0 216.236 2.779 50 0 BFAARN CCn1nccc1C(=O)Nc1ccc(C)cc1F ZINC000000469323 383868658 /nfs/dbraw/zinc/86/86/58/383868658.db2.gz RFHQWSQSHNOZEB-UHFFFAOYSA-N 0 0 247.273 2.603 50 0 BFAARN Cc1cc(C)c(OCC(=O)NC(C)C)c(C)c1 ZINC000000458983 383870031 /nfs/dbraw/zinc/87/00/31/383870031.db2.gz QWDDYWAXIVRATI-UHFFFAOYSA-N 0 0 235.327 2.515 50 0 BFAARN CC(=O)Nc1ccccc1N1CCCCC1 ZINC000000570227 383875047 /nfs/dbraw/zinc/87/50/47/383875047.db2.gz GYFZQNLZAYZEGC-UHFFFAOYSA-N 0 0 218.300 2.635 50 0 BFAARN Clc1ccc2c(c1)nccc2N1CCOCC1 ZINC000000572903 383875249 /nfs/dbraw/zinc/87/52/49/383875249.db2.gz KWLAFRCMKAMRKK-UHFFFAOYSA-N 0 0 248.713 2.725 50 0 BFAARN Cc1ccc(C)c(C(=O)NCc2ccccn2)c1 ZINC000000514724 383875561 /nfs/dbraw/zinc/87/55/61/383875561.db2.gz LELFELRXKBXWHQ-UHFFFAOYSA-N 0 0 240.306 2.628 50 0 BFAARN c1n[nH]cc1N[C@H]1CCCc2ccccc21 ZINC000035763705 383876697 /nfs/dbraw/zinc/87/66/97/383876697.db2.gz JSRBXUQRLZWRKC-ZDUSSCGKSA-N 0 0 213.284 2.899 50 0 BFAARN O=C1N[C@@H](c2ccccc2)Nc2ccccc21 ZINC000000115259 383830614 /nfs/dbraw/zinc/83/06/14/383830614.db2.gz BIVGFFFLVZMILM-ZDUSSCGKSA-N 0 0 224.263 2.541 50 0 BFAARN CCCCOC(=O)c1cc2ccccc2oc1=O ZINC000001597140 383908553 /nfs/dbraw/zinc/90/85/53/383908553.db2.gz DNSDRVXHFSEQRO-UHFFFAOYSA-N 0 0 246.262 2.750 50 0 BFAARN O=CNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001684603 383923224 /nfs/dbraw/zinc/92/32/24/383923224.db2.gz JCGSMHPPPSDAKF-UHFFFAOYSA-N 0 0 223.581 2.927 50 0 BFAARN CNc1cc(C)nc(-c2ccc3[nH]ccc3c2)n1 ZINC000067540440 383928995 /nfs/dbraw/zinc/92/89/95/383928995.db2.gz LSUXBCZOOAUZRN-UHFFFAOYSA-N 0 0 238.294 2.975 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCO2)c(C)c1 ZINC000001002255 383886513 /nfs/dbraw/zinc/88/65/13/383886513.db2.gz SYHZQNBMJCXCSO-OCCSQVGLSA-N 0 0 247.338 2.660 50 0 BFAARN COC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000001268145 383893317 /nfs/dbraw/zinc/89/33/17/383893317.db2.gz CJTXOTLTFMCCSV-UHFFFAOYSA-N 0 0 236.658 2.517 50 0 BFAARN C[C@H](NC(=O)c1ccc(N)cc1)c1ccccc1 ZINC000001438788 383900105 /nfs/dbraw/zinc/90/01/05/383900105.db2.gz LRMURALCBANCSV-NSHDSACASA-N 0 0 240.306 2.760 50 0 BFAARN O=Cc1cccc(OC(F)(F)F)c1F ZINC000036533772 383903719 /nfs/dbraw/zinc/90/37/19/383903719.db2.gz IKUSXOFNQSIUDU-UHFFFAOYSA-N 0 0 208.110 2.537 50 0 BFAARN CC[C@H](C)c1ccc(NC(=O)COC)cc1 ZINC000002751942 383986190 /nfs/dbraw/zinc/98/61/90/383986190.db2.gz FGCXBGDFQXKPOA-JTQLQIEISA-N 0 0 221.300 2.785 50 0 BFAARN c1csc(-c2noc(C[C@@H]3CCCO3)n2)c1 ZINC000089800075 383995606 /nfs/dbraw/zinc/99/56/06/383995606.db2.gz WTBQNBIEUWIYFF-QMMMGPOBSA-N 0 0 236.296 2.520 50 0 BFAARN C[C@@H]1C(=O)Nc2ccccc2S[C@H]1C ZINC000003126999 383998937 /nfs/dbraw/zinc/99/89/37/383998937.db2.gz GTUFEXDPRZPSSZ-YUMQZZPRSA-N 0 0 207.298 2.755 50 0 BFAARN Cc1nnsc1Sc1ccccc1 ZINC000003125332 383999151 /nfs/dbraw/zinc/99/91/51/383999151.db2.gz BGRSUEVIZNLPGR-UHFFFAOYSA-N 0 0 208.311 2.998 50 0 BFAARN Fc1ccc(-c2cncnc2)c(Cl)c1 ZINC000067712921 383940261 /nfs/dbraw/zinc/94/02/61/383940261.db2.gz YTGKLSNAMOMDAA-UHFFFAOYSA-N 0 0 208.623 2.936 50 0 BFAARN c1ccc2ncc(-c3ccncn3)cc2c1 ZINC000067740122 383940584 /nfs/dbraw/zinc/94/05/84/383940584.db2.gz IXSAPURSGZIKPM-UHFFFAOYSA-N 0 0 207.236 2.692 50 0 BFAARN CCOc1cccc(-c2ccccc2C(N)=O)c1 ZINC000067743776 383941690 /nfs/dbraw/zinc/94/16/90/383941690.db2.gz QMVMTFHDQRVGND-UHFFFAOYSA-N 0 0 241.290 2.851 50 0 BFAARN CC(C)Cc1nncn1-c1ccc(F)cc1F ZINC000067774081 383944272 /nfs/dbraw/zinc/94/42/72/383944272.db2.gz YCHPCBUMGPUXKS-UHFFFAOYSA-N 0 0 237.253 2.744 50 0 BFAARN COC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000002014819 383944677 /nfs/dbraw/zinc/94/46/77/383944677.db2.gz SHPKLAWJDWHSCJ-UHFFFAOYSA-N 0 0 235.066 2.789 50 0 BFAARN CCOP(=O)(OCC)[C@@H](O)c1ccccc1 ZINC000002045604 383946763 /nfs/dbraw/zinc/94/67/63/383946763.db2.gz SLNMJVMGIXUXFI-LLVKDONJSA-N 0 0 244.227 2.944 50 0 BFAARN CC(C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000071774235 384000367 /nfs/dbraw/zinc/00/03/67/384000367.db2.gz BDYVUSBLLCWPKJ-LBPRGKRZSA-N 0 0 205.301 2.514 50 0 BFAARN c1nc2c(ncnc2-c2cnc3ccccc3c2)[nH]1 ZINC000067803222 383950500 /nfs/dbraw/zinc/95/05/00/383950500.db2.gz ZZKUANCBJUXYNF-UHFFFAOYSA-N 0 0 247.261 2.568 50 0 BFAARN CCOCCOC(=O)Nc1ccc(C)cc1C ZINC000002172122 383954281 /nfs/dbraw/zinc/95/42/81/383954281.db2.gz RGLALYSETBDDMG-UHFFFAOYSA-N 0 0 237.299 2.888 50 0 BFAARN CCOCCOC(=O)Nc1ccccc1CC ZINC000002166445 383954511 /nfs/dbraw/zinc/95/45/11/383954511.db2.gz LFDOTZKNWHFPJQ-UHFFFAOYSA-N 0 0 237.299 2.834 50 0 BFAARN CCOCCOC(=O)Nc1c(C)cccc1C ZINC000002172137 383954610 /nfs/dbraw/zinc/95/46/10/383954610.db2.gz HTRGJMNAQGSNDP-UHFFFAOYSA-N 0 0 237.299 2.888 50 0 BFAARN Cc1ccc(CN(C)Cc2nccn2C(C)C)o1 ZINC000067871858 383956713 /nfs/dbraw/zinc/95/67/13/383956713.db2.gz IPBDTWWJLNFSFA-UHFFFAOYSA-N 0 0 247.342 2.997 50 0 BFAARN Cc1ccc2[nH]cc(-c3cncnc3)c2c1 ZINC000067955743 383962103 /nfs/dbraw/zinc/96/21/03/383962103.db2.gz TZCFPRYAVKEROT-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN CC(C)(C)Nc1nc(Cl)c(C=O)s1 ZINC000002507505 383966494 /nfs/dbraw/zinc/96/64/94/383966494.db2.gz BJUOXASRTPRZCN-UHFFFAOYSA-N 0 0 218.709 2.819 50 0 BFAARN O=C(CCCc1cnccn1)c1ccccc1 ZINC000071773151 384001357 /nfs/dbraw/zinc/00/13/57/384001357.db2.gz RRHYNYFUEHNYPR-UHFFFAOYSA-N 0 0 226.279 2.682 50 0 BFAARN c1cn2cc(-c3ccc4c(c3)OCO4)nc2s1 ZINC000002534095 383971915 /nfs/dbraw/zinc/97/19/15/383971915.db2.gz HYXXORLKYUZUGN-UHFFFAOYSA-N 0 0 244.275 2.792 50 0 BFAARN O=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 ZINC000002550897 383974415 /nfs/dbraw/zinc/97/44/15/383974415.db2.gz AVACFCWXODKZAZ-UHFFFAOYSA-N 0 0 244.221 2.857 50 0 BFAARN O=Cc1cnc(-c2ccccc2F)s1 ZINC000002563686 383976926 /nfs/dbraw/zinc/97/69/26/383976926.db2.gz ZTSHJBXTFGIXSF-UHFFFAOYSA-N 0 0 207.229 2.762 50 0 BFAARN CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000113973371 384017435 /nfs/dbraw/zinc/01/74/35/384017435.db2.gz COUZDDDNQCVUDL-NXEZZACHSA-N 0 0 211.305 2.653 50 0 BFAARN O=Cc1cccn1-c1ccccc1Cl ZINC000003676286 384023083 /nfs/dbraw/zinc/02/30/83/384023083.db2.gz ZGGBSDXOHAFIOQ-UHFFFAOYSA-N 0 0 205.644 2.943 50 0 BFAARN C[C@H](CC(=O)N1CCCC1)c1ccccc1F ZINC000089894513 384006946 /nfs/dbraw/zinc/00/69/46/384006946.db2.gz OJQUREHDXNSWKF-LLVKDONJSA-N 0 0 235.302 2.942 50 0 BFAARN COC(=O)[C@H](NC1CCCC1)c1cccc(C)c1 ZINC000037970148 384046407 /nfs/dbraw/zinc/04/64/07/384046407.db2.gz HDLHAHKHBWLHJR-CQSZACIVSA-N 0 0 247.338 2.741 50 0 BFAARN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O ZINC000090423996 384046783 /nfs/dbraw/zinc/04/67/83/384046783.db2.gz NKFIUBSEBGYGEF-SNVBAGLBSA-N 0 0 241.331 2.613 50 0 BFAARN CCOc1cc(CO)c(Br)cc1C ZINC000114356224 384030738 /nfs/dbraw/zinc/03/07/38/384030738.db2.gz QTUOCAFRQIHIPS-UHFFFAOYSA-N 0 0 245.116 2.649 50 0 BFAARN CCc1ccc(OC)c(-c2csc(N)n2)c1 ZINC000037868492 384033235 /nfs/dbraw/zinc/03/32/35/384033235.db2.gz DEYAQVTUHVQVMG-UHFFFAOYSA-N 0 0 234.324 2.963 50 0 BFAARN Cc1ccn2c(N)c(-c3ccccc3)nc2c1 ZINC000003888316 384033552 /nfs/dbraw/zinc/03/35/52/384033552.db2.gz FBFCRKNRKASWEW-UHFFFAOYSA-N 0 0 223.279 2.892 50 0 BFAARN OCCCCCn1ccc2ccc(F)cc21 ZINC000114416638 384034207 /nfs/dbraw/zinc/03/42/07/384034207.db2.gz JWNQXFNTISSPKJ-UHFFFAOYSA-N 0 0 221.275 2.943 50 0 BFAARN O=Cc1ccc(C(F)(F)F)nc1Cl ZINC000038540140 384086578 /nfs/dbraw/zinc/08/65/78/384086578.db2.gz XGRYCVUVCDXRIW-UHFFFAOYSA-N 0 0 209.554 2.566 50 0 BFAARN CNc1nc(Nc2ccc(F)cc2)ncc1F ZINC000004502610 384064219 /nfs/dbraw/zinc/06/42/19/384064219.db2.gz FFQXFDWNTBGAHY-UHFFFAOYSA-N 0 0 236.225 2.540 50 0 BFAARN CC(C)(C)OC(=O)NCc1cccnc1Cl ZINC000091241701 384108191 /nfs/dbraw/zinc/10/81/91/384108191.db2.gz DNTHPLQSAWWVGF-UHFFFAOYSA-N 0 0 242.706 2.760 50 0 BFAARN Clc1ccc(Cn2ccnn2)c(Cl)c1 ZINC000128048466 384110453 /nfs/dbraw/zinc/11/04/53/384110453.db2.gz HOWNPBQQFZRREB-UHFFFAOYSA-N 0 0 228.082 2.633 50 0 BFAARN COc1c(F)cc(C=O)c(C)c1Cl ZINC000091252051 384112975 /nfs/dbraw/zinc/11/29/75/384112975.db2.gz WYIOQVLMXMOGQK-UHFFFAOYSA-N 0 0 202.612 2.609 50 0 BFAARN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000091302117 384114814 /nfs/dbraw/zinc/11/48/14/384114814.db2.gz COUZDDDNQCVUDL-AOOOYVTPSA-N 0 0 211.305 2.653 50 0 BFAARN c1ccc2c(c1)[nH]c1ccc(-c3nn[nH]n3)cc12 ZINC000091294574 384116006 /nfs/dbraw/zinc/11/60/06/384116006.db2.gz OVCSGPMGIWTXPD-UHFFFAOYSA-N 0 0 235.250 2.501 50 0 BFAARN CCCCNc1nnc(-c2cccnc2)s1 ZINC000004992740 384093354 /nfs/dbraw/zinc/09/33/54/384093354.db2.gz LQKBSAMIYCTWSC-UHFFFAOYSA-N 0 0 234.328 2.812 50 0 BFAARN c1ccc(C[C@H]2COc3ccccc3C2)nc1 ZINC000091616963 384135912 /nfs/dbraw/zinc/13/59/12/384135912.db2.gz MDXRNFYZFQXODI-LBPRGKRZSA-N 0 0 225.291 2.875 50 0 BFAARN Cc1cc(CN(C)c2ncccc2Cl)no1 ZINC000091429255 384126659 /nfs/dbraw/zinc/12/66/59/384126659.db2.gz CCSPVOOYHRQHSS-UHFFFAOYSA-N 0 0 237.690 2.668 50 0 BFAARN FC(F)(F)Oc1ccc2nccnc2c1 ZINC000040456612 384155305 /nfs/dbraw/zinc/15/53/05/384155305.db2.gz NDNCFTHPNPDQPF-UHFFFAOYSA-N 0 0 214.146 2.528 50 0 BFAARN C[C@@H](NC(=O)c1cccc(F)c1)c1ccncc1 ZINC000006125229 384144759 /nfs/dbraw/zinc/14/47/59/384144759.db2.gz BRNYLBNOXFKGBT-SNVBAGLBSA-N 0 0 244.269 2.712 50 0 BFAARN Clc1cc(-c2ccncc2)c(Cl)nn1 ZINC000071609923 384172778 /nfs/dbraw/zinc/17/27/78/384172778.db2.gz OHEFKPDASJTVDT-UHFFFAOYSA-N 0 0 226.066 2.845 50 0 BFAARN O=C(/C=C/c1ccccc1)NC1CCCC1 ZINC000001016996 384174586 /nfs/dbraw/zinc/17/45/86/384174586.db2.gz PHBMWWQRXLSNDW-ZHACJKMWSA-N 0 0 215.296 2.759 50 0 BFAARN Cc1ccc(C(=O)NC2CC2)c(Cl)c1 ZINC000071376450 384164672 /nfs/dbraw/zinc/16/46/72/384164672.db2.gz CPVVVGXZHMVFKS-UHFFFAOYSA-N 0 0 209.676 2.541 50 0 BFAARN Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CC(=O)[O-])cc1 ZINC000237399462 384167769 /nfs/dbraw/zinc/16/77/69/384167769.db2.gz VLSSEQJQTAEUKH-DOMZBBRYSA-N 0 0 247.338 2.853 50 0 BFAARN COC(=O)c1cc(-c2ccc(C(C)C)cc2)[nH]n1 ZINC000006750910 384167746 /nfs/dbraw/zinc/16/77/46/384167746.db2.gz CQTNGBMBABIPSI-UHFFFAOYSA-N 0 0 244.294 2.987 50 0 BFAARN CCOCCn1cnc2cc(C)c(C)cc21 ZINC000007542398 384181926 /nfs/dbraw/zinc/18/19/26/384181926.db2.gz SGYBESFHMAYJJJ-UHFFFAOYSA-N 0 0 218.300 2.690 50 0 BFAARN Cc1cc2[nH]c(C(=O)NC3CC3)cc2c(C)c1 ZINC000009577564 384184420 /nfs/dbraw/zinc/18/44/20/384184420.db2.gz CJMGMGSXLGHEDP-UHFFFAOYSA-N 0 0 228.295 2.677 50 0 BFAARN CCCCNC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000008499279 384203648 /nfs/dbraw/zinc/20/36/48/384203648.db2.gz PHBJIDOHYFLXOL-LBPRGKRZSA-N 0 0 235.327 2.679 50 0 BFAARN Cc1ccc(O[C@@H](C)C(=O)N2CCCC2)c(C)c1 ZINC000008498989 384204212 /nfs/dbraw/zinc/20/42/12/384204212.db2.gz WXCRYSDHIREVSX-ZDUSSCGKSA-N 0 0 247.338 2.693 50 0 BFAARN CC(C)CCNC(=O)c1c(F)cccc1F ZINC000042140372 384204668 /nfs/dbraw/zinc/20/46/68/384204668.db2.gz RAGUTWSYCWGBNA-UHFFFAOYSA-N 0 0 227.254 2.741 50 0 BFAARN O=C1N[C@@H](c2ccccc2F)Nc2ccccc21 ZINC000002807066 384188756 /nfs/dbraw/zinc/18/87/56/384188756.db2.gz KRRBJLBTJZWEEX-ZDUSSCGKSA-N 0 0 242.253 2.680 50 0 BFAARN c1nc(CN2CCC[C@@H]2c2ccccn2)cs1 ZINC000072170436 384198495 /nfs/dbraw/zinc/19/84/95/384198495.db2.gz SUKCDYLHSPUPDR-CYBMUJFWSA-N 0 0 245.351 2.875 50 0 BFAARN CC[C@@H](C)C(=O)OCc1cccc2c[nH]nc21 ZINC000071922007 384199318 /nfs/dbraw/zinc/19/93/18/384199318.db2.gz PENYXJUKHXHMQM-SECBINFHSA-N 0 0 232.283 2.652 50 0 BFAARN Cc1ccc(C)c([C@@H](O)C(F)(F)F)c1 ZINC000008324317 384199664 /nfs/dbraw/zinc/19/96/64/384199664.db2.gz SCYMTVOTDWIOSX-SECBINFHSA-N 0 0 204.191 2.899 50 0 BFAARN COc1ncc(Cl)cc1Br ZINC000008698253 384208927 /nfs/dbraw/zinc/20/89/27/384208927.db2.gz AYEVELLBDURPJW-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN COC(=O)c1scc2c1nc(C)cc2C ZINC000072482079 384223270 /nfs/dbraw/zinc/22/32/70/384223270.db2.gz MJJKLJMKZKYIMP-UHFFFAOYSA-N 0 0 221.281 2.700 50 0 BFAARN CCCc1nnc(SCC2CCC2)o1 ZINC000408513406 384264170 /nfs/dbraw/zinc/26/41/70/384264170.db2.gz HVNGKTPRFPENSD-UHFFFAOYSA-N 0 0 212.318 2.914 50 0 BFAARN Cc1cc(C(=O)Nc2cccc(Cl)c2)no1 ZINC000000121961 384265671 /nfs/dbraw/zinc/26/56/71/384265671.db2.gz FOZSRWNAOOAWHJ-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN COC(=O)c1cc(Cl)cc2[nH]ccc21 ZINC000043220647 384267819 /nfs/dbraw/zinc/26/78/19/384267819.db2.gz DJXHUOUZHKUEKC-UHFFFAOYSA-N 0 0 209.632 2.608 50 0 BFAARN CC(C)(CCNC(=O)c1ccco1)C(F)(F)F ZINC000408515941 384270737 /nfs/dbraw/zinc/27/07/37/384270737.db2.gz XKTBBQZKACIUJP-UHFFFAOYSA-N 0 0 249.232 2.988 50 0 BFAARN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC1 ZINC000000320944 384309841 /nfs/dbraw/zinc/30/98/41/384309841.db2.gz JPBLTINKPAYBRJ-VMPITWQZSA-N 0 0 235.714 2.976 50 0 BFAARN O=Cc1ccc(Br)cc1Cl ZINC000012359414 384313918 /nfs/dbraw/zinc/31/39/18/384313918.db2.gz DHGPLNJITGVCSG-UHFFFAOYSA-N 0 0 219.465 2.915 50 0 BFAARN Cc1cc(C(=O)N2C[C@@H](C)CCC[C@H]2C)no1 ZINC000133891043 384317197 /nfs/dbraw/zinc/31/71/97/384317197.db2.gz YUDWABOTLWPLJX-VHSXEESVSA-N 0 0 236.315 2.634 50 0 BFAARN Cc1cc(C)cc(C(=O)NCC(C)C)c1 ZINC000000496667 384318350 /nfs/dbraw/zinc/31/83/50/384318350.db2.gz ZZXHRMRERDWFLL-UHFFFAOYSA-N 0 0 205.301 2.689 50 0 BFAARN C[C@H](N(C)C(=O)c1ccoc1)C1(C)CC1 ZINC000075108222 384319025 /nfs/dbraw/zinc/31/90/25/384319025.db2.gz NGAPSGJRYUXURP-VIFPVBQESA-N 0 0 207.273 2.540 50 0 BFAARN CNc1ccc(Nc2nc(C(C)C)ns2)cn1 ZINC000092612337 384279636 /nfs/dbraw/zinc/27/96/36/384279636.db2.gz UKRMCLZJVYXELA-UHFFFAOYSA-N 0 0 249.343 2.842 50 0 BFAARN CCc1ccc(CNc2ccc(N(C)C)cn2)o1 ZINC000097019310 384282545 /nfs/dbraw/zinc/28/25/45/384282545.db2.gz HZZKIQGRLSABGK-UHFFFAOYSA-N 0 0 245.326 2.915 50 0 BFAARN Cc1ccc(C(=O)OCC(=O)c2ccccc2)o1 ZINC000011565723 384289197 /nfs/dbraw/zinc/28/91/97/384289197.db2.gz OXKDQNJAHGFDEZ-UHFFFAOYSA-N 0 0 244.246 2.628 50 0 BFAARN CCCCOc1ccc2oc(=O)[nH]c2c1 ZINC000408525229 384290484 /nfs/dbraw/zinc/29/04/84/384290484.db2.gz QDUZVPGRHKGDMG-UHFFFAOYSA-N 0 0 207.229 2.712 50 0 BFAARN Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CC(=O)[O-])cc1 ZINC000237574460 384293792 /nfs/dbraw/zinc/29/37/92/384293792.db2.gz VLSSEQJQTAEUKH-WFASDCNBSA-N 0 0 247.338 2.853 50 0 BFAARN Cn1cccc1CNc1nnc(CC(C)(C)C)o1 ZINC000097045486 384303615 /nfs/dbraw/zinc/30/36/15/384303615.db2.gz CREIXPACJYMMCE-UHFFFAOYSA-N 0 0 248.330 2.609 50 0 BFAARN CC(C)CCNC(=O)c1cc(Cl)ccc1O ZINC000012912348 384341306 /nfs/dbraw/zinc/34/13/06/384341306.db2.gz VDEZGJAKWQJMSN-UHFFFAOYSA-N 0 0 241.718 2.822 50 0 BFAARN O=Cc1cc(Cl)ccc1Br ZINC000012956408 384344741 /nfs/dbraw/zinc/34/47/41/384344741.db2.gz IIISHLMCTDMUHH-UHFFFAOYSA-N 0 0 219.465 2.915 50 0 BFAARN CC(C)[C@H]1CN(C(=O)c2ccccc2)CCS1 ZINC000076067623 384356244 /nfs/dbraw/zinc/35/62/44/384356244.db2.gz IAPZYGUSVVKTBP-CYBMUJFWSA-N 0 0 249.379 2.900 50 0 BFAARN Cc1cc(CN2CCS[C@@H](C(C)C)C2)no1 ZINC000076066844 384356378 /nfs/dbraw/zinc/35/63/78/384356378.db2.gz QSDPVGURJQAIAG-GFCCVEGCSA-N 0 0 240.372 2.556 50 0 BFAARN Fc1ccc(N2CCOCC2)c(C(F)(F)F)c1 ZINC000095081278 384357889 /nfs/dbraw/zinc/35/78/89/384357889.db2.gz ISYBVXCMYRUZLJ-UHFFFAOYSA-N 0 0 249.207 2.681 50 0 BFAARN COC(=O)[C@H](C)SCCc1cccs1 ZINC000097102257 384359683 /nfs/dbraw/zinc/35/96/83/384359683.db2.gz JNEKPRZLMBKGIE-QMMMGPOBSA-N 0 0 230.354 2.585 50 0 BFAARN Cc1[nH]c(=S)[nH]c(=O)c1Oc1ccccc1 ZINC000013477657 384363727 /nfs/dbraw/zinc/36/37/27/384363727.db2.gz AVWWFBNCPYFQCD-UHFFFAOYSA-N 0 0 234.280 2.533 50 0 BFAARN Cc1ccncc1C(=O)c1cccc(F)c1 ZINC000045028994 384368972 /nfs/dbraw/zinc/36/89/72/384368972.db2.gz NCWXYRREJGKVLO-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN Cc1cc(C)c(NC(=S)N(C)C)c(C)c1 ZINC000013658981 384369793 /nfs/dbraw/zinc/36/97/93/384369793.db2.gz SVJAAQDFSSLLLG-UHFFFAOYSA-N 0 0 222.357 2.870 50 0 BFAARN Cc1nc(C)c(CN(C)Cc2ccncc2)s1 ZINC000097113738 384369887 /nfs/dbraw/zinc/36/98/87/384369887.db2.gz CZBJZXIJVIGNLY-UHFFFAOYSA-N 0 0 247.367 2.787 50 0 BFAARN CC1=CCN(c2ncnc3cc(F)ccc32)CC1 ZINC000095359928 384370528 /nfs/dbraw/zinc/37/05/28/384370528.db2.gz HJVIQFRDXAEPLU-UHFFFAOYSA-N 0 0 243.285 2.925 50 0 BFAARN Cc1ccc(C(=O)c2cc(F)cc(F)c2)cn1 ZINC000045029096 384372749 /nfs/dbraw/zinc/37/27/49/384372749.db2.gz ZMVQQMODGIKUBA-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1ccnc(NC(=O)C[C@@H]2C=CCC2)c1 ZINC000012552820 384326084 /nfs/dbraw/zinc/32/60/84/384326084.db2.gz KOLIISCXEHHEBV-LLVKDONJSA-N 0 0 216.284 2.685 50 0 BFAARN FC(F)c1cnccc1Br ZINC000077012076 384391897 /nfs/dbraw/zinc/39/18/97/384391897.db2.gz WBGPWMOAKBGODC-UHFFFAOYSA-N 0 0 208.005 2.782 50 0 BFAARN CC(C)(C)OC(=O)Nc1cccc(F)c1N ZINC000077032277 384392188 /nfs/dbraw/zinc/39/21/88/384392188.db2.gz NTMLBUWXZRGJAG-UHFFFAOYSA-N 0 0 226.251 2.755 50 0 BFAARN C[C@H](NC(=O)c1ccco1)c1ccccc1 ZINC000000299309 384394994 /nfs/dbraw/zinc/39/49/94/384394994.db2.gz IAADLDQTAJKRLP-JTQLQIEISA-N 0 0 215.252 2.771 50 0 BFAARN COC(=O)c1ccc(Oc2ccccc2N)cc1 ZINC000014629167 384396320 /nfs/dbraw/zinc/39/63/20/384396320.db2.gz WUELUEATXCULFK-UHFFFAOYSA-N 0 0 243.262 2.848 50 0 BFAARN CC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000077310019 384402299 /nfs/dbraw/zinc/40/22/99/384402299.db2.gz HHFMDOBWCCQMOI-CABCVRRESA-N 0 0 231.339 2.924 50 0 BFAARN O=Cc1c(-c2ccc(F)cc2)nc2n1CCS2 ZINC000014808101 384406415 /nfs/dbraw/zinc/40/64/15/384406415.db2.gz GKESSEWVCUOPBP-UHFFFAOYSA-N 0 0 248.282 2.607 50 0 BFAARN Cc1n[nH]c(C)c1CCc1ccc([C@@H](C)O)cc1 ZINC000077458436 384408538 /nfs/dbraw/zinc/40/85/38/384408538.db2.gz MWKYLBVZGBBQOD-GFCCVEGCSA-N 0 0 244.338 2.865 50 0 BFAARN Cc1nc(C)c(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)o1 ZINC000077506076 384411424 /nfs/dbraw/zinc/41/14/24/384411424.db2.gz LJCBJNGQKVYPIJ-SRVKXCTJSA-N 0 0 248.326 2.600 50 0 BFAARN Clc1n[nH]c2cc(Br)ccc12 ZINC000014984927 384413043 /nfs/dbraw/zinc/41/30/43/384413043.db2.gz LDBXLSQSRZCYHL-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN S=C1N=NC(c2cc3ccccc3o2)O1 ZINC000015019911 384415106 /nfs/dbraw/zinc/41/51/06/384415106.db2.gz XTDBHDMLDUGSMY-UHFFFAOYSA-N 0 0 218.237 2.772 50 0 BFAARN Cc1cc(C)cc([C@H](C)NC(=O)c2cocn2)c1 ZINC000095951197 384418696 /nfs/dbraw/zinc/41/86/96/384418696.db2.gz GDOKGTXFFVWCPU-NSHDSACASA-N 0 0 244.294 2.782 50 0 BFAARN Cc1ccnc(N2CCCCCCC2)n1 ZINC000095398893 384375961 /nfs/dbraw/zinc/37/59/61/384375961.db2.gz ROWIHRKNRVEPFH-UHFFFAOYSA-N 0 0 205.305 2.556 50 0 BFAARN C[C@H](Nc1ncnc2c1CCC2)c1cccnc1 ZINC000061276754 384380390 /nfs/dbraw/zinc/38/03/90/384380390.db2.gz NPRZYKFIICQBIM-JTQLQIEISA-N 0 0 240.310 2.533 50 0 BFAARN CCCn1cnc2cc(C(=O)OCC)ccc21 ZINC000095496117 384380695 /nfs/dbraw/zinc/38/06/95/384380695.db2.gz IIHMKGKXUJMFML-UHFFFAOYSA-N 0 0 232.283 2.623 50 0 BFAARN Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)[O-])cc1 ZINC000237784457 384384261 /nfs/dbraw/zinc/38/42/61/384384261.db2.gz MZANCAZGBGPPPM-ZDUSSCGKSA-N 0 0 233.311 2.607 50 0 BFAARN Cc1ccc(C=O)c(F)c1Br ZINC000095635157 384384663 /nfs/dbraw/zinc/38/46/63/384384663.db2.gz AZBJQXQTTQMVIT-UHFFFAOYSA-N 0 0 217.037 2.709 50 0 BFAARN C[C@H]1CC(C)(C)N(C=O)c2ccccc21 ZINC000000270696 384387256 /nfs/dbraw/zinc/38/72/56/384387256.db2.gz VYMRKPSUCXMRGB-JTQLQIEISA-N 0 0 203.285 2.935 50 0 BFAARN Clc1cc(Br)cc2[nH]cnc21 ZINC000076938838 384389248 /nfs/dbraw/zinc/38/92/48/384389248.db2.gz IZEKQLHDUSVAKK-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Nc1c(Cl)cc(-c2ncc[nH]2)cc1Cl ZINC000095726837 384389585 /nfs/dbraw/zinc/38/95/85/384389585.db2.gz KLMXUIXOFFGDBC-UHFFFAOYSA-N 0 0 228.082 2.966 50 0 BFAARN O=C(CC[C@@H]1CCCO1)OC[C@H]1CC=CCC1 ZINC000097213158 384445467 /nfs/dbraw/zinc/44/54/67/384445467.db2.gz AWIUNVJQQPDLIL-STQMWFEESA-N 0 0 238.327 2.845 50 0 BFAARN C[C@@H](O)[C@H](O)C(c1ccccc1)c1ccccc1 ZINC000096319148 384453408 /nfs/dbraw/zinc/45/34/08/384453408.db2.gz UBXVULCUJFPOFQ-WBMJQRKESA-N 0 0 242.318 2.560 50 0 BFAARN C[C@H](NC(=O)c1ccoc1)c1ccccc1 ZINC000015554297 384436294 /nfs/dbraw/zinc/43/62/94/384436294.db2.gz GLLMNJOQUNIXNQ-JTQLQIEISA-N 0 0 215.252 2.771 50 0 BFAARN O=Cc1cc(-c2ccc(F)cc2)ccn1 ZINC000047204927 384443489 /nfs/dbraw/zinc/44/34/89/384443489.db2.gz RLCHPPIGKLSXOD-UHFFFAOYSA-N 0 0 201.200 2.700 50 0 BFAARN COC(=O)Cc1cccc(NCc2ccco2)c1 ZINC000097235422 384464710 /nfs/dbraw/zinc/46/47/10/384464710.db2.gz HFQVJMROIFEPES-UHFFFAOYSA-N 0 0 245.278 2.607 50 0 BFAARN CCc1ccc(NC2=NCCS2)cc1 ZINC000000097770 384458540 /nfs/dbraw/zinc/45/85/40/384458540.db2.gz QBBBENYBSBFBAI-UHFFFAOYSA-N 0 0 206.314 2.764 50 0 BFAARN CC[C@H]([NH2+]C[C@H](C)O)c1cccc(Cl)c1F ZINC000135041858 384502781 /nfs/dbraw/zinc/50/27/81/384502781.db2.gz MYMBVQKDJAGPLB-KWQFWETISA-N 0 0 245.725 2.901 50 0 BFAARN CO[C@H](C)c1cccc(-c2cc(CO)ccn2)c1 ZINC000097619644 384535818 /nfs/dbraw/zinc/53/58/18/384535818.db2.gz LBUJXCSWMZCOBB-LLVKDONJSA-N 0 0 243.306 2.948 50 0 BFAARN C[C@H]1SCCN(C(=O)c2ccsc2)[C@H]1C ZINC000098010485 384519450 /nfs/dbraw/zinc/51/94/50/384519450.db2.gz GDJVJNCMOWJSRA-DTWKUNHWSA-N 0 0 241.381 2.714 50 0 BFAARN CC(=O)c1ccc(OCc2cccnc2)cc1 ZINC000019508826 384525471 /nfs/dbraw/zinc/52/54/71/384525471.db2.gz DWFKUFJMJVKGES-UHFFFAOYSA-N 0 0 227.263 2.863 50 0 BFAARN O=Cc1cccc(Oc2ccc(Cl)nn2)c1 ZINC000049538557 384544747 /nfs/dbraw/zinc/54/47/47/384544747.db2.gz OFIOKZFAVIBYAD-UHFFFAOYSA-N 0 0 234.642 2.735 50 0 BFAARN O=C1OC(c2cccs2)=N/C1=C\c1ccco1 ZINC000000430302 384545490 /nfs/dbraw/zinc/54/54/90/384545490.db2.gz TUHHROSPXZWLSF-CLFYSBASSA-N 0 0 245.259 2.686 50 0 BFAARN Cc1cc(CN(C)Cc2coc(C(C)C)n2)on1 ZINC000097729525 384549054 /nfs/dbraw/zinc/54/90/54/384549054.db2.gz RGVIZMCAAJDCAP-UHFFFAOYSA-N 0 0 249.314 2.726 50 0 BFAARN COc1ccc(CNc2cccnc2)cc1OC ZINC000019884117 384552095 /nfs/dbraw/zinc/55/20/95/384552095.db2.gz IEMZUJNOCFNBGP-UHFFFAOYSA-N 0 0 244.294 2.711 50 0 BFAARN COC(=O)c1ccc(Cl)c(OC(C)C)c1 ZINC000097756817 384554488 /nfs/dbraw/zinc/55/44/88/384554488.db2.gz NFQANNGLUNRISA-UHFFFAOYSA-N 0 0 228.675 2.914 50 0 BFAARN O=C1CCc2cc(F)c(Br)cc21 ZINC000097757554 384554745 /nfs/dbraw/zinc/55/47/45/384554745.db2.gz UJFQGEGLVMENFO-UHFFFAOYSA-N 0 0 229.048 2.717 50 0 BFAARN COC(=O)c1ccnc(-c2cccs2)c1 ZINC000097756985 384555155 /nfs/dbraw/zinc/55/51/55/384555155.db2.gz WUVILBJLJTXXMR-UHFFFAOYSA-N 0 0 219.265 2.597 50 0 BFAARN CC(C)[C@@H]([NH2+]Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000019787756 384537523 /nfs/dbraw/zinc/53/75/23/384537523.db2.gz UWDPUPXJVAYDBR-LLVKDONJSA-N 0 0 241.718 2.539 50 0 BFAARN CCc1ccccc1O[C@H](C)C(=O)N1CCCC1 ZINC000020039720 384570707 /nfs/dbraw/zinc/57/07/07/384570707.db2.gz FLKINIJLCVZPFE-GFCCVEGCSA-N 0 0 247.338 2.639 50 0 BFAARN Cc1n[nH]c(C)c1NC(=O)Nc1cccc(F)c1 ZINC000038076564 384575887 /nfs/dbraw/zinc/57/58/87/384575887.db2.gz NLQWQOFZQNSEPD-UHFFFAOYSA-N 0 0 248.261 2.810 50 0 BFAARN CCCCNC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000017950356 384578370 /nfs/dbraw/zinc/57/83/70/384578370.db2.gz MHRXYYPTQNFXTH-PHIMTYICSA-N 0 0 212.337 2.759 50 0 BFAARN O=Cc1cc(C(F)(F)F)c(F)cc1F ZINC000138847486 384588645 /nfs/dbraw/zinc/58/86/45/384588645.db2.gz BTULJAYQJSSINL-UHFFFAOYSA-N 0 0 210.101 2.796 50 0 BFAARN CC(C)C[C@@H]([NH2+]C/C=C\c1ccccc1)C(=O)[O-] ZINC000098040918 384589895 /nfs/dbraw/zinc/58/98/95/384589895.db2.gz NALTXKUJVSJCET-DEBLGDTFSA-N 0 0 247.338 2.789 50 0 BFAARN Cc1cc(C=O)c(F)c(C(F)(F)F)c1 ZINC000098210799 384603602 /nfs/dbraw/zinc/60/36/02/384603602.db2.gz JLNLRURCJMGFHQ-UHFFFAOYSA-N 0 0 206.138 2.965 50 0 BFAARN O=C1CC(C(F)(F)F)=Nc2ccccc2N1 ZINC000100036770 384610401 /nfs/dbraw/zinc/61/04/01/384610401.db2.gz AVYUTTGUWVFRQS-UHFFFAOYSA-N 0 0 228.173 2.664 50 0 BFAARN O=Cc1c(Cl)ncn1-c1ccc(Cl)cc1 ZINC000036390464 384619741 /nfs/dbraw/zinc/61/97/41/384619741.db2.gz QTTPQRUMGPORKP-UHFFFAOYSA-N 0 0 241.077 2.992 50 0 BFAARN Cc1ccc(C)c(CC(=O)NCC(C)C)c1 ZINC000020487349 384620570 /nfs/dbraw/zinc/62/05/70/384620570.db2.gz RWJNEGNDNIMCAA-UHFFFAOYSA-N 0 0 219.328 2.618 50 0 BFAARN O=C1CC(=O)N(c2ccccc2)c2ccccc21 ZINC000100293608 384631282 /nfs/dbraw/zinc/63/12/82/384631282.db2.gz JGYPPHHQPBWHTM-UHFFFAOYSA-N 0 0 237.258 2.938 50 0 BFAARN C[C@@H](O)c1ccc(CNc2ncccc2F)cc1 ZINC000180425973 384594657 /nfs/dbraw/zinc/59/46/57/384594657.db2.gz PIZQCJYSHSGLNA-SNVBAGLBSA-N 0 0 246.285 2.886 50 0 BFAARN CCCc1nccn1Cc1ccc(Cl)cn1 ZINC000097046771 384596263 /nfs/dbraw/zinc/59/62/63/384596263.db2.gz BPJAPLTVBBVSOQ-UHFFFAOYSA-N 0 0 235.718 2.932 50 0 BFAARN CN(Cc1ccno1)Cc1ccc(F)cc1F ZINC000073893991 384655799 /nfs/dbraw/zinc/65/57/99/384655799.db2.gz LYWJPLQIUXIIBP-UHFFFAOYSA-N 0 0 238.237 2.585 50 0 BFAARN c1coc(-c2nnc(NCc3ccccc3)o2)c1 ZINC000074384178 384659198 /nfs/dbraw/zinc/65/91/98/384659198.db2.gz KUNIHUJSODGWAT-UHFFFAOYSA-N 0 0 241.250 2.942 50 0 BFAARN c1cnc(N[C@H]2CCCc3ccccc32)nc1 ZINC000022034762 384724646 /nfs/dbraw/zinc/72/46/46/384724646.db2.gz LUZUFAVGXCCLLD-ZDUSSCGKSA-N 0 0 225.295 2.966 50 0 BFAARN O=C1N[C@H](Nc2ccccc2)c2ccccc21 ZINC000071773043 384681627 /nfs/dbraw/zinc/68/16/27/384681627.db2.gz UYGDTEOUPXULAQ-ZDUSSCGKSA-N 0 0 224.263 2.541 50 0 BFAARN Nc1noc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000082539223 384689569 /nfs/dbraw/zinc/68/95/69/384689569.db2.gz GUFWSKDRPKCDQH-UHFFFAOYSA-N 0 0 230.054 2.626 50 0 BFAARN CCc1ccc(Br)cc1C=O ZINC000051943804 384703695 /nfs/dbraw/zinc/70/36/95/384703695.db2.gz UMGJVMRBOMDAMJ-UHFFFAOYSA-N 0 0 213.074 2.824 50 0 BFAARN O=C(Nc1nc(C2CC2)cs1)C1CC=CC1 ZINC000077735786 384707091 /nfs/dbraw/zinc/70/70/91/384707091.db2.gz GLGJOEOWOLLZBN-UHFFFAOYSA-N 0 0 234.324 2.925 50 0 BFAARN Cc1cccc([C@H](C)Sc2nc[nH]n2)c1 ZINC000078929141 384713599 /nfs/dbraw/zinc/71/35/99/384713599.db2.gz VZAKRFCMANLXAB-VIFPVBQESA-N 0 0 219.313 2.966 50 0 BFAARN C[C@H]1Oc2cc(Cl)cc(Cl)c2C1=O ZINC000105738372 384713953 /nfs/dbraw/zinc/71/39/53/384713953.db2.gz BFNCFKZINSTEPA-SCSAIBSYSA-N 0 0 217.051 2.957 50 0 BFAARN CCSc1cc(CNc2ncccn2)ccn1 ZINC000274983214 384717557 /nfs/dbraw/zinc/71/75/57/384717557.db2.gz CDDGBUWCUWZZOU-UHFFFAOYSA-N 0 0 246.339 2.596 50 0 BFAARN O=C(c1ccoc1)N1CCC(C(F)(F)F)CC1 ZINC000081312894 384737292 /nfs/dbraw/zinc/73/72/92/384737292.db2.gz PBMWXDLKSUWKJV-UHFFFAOYSA-N 0 0 247.216 2.694 50 0 BFAARN CCCCCOC(=O)c1cn2ccccc2n1 ZINC000060688844 384737693 /nfs/dbraw/zinc/73/76/93/384737693.db2.gz YTCWDZDDPRMURQ-UHFFFAOYSA-N 0 0 232.283 2.681 50 0 BFAARN CC(=O)c1ccccc1C(=O)N[C@H]1CCC[C@@H]1C ZINC000087313301 384779287 /nfs/dbraw/zinc/77/92/87/384779287.db2.gz USVLYGPGZXKQSL-HZMBPMFUSA-N 0 0 245.322 2.808 50 0 BFAARN Cc1nnc(CN2CCC[C@H]2c2ccsc2)o1 ZINC000048253147 384760592 /nfs/dbraw/zinc/76/05/92/384760592.db2.gz YFAMTESQNGGCNB-NSHDSACASA-N 0 0 249.339 2.777 50 0 BFAARN CC(=O)c1csc(NC(=O)c2ccccc2)n1 ZINC000022532114 384765555 /nfs/dbraw/zinc/76/55/55/384765555.db2.gz QAWPUCIPBVXKBG-UHFFFAOYSA-N 0 0 246.291 2.598 50 0 BFAARN CO[C@H]1C[C@H](c2ccccc2)CCC1=O ZINC000146768859 384818421 /nfs/dbraw/zinc/81/84/21/384818421.db2.gz BDWYLSNDWRACPH-YPMHNXCESA-N 0 0 204.269 2.538 50 0 BFAARN Cc1noc(C)c1CN(C)Cc1ccccc1 ZINC000024547812 384821836 /nfs/dbraw/zinc/82/18/36/384821836.db2.gz UUOBRQSBOTXZPU-UHFFFAOYSA-N 0 0 230.311 2.923 50 0 BFAARN O=C1c2ccccc2CC[C@H]1C(F)(F)F ZINC000072194632 384827751 /nfs/dbraw/zinc/82/77/51/384827751.db2.gz CBDOEEPTRHUPCK-SECBINFHSA-N 0 0 214.186 2.994 50 0 BFAARN CCONC(=O)c1cccc(Cl)c1Cl ZINC000024834356 384833454 /nfs/dbraw/zinc/83/34/54/384833454.db2.gz JYLNWEWJEZUBBG-UHFFFAOYSA-N 0 0 234.082 2.675 50 0 BFAARN Cc1cc(C(=O)N[C@H](C)c2ccccc2F)on1 ZINC000023544706 384801805 /nfs/dbraw/zinc/80/18/05/384801805.db2.gz CDAZPJKFPYFINX-SECBINFHSA-N 0 0 248.257 2.613 50 0 BFAARN Cc1nnc2ncc(-c3cccc(C)c3C)cn12 ZINC000426433719 384802585 /nfs/dbraw/zinc/80/25/85/384802585.db2.gz YAHDBUMUVBCFHL-UHFFFAOYSA-N 0 0 238.294 2.717 50 0 BFAARN C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCC(=O)[O-] ZINC000175603930 384803659 /nfs/dbraw/zinc/80/36/59/384803659.db2.gz UHKGQOAKWZRNDI-GXTWGEPZSA-N 0 0 247.338 2.729 50 0 BFAARN Cc1cc(C(=O)N[C@H](C)c2ccccc2C)no1 ZINC000023679592 384805236 /nfs/dbraw/zinc/80/52/36/384805236.db2.gz ZTIJCJNLMOVWAH-LLVKDONJSA-N 0 0 244.294 2.782 50 0 BFAARN C[C@@H](O)Cc1cc(F)ccc1Br ZINC000053784406 384807893 /nfs/dbraw/zinc/80/78/93/384807893.db2.gz IYHLRAUXPBWMSR-ZCFIWIBFSA-N 0 0 233.080 2.512 50 0 BFAARN c1ccc2c(c1)C[C@@H](c1nc(C3CC3)no1)CO2 ZINC000084579511 384881879 /nfs/dbraw/zinc/88/18/79/384881879.db2.gz VNGRXGVLRVTPNR-LLVKDONJSA-N 0 0 242.278 2.666 50 0 BFAARN COC(=O)c1ccc(Br)cc1C ZINC000026894744 384886692 /nfs/dbraw/zinc/88/66/92/384886692.db2.gz CYEXEOXALMJXDI-UHFFFAOYSA-N 0 0 229.073 2.544 50 0 BFAARN C[C@@H](Nc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000084222799 384849345 /nfs/dbraw/zinc/84/93/45/384849345.db2.gz WAKBBAZGBXXVKE-SECBINFHSA-N 0 0 239.290 2.968 50 0 BFAARN Clc1cn2cc(Br)ccc2n1 ZINC000084251253 384853095 /nfs/dbraw/zinc/85/30/95/384853095.db2.gz XVTNIOWQQGPGBC-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N(C)c1nc2ccccc2s1 ZINC000026955952 384889018 /nfs/dbraw/zinc/88/90/18/384889018.db2.gz GXQRXFIDWBAKBZ-RKDXNWHRSA-N 0 0 246.335 2.915 50 0 BFAARN CCCc1nnc(NC(=O)C2CCCC2)s1 ZINC000057511645 384949478 /nfs/dbraw/zinc/94/94/78/384949478.db2.gz NXHLNICFJXQRSZ-UHFFFAOYSA-N 0 0 239.344 2.619 50 0 BFAARN CC(C)c1nc(N)sc1Br ZINC000057502112 384951570 /nfs/dbraw/zinc/95/15/70/384951570.db2.gz PLPKYAYJIVQOEL-UHFFFAOYSA-N 0 0 221.123 2.611 50 0 BFAARN CSCC(=O)N1CCC(c2ccccc2)CC1 ZINC000032908686 384893533 /nfs/dbraw/zinc/89/35/33/384893533.db2.gz DIWLJHYAKIXSKV-UHFFFAOYSA-N 0 0 249.379 2.756 50 0 BFAARN C[C@H](COc1ccccc1)NC(=O)C1CCCC1 ZINC000055731076 384894409 /nfs/dbraw/zinc/89/44/09/384894409.db2.gz POAGSNYFJJHMSL-GFCCVEGCSA-N 0 0 247.338 2.760 50 0 BFAARN Clc1cc(Br)c(Cl)nn1 ZINC000085220947 384927961 /nfs/dbraw/zinc/92/79/61/384927961.db2.gz XAXKZIUQIROVNV-UHFFFAOYSA-N 0 0 227.876 2.546 50 0 BFAARN CCOc1cc(Br)ccc1F ZINC000085223415 384928149 /nfs/dbraw/zinc/92/81/49/384928149.db2.gz QNMCMYYZINDARU-UHFFFAOYSA-N 0 0 219.053 2.987 50 0 BFAARN c1ccc(N[C@H]2CCOC3(CCCC3)C2)nc1 ZINC000095425688 384931407 /nfs/dbraw/zinc/93/14/07/384931407.db2.gz RTNRWYITFPQPCJ-LBPRGKRZSA-N 0 0 232.327 2.985 50 0 BFAARN CCc1cccc(I)c1 ZINC000057375406 384944092 /nfs/dbraw/zinc/94/40/92/384944092.db2.gz XSMZGZMBNXKCBW-UHFFFAOYSA-N 0 0 232.064 2.854 50 0 BFAARN COC[C@@H](C)SCc1ncccc1C ZINC000096494695 384944990 /nfs/dbraw/zinc/94/49/90/384944990.db2.gz AZNQRTURCRTFJO-SNVBAGLBSA-N 0 0 211.330 2.658 50 0 BFAARN C[C@@H](Cn1nnnc1C(C)(C)C)c1ccccc1 ZINC000128071101 384989819 /nfs/dbraw/zinc/98/98/19/384989819.db2.gz MLZOCHLCQNRTDC-NSHDSACASA-N 0 0 244.342 2.774 50 0 BFAARN O=C(/C=C/c1ccc(F)cc1)NCC(F)(F)F ZINC000058191289 384990578 /nfs/dbraw/zinc/99/05/78/384990578.db2.gz FYRWVCBBRGXUGG-ZZXKWVIFSA-N 0 0 247.191 2.517 50 0 BFAARN [NH3+][C@@H](CCC(=O)[O-])Cc1cccc2ccccc21 ZINC000061893399 384991377 /nfs/dbraw/zinc/99/13/77/384991377.db2.gz VYLSATSPQDKEPW-ZDUSSCGKSA-N 0 0 243.306 2.574 50 0 BFAARN CC/C=C(/C)C(=O)NCc1cccs1 ZINC000058326175 384996354 /nfs/dbraw/zinc/99/63/54/384996354.db2.gz XOHWFURTEBTKII-UITAMQMPSA-N 0 0 209.314 2.721 50 0 BFAARN CCc1ccc(NCC(=O)N2CCCCC2)cc1 ZINC000058374123 384998524 /nfs/dbraw/zinc/99/85/24/384998524.db2.gz OMBHEHSWKPNEBS-UHFFFAOYSA-N 0 0 246.354 2.673 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(F)cc1OC ZINC000058355417 384999136 /nfs/dbraw/zinc/99/91/36/384999136.db2.gz OQIOOONRCUUGLB-MRVPVSSYSA-N 0 0 225.263 2.819 50 0 BFAARN O=c1c2sccc2ncn1Cc1ccccc1 ZINC000058451088 385007422 /nfs/dbraw/zinc/00/74/22/385007422.db2.gz IPTBYMGFXUMPDX-UHFFFAOYSA-N 0 0 242.303 2.506 50 0 BFAARN Cc1ccc(C(=O)Nc2ccc(=S)[nH]n2)cc1 ZINC000061966015 385010626 /nfs/dbraw/zinc/01/06/26/385010626.db2.gz XWNYTABWGJPLMG-UHFFFAOYSA-N 0 0 245.307 2.700 50 0 BFAARN COc1ncc(Cl)c(C)c1Br ZINC000059689066 385053485 /nfs/dbraw/zinc/05/34/85/385053485.db2.gz CRWBHPSHBRYYIS-UHFFFAOYSA-N 0 0 236.496 2.815 50 0 BFAARN CC1=CCN(C(=O)c2ccsc2)CC1 ZINC000089919767 168110213 /nfs/dbraw/zinc/11/02/13/168110213.db2.gz WMQPEFBWGBWFPE-UHFFFAOYSA-N 0 0 207.298 2.540 50 0 BFAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC1 ZINC000060632866 385094409 /nfs/dbraw/zinc/09/44/09/385094409.db2.gz SCFJJELETVOIPN-UHFFFAOYSA-N 0 0 229.201 2.551 50 0 BFAARN COc1cc(Cn2cccn2)ccc1SC ZINC000072302050 385106279 /nfs/dbraw/zinc/10/62/79/385106279.db2.gz IFQMAHIUUZEGIH-UHFFFAOYSA-N 0 0 234.324 2.662 50 0 BFAARN CC(C)c1cccc2c(N)c(C(=O)[O-])c[nH+]c21 ZINC000062719795 385185010 /nfs/dbraw/zinc/18/50/10/385185010.db2.gz SXOIZJNMOXKUGH-UHFFFAOYSA-N 0 0 230.267 2.639 50 0 biogenic BFAARN Cc1ccc([C@H](C)NC(=O)c2ccc(C)nc2)o1 ZINC000032898797 385189453 /nfs/dbraw/zinc/18/94/53/385189453.db2.gz RHHLZCSLLGTNMG-NSHDSACASA-N 0 0 244.294 2.782 50 0 BFAARN C[C@@H]1Cc2ccccc2N1C(=O)C1CCC1 ZINC000032975275 385195803 /nfs/dbraw/zinc/19/58/03/385195803.db2.gz TZADZXHPNFTBFK-SNVBAGLBSA-N 0 0 215.296 2.764 50 0 BFAARN CN(Cc1cccc(F)c1)C(=O)C1CCCC1 ZINC000033000196 385198983 /nfs/dbraw/zinc/19/89/83/385198983.db2.gz YXAKCSAIVCZPKL-UHFFFAOYSA-N 0 0 235.302 2.974 50 0 BFAARN CNc1nc(C(F)F)nc2ccccc21 ZINC000050786109 385144016 /nfs/dbraw/zinc/14/40/16/385144016.db2.gz NDAVMAQQSXAFBG-UHFFFAOYSA-N 0 0 209.199 2.609 50 0 BFAARN CCSCC[C@@H](C)NC(=O)[C@H]1CC=CCC1 ZINC000096433114 385167753 /nfs/dbraw/zinc/16/77/53/385167753.db2.gz QIJKUKCYBMTISV-NEPJUHHUSA-N 0 0 241.400 2.991 50 0 BFAARN FC(F)(F)c1cc2n[nH]nc2c(Cl)c1 ZINC000032499975 385167966 /nfs/dbraw/zinc/16/79/66/385167966.db2.gz SWXYNBPMJGFRGI-UHFFFAOYSA-N 0 0 221.569 2.630 50 0 BFAARN CS[C@H]1CCC[C@H]1N(C)Cc1cscn1 ZINC000096441763 385168413 /nfs/dbraw/zinc/16/84/13/385168413.db2.gz UFHSOHOHLBRHHK-MNOVXSKESA-N 0 0 242.413 2.859 50 0 BFAARN CC(C)C(=O)NC[C@@H](C)Sc1ccccc1 ZINC000096431733 385168582 /nfs/dbraw/zinc/16/85/82/385168582.db2.gz NIMOLJZGOIRRQR-LLVKDONJSA-N 0 0 237.368 2.939 50 0 BFAARN CCSCCOc1cccc([C@@H](C)O)c1 ZINC000096496139 385231956 /nfs/dbraw/zinc/23/19/56/385231956.db2.gz MDURUSCBDFSOFS-SNVBAGLBSA-N 0 0 226.341 2.872 50 0 BFAARN CC[C@H](SC[C@H](C)c1ccccc1)C(N)=O ZINC000096496216 385232517 /nfs/dbraw/zinc/23/25/17/385232517.db2.gz XHXWFWMXSCAPCI-JQWIXIFHSA-N 0 0 237.368 2.787 50 0 BFAARN CCN(CC)c1cccc(C(F)(F)F)n1 ZINC000220618514 385246551 /nfs/dbraw/zinc/24/65/51/385246551.db2.gz VIXXIJFNQXYTKL-UHFFFAOYSA-N 0 0 218.222 2.947 50 0 BFAARN Cc1ccc(C(=O)N[C@@H](C)c2ccncc2)cc1 ZINC000005636091 385248039 /nfs/dbraw/zinc/24/80/39/385248039.db2.gz JFWUTLKQFUMAID-LBPRGKRZSA-N 0 0 240.306 2.881 50 0 BFAARN Cc1ccoc1-c1n[nH]c(Cc2ccccc2)n1 ZINC000065404874 385306391 /nfs/dbraw/zinc/30/63/91/385306391.db2.gz NQQGNKVGPNOXNL-UHFFFAOYSA-N 0 0 239.278 2.964 50 0 BFAARN Oc1cccnc1-c1ccc(-c2cc[nH]n2)cc1 ZINC000065403986 385306726 /nfs/dbraw/zinc/30/67/26/385306726.db2.gz XKVRAJQSVMTJIK-UHFFFAOYSA-N 0 0 237.262 2.844 50 0 BFAARN CC(C)c1nccn1[C@H](C)c1n[nH]c(C2CC2)n1 ZINC000065463881 385314739 /nfs/dbraw/zinc/31/47/39/385314739.db2.gz YUBDZGHVCBFIIC-SECBINFHSA-N 0 0 245.330 2.611 50 0 BFAARN CCc1ccccc1-c1cc(CO)ccn1 ZINC000065461813 385315323 /nfs/dbraw/zinc/31/53/23/385315323.db2.gz IYQLZTZKADFZDC-UHFFFAOYSA-N 0 0 213.280 2.803 50 0 BFAARN O=Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000034285368 385275941 /nfs/dbraw/zinc/27/59/41/385275941.db2.gz MZFKKXOVOJMARL-UHFFFAOYSA-N 0 0 207.616 2.808 50 0 BFAARN NCc1nc(-c2cc(Cl)ccc2Cl)no1 ZINC000034797628 385290551 /nfs/dbraw/zinc/29/05/51/385290551.db2.gz TXLZZRCPLJBBHY-UHFFFAOYSA-N 0 0 244.081 2.502 50 0 BFAARN O=C1CC[C@H](OCc2ccccc2)C[C@H]1F ZINC000166958883 385291763 /nfs/dbraw/zinc/29/17/63/385291763.db2.gz KBAAMMVYXJFIMQ-NWDGAFQWSA-N 0 0 222.259 2.663 50 0 BFAARN Cc1ccc(NN=Cc2cccnc2)cc1 ZINC000015973782 385378567 /nfs/dbraw/zinc/37/85/67/385378567.db2.gz LVLMOIZXPFEMPZ-UHFFFAOYSA-N 0 0 211.268 2.836 50 0 BFAARN FC(F)(F)c1ccc(N2CCSC2)cn1 ZINC000169725756 385418422 /nfs/dbraw/zinc/41/84/22/385418422.db2.gz UFODWPNDKZSZPK-UHFFFAOYSA-N 0 0 234.246 2.611 50 0 BFAARN CC[S@@](=O)Cc1cccc(Br)c1 ZINC000170592913 385432185 /nfs/dbraw/zinc/43/21/85/385432185.db2.gz SBLBEKUMCAXMLL-GFCCVEGCSA-N 0 0 247.157 2.718 50 0 BFAARN Cc1ccc(C(=O)Nc2ccncc2)cc1F ZINC000012528491 385495257 /nfs/dbraw/zinc/49/52/57/385495257.db2.gz QKSHOFWXBIAWKI-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN C[C@@H]1Cc2ccccc2[C@H]1Nc1cnn(C)c1 ZINC000157327624 385496673 /nfs/dbraw/zinc/49/66/73/385496673.db2.gz IAIYKUVPTSCWJL-YGRLFVJLSA-N 0 0 227.311 2.766 50 0 BFAARN Cc1cc(C(F)(F)F)n2ncc(Cl)c2n1 ZINC000020615877 385514166 /nfs/dbraw/zinc/51/41/66/385514166.db2.gz YYQZUXNORARXTG-UHFFFAOYSA-N 0 0 235.596 2.710 50 0 BFAARN O=Cc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000019801835 385514325 /nfs/dbraw/zinc/51/43/25/385514325.db2.gz FJRLRPMATZQLHW-UHFFFAOYSA-N 0 0 240.184 2.704 50 0 BFAARN CNc1nc(Cl)ccc1Br ZINC000252510297 385651388 /nfs/dbraw/zinc/65/13/88/385651388.db2.gz ZGICSDCFHLOVII-UHFFFAOYSA-N 0 0 221.485 2.539 50 0 BFAARN C[C@@H](O)[C@@H](C)SCc1cnc(Cl)s1 ZINC000121203945 385829410 /nfs/dbraw/zinc/82/94/10/385829410.db2.gz BMOHUSFVERKVPN-PHDIDXHHSA-N 0 0 237.777 2.799 50 0 BFAARN COC(=O)Cc1cc(Cl)c(F)c(Cl)c1 ZINC000260150320 385790085 /nfs/dbraw/zinc/79/00/85/385790085.db2.gz CVOVBXSMVQUMJR-UHFFFAOYSA-N 0 0 237.057 2.848 50 0 BFAARN CC(C)c1noc([C@H](C)N2CCC[C@@H](C)C2)n1 ZINC000044583679 385796545 /nfs/dbraw/zinc/79/65/45/385796545.db2.gz HFWHMCDWWQQOCP-MNOVXSKESA-N 0 0 237.347 2.986 50 0 BFAARN CSCCCNC(=O)[C@H]1CCc2ccccc21 ZINC000216283600 385863575 /nfs/dbraw/zinc/86/35/75/385863575.db2.gz SIJMXKAZQPKCRO-ZDUSSCGKSA-N 0 0 249.379 2.586 50 0 BFAARN CSCCCNC(=O)[C@@H]1CCc2ccccc21 ZINC000216283555 385863787 /nfs/dbraw/zinc/86/37/87/385863787.db2.gz SIJMXKAZQPKCRO-CYBMUJFWSA-N 0 0 249.379 2.586 50 0 BFAARN Cc1ccc(C(=O)Nc2ccccc2F)n1C ZINC000031334941 385959195 /nfs/dbraw/zinc/95/91/95/385959195.db2.gz JNELFJCBMXBIEF-UHFFFAOYSA-N 0 0 232.258 2.725 50 0 BFAARN CSCCC(=O)N1c2ccccc2C[C@H]1C ZINC000032975251 386013123 /nfs/dbraw/zinc/01/31/23/386013123.db2.gz HHPDAUPWBOBIOL-SNVBAGLBSA-N 0 0 235.352 2.717 50 0 BFAARN COC(=O)c1ccc(Cl)c(F)c1Cl ZINC000263625230 386158983 /nfs/dbraw/zinc/15/89/83/386158983.db2.gz XXQCEIDMMAQXAF-UHFFFAOYSA-N 0 0 223.030 2.919 50 0 BFAARN Cc1noc(C)c1-c1cccc(C=O)c1 ZINC000224464179 386139655 /nfs/dbraw/zinc/13/96/55/386139655.db2.gz XJXVEYLKVSDPHZ-UHFFFAOYSA-N 0 0 201.225 2.771 50 0 BFAARN c1cc(-c2ccc(-n3ccnc3)cc2)on1 ZINC000001402340 386247567 /nfs/dbraw/zinc/24/75/67/386247567.db2.gz MMLRBASXQHDSGK-UHFFFAOYSA-N 0 0 211.224 2.527 50 0 BFAARN CC(C)CCCCNc1ncnc2oncc21 ZINC000225504187 386198771 /nfs/dbraw/zinc/19/87/71/386198771.db2.gz GOUNDJJHPVDYJS-UHFFFAOYSA-N 0 0 234.303 2.856 50 0 BFAARN Cc1noc(CN2CCc3sccc3[C@H]2C)n1 ZINC000044897046 386284116 /nfs/dbraw/zinc/28/41/16/386284116.db2.gz GWGZTMSPLGHULF-MRVPVSSYSA-N 0 0 249.339 2.559 50 0 BFAARN Cc1ccc(C(=O)Nc2ncc(Cl)cn2)cc1 ZINC000001403892 386262332 /nfs/dbraw/zinc/26/23/32/386262332.db2.gz SJISNJQZSFRFTR-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)no1 ZINC000052918037 386355248 /nfs/dbraw/zinc/35/52/48/386355248.db2.gz KFTGPOALGWOPPR-WCQYABFASA-N 0 0 248.326 2.778 50 0 BFAARN Cc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000003424080 386327505 /nfs/dbraw/zinc/32/75/05/386327505.db2.gz GPEDRPGPKYUYRK-UHFFFAOYSA-N 0 0 233.292 2.890 50 0 BFAARN O=C1O[C@H](Nc2ccccc2)c2ccccc21 ZINC000000434238 386330925 /nfs/dbraw/zinc/33/09/25/386330925.db2.gz IURBFWKNFNSBQW-ZDUSSCGKSA-N 0 0 225.247 2.968 50 0 BFAARN Cc1cc(CN(C)Cc2c(C)n[nH]c2C)c(C)o1 ZINC000019144608 386486362 /nfs/dbraw/zinc/48/63/62/386486362.db2.gz XAQBWPXHDLEGHZ-UHFFFAOYSA-N 0 0 247.342 2.868 50 0 BFAARN Nc1ccccc1-c1cn2ccsc2n1 ZINC000059183614 386515026 /nfs/dbraw/zinc/51/50/26/386515026.db2.gz VBTRGEPXLUXABC-UHFFFAOYSA-N 0 0 215.281 2.645 50 0 BFAARN Cc1ccnc(Sc2cccs2)n1 ZINC000095398906 386519299 /nfs/dbraw/zinc/51/92/99/386519299.db2.gz VHPLKGUAGSJVIZ-UHFFFAOYSA-N 0 0 208.311 2.998 50 0 BFAARN Cc1cc(Br)c(Cl)cc1NC=O ZINC000242687777 386549045 /nfs/dbraw/zinc/54/90/45/386549045.db2.gz UVJWFIINASCRKL-UHFFFAOYSA-N 0 0 248.507 2.979 50 0 BFAARN Cc1noc(CN(Cc2cccs2)C2CC2)n1 ZINC000045007336 386573729 /nfs/dbraw/zinc/57/37/29/386573729.db2.gz OFQARCOSVBWVRA-UHFFFAOYSA-N 0 0 249.339 2.604 50 0 BFAARN Cc1cc(C)c2c(=O)cc(C(F)F)oc2n1 ZINC000001425790 386638662 /nfs/dbraw/zinc/63/86/62/386638662.db2.gz BZBLZLFGWHDHKW-UHFFFAOYSA-N 0 0 225.194 2.742 50 0 BFAARN O=CN[C@H]1[C@@H]2CCC[C@H]1C1=C(CCCC1)C2 ZINC000004026895 386648083 /nfs/dbraw/zinc/64/80/83/386648083.db2.gz OPGGUOVDVBLPOW-XBFCOCLRSA-N 0 0 219.328 2.792 50 0 biogenic BFAARN CC1CCC(NC(=O)CC(F)(F)F)CC1 ZINC000040490338 168159065 /nfs/dbraw/zinc/15/90/65/168159065.db2.gz VQMQFDSTKVWPDF-UHFFFAOYSA-N 0 0 223.238 2.634 50 0 BFAARN Cc1nc(C(=O)Nc2c(F)cccc2F)co1 ZINC000022538167 386727830 /nfs/dbraw/zinc/72/78/30/386727830.db2.gz UPTISXMTCALVNB-UHFFFAOYSA-N 0 0 238.193 2.514 50 0 BFAARN Cc1ccc(C(=O)NC2CCC(C)CC2)o1 ZINC000012892778 386841246 /nfs/dbraw/zinc/84/12/46/386841246.db2.gz DOJMDUWSPPUASR-UHFFFAOYSA-N 0 0 221.300 2.897 50 0 BFAARN FC(F)c1csc(Br)n1 ZINC000107267928 386962990 /nfs/dbraw/zinc/96/29/90/386962990.db2.gz VQZDTVNJTFWZAG-UHFFFAOYSA-N 0 0 214.034 2.843 50 0 BFAARN CC(C)(C)n1ccc(NC(=O)[C@@H]2CC=CCC2)n1 ZINC000075134287 386984948 /nfs/dbraw/zinc/98/49/48/386984948.db2.gz LSMTYSLUHZXOPB-LLVKDONJSA-N 0 0 247.342 2.933 50 0 BFAARN FC1(F)CC(CSc2cccnn2)C1 ZINC000336269829 387104456 /nfs/dbraw/zinc/10/44/56/387104456.db2.gz PYTJVPLLONQWCN-UHFFFAOYSA-N 0 0 216.256 2.614 50 0 BFAARN CC(=O)Nc1cccc(NC(=O)C2CCC2)c1C ZINC000071846069 387121935 /nfs/dbraw/zinc/12/19/35/387121935.db2.gz QXIXGYOBQZCXIO-UHFFFAOYSA-N 0 0 246.310 2.692 50 0 BFAARN Nc1c(Br)ccc2cnccc12 ZINC000091302187 387155111 /nfs/dbraw/zinc/15/51/11/387155111.db2.gz TZHVTCQPCFBQGU-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN CC[C@@H](C(=O)Nc1cnoc1)c1ccccc1 ZINC000075170829 387155493 /nfs/dbraw/zinc/15/54/93/387155493.db2.gz AJMJTLNRHZLHCZ-GFCCVEGCSA-N 0 0 230.267 2.807 50 0 BFAARN O=C(CCSc1ccccc1)Nc1cnoc1 ZINC000075170871 387156117 /nfs/dbraw/zinc/15/61/17/387156117.db2.gz XVKVFVGQQUNEOO-UHFFFAOYSA-N 0 0 248.307 2.796 50 0 BFAARN CC(C)(C)C(=O)N1CCC(C(F)(F)F)CC1 ZINC000088439168 387179999 /nfs/dbraw/zinc/17/99/99/387179999.db2.gz AWAXUPCCRLVXOI-UHFFFAOYSA-N 0 0 237.265 2.833 50 0 BFAARN CC(C)c1nsc(N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000089893694 387188231 /nfs/dbraw/zinc/18/82/31/387188231.db2.gz HXLPXGKROWDMMH-NXEZZACHSA-N 0 0 237.372 2.898 50 0 BFAARN CC(C)CC(=O)Nc1ccc2[nH]cnc2c1 ZINC000074819833 387217924 /nfs/dbraw/zinc/21/79/24/387217924.db2.gz QXMSXUSUMSPIJK-UHFFFAOYSA-N 0 0 217.272 2.548 50 0 BFAARN Cc1ccc2nc(C)cc(C(=O)NC(C)C)c2c1 ZINC000064553231 387219715 /nfs/dbraw/zinc/21/97/15/387219715.db2.gz KORMQVLVKODYBN-UHFFFAOYSA-N 0 0 242.322 2.990 50 0 BFAARN CCc1cc(C(=O)NC2CCCCCC2)on1 ZINC000064555302 387220825 /nfs/dbraw/zinc/22/08/25/387220825.db2.gz KWLAHJLKQIWVNL-UHFFFAOYSA-N 0 0 236.315 2.690 50 0 BFAARN O=C(C1CC1)N1CCC[C@H]1c1cccs1 ZINC000033028509 387196915 /nfs/dbraw/zinc/19/69/15/387196915.db2.gz OWPGWTAMHQQVNN-JTQLQIEISA-N 0 0 221.325 2.822 50 0 BFAARN CCOC(=O)[C@]1(C)C2=C(CCC2=O)CC[C@@H]1C ZINC000045071825 387275064 /nfs/dbraw/zinc/27/50/64/387275064.db2.gz ILALNAMAFMHOCC-XPTSAGLGSA-N 0 0 236.311 2.645 50 0 BFAARN CCS[C@@H]1CCC[C@H]1Nc1ncccn1 ZINC000078996787 387308151 /nfs/dbraw/zinc/30/81/51/387308151.db2.gz VPRBOEVQQSNSGI-NXEZZACHSA-N 0 0 223.345 2.563 50 0 BFAARN CSCC(=O)Nc1ccc(C)cc1C ZINC000012976305 387357586 /nfs/dbraw/zinc/35/75/86/387357586.db2.gz YCZQVLLQRXUJGC-UHFFFAOYSA-N 0 0 209.314 2.605 50 0 BFAARN C[Si](C)(C)c1c(F)c(F)cc(F)c1F ZINC000169806234 387323869 /nfs/dbraw/zinc/32/38/69/387323869.db2.gz DICBYDJBYFFMTG-UHFFFAOYSA-N 0 0 222.257 2.788 50 0 BFAARN O=C1[C@@H]2Cc3ccccc3[C@H]2C1(Cl)Cl ZINC000004277426 387431380 /nfs/dbraw/zinc/43/13/80/387431380.db2.gz KAGZBEUEDMPZCQ-RKDXNWHRSA-N 0 0 227.090 2.699 50 0 BFAARN CNc1nccnc1-c1cc(C)ccc1C ZINC000084027835 387435135 /nfs/dbraw/zinc/43/51/35/387435135.db2.gz GGMFSQFOGUUPFV-UHFFFAOYSA-N 0 0 213.284 2.802 50 0 BFAARN Cc1oncc1CN1CCC(=C2CC2)CC1 ZINC000575606911 387394060 /nfs/dbraw/zinc/39/40/60/387394060.db2.gz OUPVWFOAAQENNO-UHFFFAOYSA-N 0 0 218.300 2.669 50 0 BFAARN O=C(C1CC1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000267954743 387521622 /nfs/dbraw/zinc/52/16/22/387521622.db2.gz BNENENABMSRJTR-GFCCVEGCSA-N 0 0 233.286 2.552 50 0 BFAARN O=C(C1CC1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000267954745 387522221 /nfs/dbraw/zinc/52/22/21/387522221.db2.gz BNENENABMSRJTR-LBPRGKRZSA-N 0 0 233.286 2.552 50 0 BFAARN CCCCC(=O)N[C@H]1CCC[C@H]1SCC ZINC000079000999 387462910 /nfs/dbraw/zinc/46/29/10/387462910.db2.gz HZLDLDHVDWJODZ-WDEREUQCSA-N 0 0 229.389 2.967 50 0 BFAARN O=C(Cc1ccoc1)Nc1ccccc1F ZINC000163620997 387479911 /nfs/dbraw/zinc/47/99/11/387479911.db2.gz UCSIFUVGYZOIDY-UHFFFAOYSA-N 0 0 219.215 2.600 50 0 BFAARN CCCc1cnc(C)nc1-c1ccc(OC)nc1 ZINC000426661193 387584641 /nfs/dbraw/zinc/58/46/41/387584641.db2.gz HHVUSJWZRNYCNX-UHFFFAOYSA-N 0 0 243.310 2.808 50 0 BFAARN Cc1ccc(C(=O)Nc2ccccc2C)cn1 ZINC000025506162 387628925 /nfs/dbraw/zinc/62/89/25/387628925.db2.gz BVSYCRMRZIUHHQ-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1nc(-c2cccnc2)nc2c1CCCC2 ZINC000426518366 387576130 /nfs/dbraw/zinc/57/61/30/387576130.db2.gz SCSBKLMANMSRCC-UHFFFAOYSA-N 0 0 225.295 2.726 50 0 BFAARN Cc1nccn1[C@@H](C)C(=O)N1CCCCCCC1 ZINC000426523257 387577906 /nfs/dbraw/zinc/57/79/06/387577906.db2.gz VQPIUWVMQTWLHQ-LBPRGKRZSA-N 0 0 249.358 2.545 50 0 BFAARN Cc1nccn1[C@H](C)C(=O)N1CCCCCCC1 ZINC000426523256 387578931 /nfs/dbraw/zinc/57/89/31/387578931.db2.gz VQPIUWVMQTWLHQ-GFCCVEGCSA-N 0 0 249.358 2.545 50 0 BFAARN CCO[C@@H](C)C(=O)NC1(c2cccc(C)c2)CC1 ZINC000426518978 387579272 /nfs/dbraw/zinc/57/92/72/387579272.db2.gz OBLXAUZQIKSWHQ-LBPRGKRZSA-N 0 0 247.338 2.525 50 0 BFAARN Cc1cc(=O)c2ccc(Br)cc2o1 ZINC000575444883 387655246 /nfs/dbraw/zinc/65/52/46/387655246.db2.gz HIXGFNGYVIUKGP-UHFFFAOYSA-N 0 0 239.068 2.864 50 0 BFAARN Cc1cc(C)cc(NC(=O)[C@@H](C)n2cccn2)c1 ZINC000012875843 177907167 /nfs/dbraw/zinc/90/71/67/177907167.db2.gz UBMQXCMXASKVQQ-GFCCVEGCSA-N 0 0 243.310 2.700 50 0 BFAARN CC(C)CCC(=O)NCCc1ccc(F)cc1 ZINC000049935908 387710656 /nfs/dbraw/zinc/71/06/56/387710656.db2.gz KULNPYVSXVYMSG-UHFFFAOYSA-N 0 0 237.318 2.921 50 0 BFAARN Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1C ZINC000006730587 387808410 /nfs/dbraw/zinc/80/84/10/387808410.db2.gz PHPBKIILYPSVTQ-OCCSQVGLSA-N 0 0 247.338 2.601 50 0 BFAARN COC(=O)c1cc2cccc(OC)c2s1 ZINC000039401085 387848167 /nfs/dbraw/zinc/84/81/67/387848167.db2.gz IOENHOOGSLPMNR-UHFFFAOYSA-N 0 0 222.265 2.697 50 0 BFAARN COC(=O)c1cc2c(ccnc2Cl)s1 ZINC000238390725 387856476 /nfs/dbraw/zinc/85/64/76/387856476.db2.gz GSMBIBQIYVACCI-UHFFFAOYSA-N 0 0 227.672 2.736 50 0 BFAARN CC(C)c1ccc(N(C)C(=O)c2cc[nH]n2)cc1 ZINC000155698134 387912611 /nfs/dbraw/zinc/91/26/11/387912611.db2.gz BJYIPWFTUPZLSI-UHFFFAOYSA-N 0 0 243.310 2.810 50 0 BFAARN COCCc1cccc(-c2ccns2)c1 ZINC000521398322 387922568 /nfs/dbraw/zinc/92/25/68/387922568.db2.gz MLPJERVCCMLHRG-UHFFFAOYSA-N 0 0 219.309 2.999 50 0 BFAARN COCCNc1cncc(-c2ccsc2)c1 ZINC000521398585 387923873 /nfs/dbraw/zinc/92/38/73/387923873.db2.gz RWOYHTGXJXGHMI-UHFFFAOYSA-N 0 0 234.324 2.868 50 0 BFAARN CC(C)c1ncc(-c2cccnc2)n1C ZINC000521398786 387927109 /nfs/dbraw/zinc/92/71/09/387927109.db2.gz BFPNDIXDVKCFCK-UHFFFAOYSA-N 0 0 201.273 2.606 50 0 BFAARN CC(C)CC(=O)N1CCN(C)Cc2ccccc21 ZINC000082277353 388020231 /nfs/dbraw/zinc/02/02/31/388020231.db2.gz SIPINNDSMCOWNK-UHFFFAOYSA-N 0 0 246.354 2.511 50 0 BFAARN Cc1ccn(CCCOc2ccccc2)c(=O)c1 ZINC000071513655 388096395 /nfs/dbraw/zinc/09/63/95/388096395.db2.gz CGENSWHCZRDTNJ-UHFFFAOYSA-N 0 0 243.306 2.626 50 0 BFAARN Cc1cc(CS[C@@H](C)c2nc(C)no2)no1 ZINC000071818636 388116194 /nfs/dbraw/zinc/11/61/94/388116194.db2.gz HZNACRXNSDJWME-ZETCQYMHSA-N 0 0 239.300 2.669 50 0 BFAARN CC(C)CC(=O)N1CCCN(C)c2ccccc21 ZINC000172428468 388159531 /nfs/dbraw/zinc/15/95/31/388159531.db2.gz ZVFZBYIIUJYSSZ-UHFFFAOYSA-N 0 0 246.354 2.906 50 0 BFAARN Cc1cc(C(=O)N[C@H](C)c2ccncc2)c(C)o1 ZINC000007184177 388260733 /nfs/dbraw/zinc/26/07/33/388260733.db2.gz OZIKOLJSKDIBLT-SNVBAGLBSA-N 0 0 244.294 2.782 50 0 BFAARN O=C(/C=C/c1cccs1)NCc1ccco1 ZINC000002151467 388358879 /nfs/dbraw/zinc/35/88/79/388358879.db2.gz LJGPHOBCMNGYGQ-AATRIKPKSA-N 0 0 233.292 2.671 50 0 BFAARN CCC[C@H](C)C(=O)N1CCCO[C@H]2CCC[C@H]21 ZINC000230086752 388360570 /nfs/dbraw/zinc/36/05/70/388360570.db2.gz YYUZZXMHNICMID-XQQFMLRXSA-N 0 0 239.359 2.593 50 0 BFAARN CC[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000057547482 388362419 /nfs/dbraw/zinc/36/24/19/388362419.db2.gz VRZFSVSRERGWKE-ZYHUDNBSSA-N 0 0 233.311 2.673 50 0 BFAARN Cc1noc(C)c1COc1ccccc1O ZINC000003163739 388366835 /nfs/dbraw/zinc/36/68/35/388366835.db2.gz KDQPAGCECTVRKX-UHFFFAOYSA-N 0 0 219.240 2.576 50 0 BFAARN CON(C)C(=O)Nc1c(C)cccc1Cl ZINC000132691012 388367145 /nfs/dbraw/zinc/36/71/45/388367145.db2.gz NCIAGBJSIRLGJB-UHFFFAOYSA-N 0 0 228.679 2.674 50 0 BFAARN Fc1cccc(F)c1C=NNc1ccccn1 ZINC000254812576 388368373 /nfs/dbraw/zinc/36/83/73/388368373.db2.gz MREPABCFVPWLHL-UHFFFAOYSA-N 0 0 233.221 2.806 50 0 BFAARN CCC[C@H](C)C(=O)N1CCCO[C@@H]2CCC[C@@H]21 ZINC000089949451 388375224 /nfs/dbraw/zinc/37/52/24/388375224.db2.gz YYUZZXMHNICMID-RWMBFGLXSA-N 0 0 239.359 2.593 50 0 BFAARN O=C(/C=C/c1cccc(F)c1)Nc1nccs1 ZINC000003549669 388382156 /nfs/dbraw/zinc/38/21/56/388382156.db2.gz SHTMRQNUGGJOJF-SNAWJCMRSA-N 0 0 248.282 2.934 50 0 BFAARN Cc1noc(C)c1CN(C)Cc1ccco1 ZINC000042366703 388442930 /nfs/dbraw/zinc/44/29/30/388442930.db2.gz BXUVRFWWZUSELA-UHFFFAOYSA-N 0 0 220.272 2.516 50 0 BFAARN Cc1noc(CN2CCC[C@H]2c2cccs2)n1 ZINC000042355921 388443091 /nfs/dbraw/zinc/44/30/91/388443091.db2.gz BZMDKGHYLYJOHY-JTQLQIEISA-N 0 0 249.339 2.777 50 0 BFAARN O=c1ccc(F)cn1Cc1cccc(Cl)c1 ZINC000071516312 388444643 /nfs/dbraw/zinc/44/46/43/388444643.db2.gz NIQRJUKXTPCMKE-UHFFFAOYSA-N 0 0 237.661 2.689 50 0 BFAARN Cc1noc(CN(Cc2ccccc2)C(C)C)n1 ZINC000042543137 388444857 /nfs/dbraw/zinc/44/48/57/388444857.db2.gz HFKKYTROPOZFPZ-UHFFFAOYSA-N 0 0 245.326 2.789 50 0 BFAARN COC[C@@H](C)NC(=O)c1ccc2ccccc2c1 ZINC000010109372 388444933 /nfs/dbraw/zinc/44/49/33/388444933.db2.gz IQBJVTBGQILHDJ-LLVKDONJSA-N 0 0 243.306 2.605 50 0 BFAARN CC(C)c1nc(CNC(=O)[C@@H]2C[C@@H]2C)cs1 ZINC000071879568 388447409 /nfs/dbraw/zinc/44/74/09/388447409.db2.gz IOURNVBNHGRUDO-WCBMZHEXSA-N 0 0 238.356 2.539 50 0 BFAARN CSC(C)(C)CNC(=O)N1CCCC1(C)C ZINC000193893629 388469574 /nfs/dbraw/zinc/46/95/74/388469574.db2.gz LFQNOEZBJQUARN-UHFFFAOYSA-N 0 0 244.404 2.712 50 0 BFAARN CCCCNC(=O)N[C@@H](C)c1cccc(O)c1 ZINC000068556318 388410636 /nfs/dbraw/zinc/41/06/36/388410636.db2.gz ASIXKLZWLWFCIB-JTQLQIEISA-N 0 0 236.315 2.553 50 0 BFAARN c1coc(-c2noc(CNc3ccccc3)n2)c1 ZINC000040057057 388411672 /nfs/dbraw/zinc/41/16/72/388411672.db2.gz VXAIRCTWFIZVNB-UHFFFAOYSA-N 0 0 241.250 2.942 50 0 BFAARN C[C@@H](NC(=O)C1CC1)c1ccc(Cl)s1 ZINC000040074654 388411761 /nfs/dbraw/zinc/41/17/61/388411761.db2.gz GRVINRCELRCURX-ZCFIWIBFSA-N 0 0 229.732 2.989 50 0 BFAARN Cc1cc(C(=O)N2CCCCC2)cs1 ZINC000016604626 177751079 /nfs/dbraw/zinc/75/10/79/177751079.db2.gz SFZOWYOOKPVREN-UHFFFAOYSA-N 0 0 209.314 2.683 50 0 BFAARN CONC(=O)/C=C/c1cccc2ccccc12 ZINC000069386500 388415193 /nfs/dbraw/zinc/41/51/93/388415193.db2.gz HPHNJJGDPSZGNM-MDZDMXLPSA-N 0 0 227.263 2.531 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)CC[C@H]1CCCO1 ZINC000040505762 388419093 /nfs/dbraw/zinc/41/90/93/388419093.db2.gz KFNWMMBKCVDUQE-CHWSQXEVSA-N 0 0 239.359 2.737 50 0 BFAARN CC(=O)c1cccc(NC(=O)NCC(C)C)c1 ZINC000040525790 388420495 /nfs/dbraw/zinc/42/04/95/388420495.db2.gz OOEYIFJAEZZYQP-UHFFFAOYSA-N 0 0 234.299 2.667 50 0 BFAARN Cc1cccnc1CNc1cc(Cl)nc(C)n1 ZINC000069663123 388423971 /nfs/dbraw/zinc/42/39/71/388423971.db2.gz NJGJKXGIYVYZKY-UHFFFAOYSA-N 0 0 248.717 2.754 50 0 BFAARN C[C@@H](NC(=O)NCc1ccccc1)c1ccco1 ZINC000009218336 388424163 /nfs/dbraw/zinc/42/41/63/388424163.db2.gz ZWPZUFCAHLSMCI-LLVKDONJSA-N 0 0 244.294 2.840 50 0 BFAARN Clc1cnn(CCOc2ccccc2)c1 ZINC000069696730 388424505 /nfs/dbraw/zinc/42/45/05/388424505.db2.gz LVAOWDJQNYDXRF-UHFFFAOYSA-N 0 0 222.675 2.616 50 0 BFAARN C[C@@H](NC(=O)Nc1cccnc1)c1ccccc1 ZINC000009322787 388429336 /nfs/dbraw/zinc/42/93/36/388429336.db2.gz BXBCZJPQWYKLQS-LLVKDONJSA-N 0 0 241.294 2.964 50 0 BFAARN COC(C)(C)C[C@H](C)NC(=O)c1ccc(C)o1 ZINC000173815288 388431002 /nfs/dbraw/zinc/43/10/02/388431002.db2.gz MDKXWTZDEKGTKJ-VIFPVBQESA-N 0 0 239.315 2.521 50 0 BFAARN CC(C)(C)OC(=O)NCCC(=O)c1ccccc1 ZINC000090636371 388438313 /nfs/dbraw/zinc/43/83/13/388438313.db2.gz PGVALDZADVCHBZ-UHFFFAOYSA-N 0 0 249.310 2.784 50 0 BFAARN C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)C1CC1 ZINC000008356967 388582461 /nfs/dbraw/zinc/58/24/61/388582461.db2.gz GWKSMFUXOZDKGW-WXLQGSQKSA-N 0 0 233.286 2.754 50 0 BFAARN CC(C)CCNc1ccc([S@@](C)=O)cc1 ZINC000225413707 388682328 /nfs/dbraw/zinc/68/23/28/388682328.db2.gz DRBFCOCMFNIHQB-OAHLLOKOSA-N 0 0 225.357 2.882 50 0 BFAARN Cc1cc(Br)cc(OC(F)F)n1 ZINC000091366005 388684108 /nfs/dbraw/zinc/68/41/08/388684108.db2.gz FVUZISOUEIXVIP-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN CC(C)(C)OC(=O)Oc1ccccc1C=O ZINC000108640662 388629741 /nfs/dbraw/zinc/62/97/41/388629741.db2.gz SENGEZPJIUIXTR-UHFFFAOYSA-N 0 0 222.240 2.813 50 0 BFAARN Cc1cc(-c2nc(-c3cccs3)no2)on1 ZINC000078773569 388739277 /nfs/dbraw/zinc/73/92/77/388739277.db2.gz AUIWCHQPDYIUHJ-UHFFFAOYSA-N 0 0 233.252 2.762 50 0 BFAARN O=C(c1ccon1)N1CCCCc2ccccc21 ZINC000089858401 388741261 /nfs/dbraw/zinc/74/12/61/388741261.db2.gz WCBNSPDONRKKHK-UHFFFAOYSA-N 0 0 242.278 2.658 50 0 BFAARN CC(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000089930518 388742230 /nfs/dbraw/zinc/74/22/30/388742230.db2.gz GIHSEHCHZFGZRV-ZDUSSCGKSA-N 0 0 209.333 2.968 50 0 BFAARN CCc1cc(NCc2ccccc2)n(C)n1 ZINC000079073401 388744636 /nfs/dbraw/zinc/74/46/36/388744636.db2.gz HHLDCJHHIMXXCI-UHFFFAOYSA-N 0 0 215.300 2.595 50 0 BFAARN CC(C)(C)NC(=O)N1Cc2ccccc2C1 ZINC000131002438 388694124 /nfs/dbraw/zinc/69/41/24/388694124.db2.gz HVYFEPPQYKBAPH-UHFFFAOYSA-N 0 0 218.300 2.510 50 0 BFAARN c1ccc2ncc(-c3cncnc3)cc2c1 ZINC000067789777 388700774 /nfs/dbraw/zinc/70/07/74/388700774.db2.gz HXBBLZCUSKLXPR-UHFFFAOYSA-N 0 0 207.236 2.692 50 0 BFAARN Cc1occc1C(=O)N1CCn2cccc2[C@@H]1C ZINC000012911865 388725144 /nfs/dbraw/zinc/72/51/44/388725144.db2.gz GMQHKVONWKOMRT-JTQLQIEISA-N 0 0 244.294 2.607 50 0 BFAARN O=C(CCC1CCCCC1)NOCC(F)F ZINC000095940164 388791873 /nfs/dbraw/zinc/79/18/73/388791873.db2.gz NBAYPKHBZLKVKS-UHFFFAOYSA-N 0 0 235.274 2.660 50 0 BFAARN CC[C@@H](C)[C@@H](CO)Nc1ccc(Cl)cn1 ZINC000095963227 388796403 /nfs/dbraw/zinc/79/64/03/388796403.db2.gz TYBNVUAADAAULD-PSASIEDQSA-N 0 0 228.723 2.554 50 0 BFAARN Cc1nc(-c2ccc(NCC3CC3)cc2)n[nH]1 ZINC000095983289 388799780 /nfs/dbraw/zinc/79/97/80/388799780.db2.gz YLTSNIGJNDQORS-UHFFFAOYSA-N 0 0 228.299 2.602 50 0 BFAARN CCCn1cc(N[C@H](C)Cc2ccncc2)cn1 ZINC000095991568 388801130 /nfs/dbraw/zinc/80/11/30/388801130.db2.gz GQJSEKPVDLWAOZ-GFCCVEGCSA-N 0 0 244.342 2.731 50 0 BFAARN Fc1ccc(CNc2nnc(Cl)s2)cc1 ZINC000095990294 388801212 /nfs/dbraw/zinc/80/12/12/388801212.db2.gz FOSCNLYCFWXUBY-UHFFFAOYSA-N 0 0 243.694 2.943 50 0 BFAARN CN=c1scc(-c2c[nH]c3ccccc23)n1C ZINC000254517168 388813808 /nfs/dbraw/zinc/81/38/08/388813808.db2.gz LPRBKQIUVLWERN-UHFFFAOYSA-N 0 0 243.335 2.765 50 0 BFAARN Cn1nc(-c2cccc3ccsc32)ccc1=O ZINC000096137357 388809909 /nfs/dbraw/zinc/80/99/09/388809909.db2.gz MQJZLETXTXLWSG-UHFFFAOYSA-N 0 0 242.303 2.662 50 0 BFAARN Cc1cc(=O)[nH]c(SCc2ccccc2C)n1 ZINC000015906531 177710609 /nfs/dbraw/zinc/71/06/09/177710609.db2.gz NCLSIUMTGOSZEC-UHFFFAOYSA-N 0 0 246.335 2.679 50 0 BFAARN Nc1cnc2ccc(C(F)(F)F)cc2c1 ZINC000095831046 388787317 /nfs/dbraw/zinc/78/73/17/388787317.db2.gz BEYOSZHIAWYERF-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN CC(C)c1nc2nccc(-c3cccs3)n2n1 ZINC000096344175 388815562 /nfs/dbraw/zinc/81/55/62/388815562.db2.gz CYDMTIKEVYZQHH-UHFFFAOYSA-N 0 0 244.323 2.976 50 0 BFAARN CSCC[C@@H](C)N(C)c1ncccc1F ZINC000096483052 388819721 /nfs/dbraw/zinc/81/97/21/388819721.db2.gz DEAAAQRWAPLADP-SECBINFHSA-N 0 0 228.336 2.799 50 0 BFAARN Cc1ccn(Cc2ccc(OC(F)F)cc2)n1 ZINC000097021482 388830086 /nfs/dbraw/zinc/83/00/86/388830086.db2.gz OYVMCWRVXQOILG-UHFFFAOYSA-N 0 0 238.237 2.841 50 0 BFAARN CCC1(NC(=O)c2ccc(N)c(C)c2)CCC1 ZINC000097020215 388830569 /nfs/dbraw/zinc/83/05/69/388830569.db2.gz NOXQTDMNPXEVKS-UHFFFAOYSA-N 0 0 232.327 2.640 50 0 BFAARN Cc1cc(C(=O)N(C)CC2CC2)c(C)s1 ZINC000055519936 388840645 /nfs/dbraw/zinc/84/06/45/388840645.db2.gz FOPKYDRKMYRIMK-UHFFFAOYSA-N 0 0 223.341 2.847 50 0 BFAARN Cc1cc(-c2nc(-c3ccccc3C)no2)n[nH]1 ZINC000008793591 177688293 /nfs/dbraw/zinc/68/82/93/177688293.db2.gz IZEAOJPFGJAOJK-UHFFFAOYSA-N 0 0 240.266 2.744 50 0 BFAARN Cc1ccc(C)c(NC(=O)N2CCSC2)c1 ZINC000028232209 388848020 /nfs/dbraw/zinc/84/80/20/388848020.db2.gz TWLXCXRYNFFRDP-UHFFFAOYSA-N 0 0 236.340 2.842 50 0 BFAARN CCO[C@H](C(=O)OC(C)C)c1ccccc1 ZINC000194867154 388900767 /nfs/dbraw/zinc/90/07/67/388900767.db2.gz RETKFSAQRXGKOQ-LBPRGKRZSA-N 0 0 222.284 2.716 50 0 BFAARN Cc1c2c(nn1C)nc(Cl)cc2C(F)(F)F ZINC000012398071 177636147 /nfs/dbraw/zinc/63/61/47/177636147.db2.gz GHYCXHDYCSSEPU-UHFFFAOYSA-N 0 0 249.623 2.949 50 0 BFAARN CCN(C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000069700960 169685382 /nfs/dbraw/zinc/68/53/82/169685382.db2.gz ZCLPBFUTGFTQTH-UHFFFAOYSA-N 0 0 230.670 2.963 50 0 BFAARN Cc1csc2ncnc(N3CCCCC3)c12 ZINC000000082581 132312592 /nfs/dbraw/zinc/31/25/92/132312592.db2.gz LIYUJGDCOOAAFR-UHFFFAOYSA-N 0 0 233.340 2.990 50 0 BFAARN CC1=CC(C)(C)N(C(N)=S)c2ccccc21 ZINC000000360608 132313519 /nfs/dbraw/zinc/31/35/19/132313519.db2.gz BCCWPLPFRPPUFG-UHFFFAOYSA-N 0 0 232.352 2.932 50 0 BFAARN O=C(c1ccncc1)N1CCCc2ccccc21 ZINC000003159736 132314265 /nfs/dbraw/zinc/31/42/65/132314265.db2.gz OOZBCYPXVXQUCG-UHFFFAOYSA-N 0 0 238.290 2.675 50 0 BFAARN Cc1nc2sccc2c(N2CCCCC2)n1 ZINC000002886851 132315089 /nfs/dbraw/zinc/31/50/89/132315089.db2.gz HNOSYRPQPYTXTK-UHFFFAOYSA-N 0 0 233.340 2.990 50 0 BFAARN Cc1ccc(N2CCC[C@H](C)C2)c(N)c1 ZINC000008702593 132319295 /nfs/dbraw/zinc/31/92/95/132319295.db2.gz SCFSIFALKXHKGZ-NSHDSACASA-N 0 0 204.317 2.814 50 0 BFAARN CC(C)(C)C(=O)N1CCCc2cc(N)ccc21 ZINC000012364923 132320993 /nfs/dbraw/zinc/32/09/93/132320993.db2.gz JYMSOGPWHDGQPP-UHFFFAOYSA-N 0 0 232.327 2.594 50 0 BFAARN C[C@H]1CN(c2ccc(N)cc2Cl)C[C@H](C)O1 ZINC000019094117 132324299 /nfs/dbraw/zinc/32/42/99/132324299.db2.gz AFDLMBVDIMFVHA-IUCAKERBSA-N 0 0 240.734 2.536 50 0 BFAARN O=C1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000019474950 132325529 /nfs/dbraw/zinc/32/55/29/132325529.db2.gz WQOAAEMEPSSOEB-UHFFFAOYSA-N 0 0 243.228 2.875 50 0 BFAARN O=C1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019486132 132325537 /nfs/dbraw/zinc/32/55/37/132325537.db2.gz DXMHBFPTUPSOKC-UHFFFAOYSA-N 0 0 243.228 2.875 50 0 BFAARN Nc1ccccc1N1CCc2sccc2C1 ZINC000021963288 132332358 /nfs/dbraw/zinc/33/23/58/132332358.db2.gz TUIAVZZPRHDEMY-UHFFFAOYSA-N 0 0 230.336 2.893 50 0 BFAARN O=C(C1CCC1)N1CCCc2ccccc21 ZINC000032918846 132335752 /nfs/dbraw/zinc/33/57/52/132335752.db2.gz JDLFQWXFKDEXRP-UHFFFAOYSA-N 0 0 215.296 2.766 50 0 BFAARN C[C@H]1C[C@H]1C(=O)N1CCCc2ccccc21 ZINC000032975324 132335916 /nfs/dbraw/zinc/33/59/16/132335916.db2.gz HRKQJDIJINBUOC-CMPLNLGQSA-N 0 0 215.296 2.622 50 0 BFAARN Nc1c2cccnc2ccc1N1CCCCC1 ZINC000037377339 132344131 /nfs/dbraw/zinc/34/41/31/132344131.db2.gz ZHPFZJYJGJIKMD-UHFFFAOYSA-N 0 0 227.311 2.807 50 0 BFAARN C[C@@H]1CCCCN1c1cncc(Cl)n1 ZINC000042783551 132352658 /nfs/dbraw/zinc/35/26/58/132352658.db2.gz RONDOTOMBIFVEX-MRVPVSSYSA-N 0 0 211.696 2.509 50 0 BFAARN CC[C@@H]1CCCCN1c1cc(=S)[nH]cn1 ZINC000045918623 132355010 /nfs/dbraw/zinc/35/50/10/132355010.db2.gz YRZYETZCYPNNOW-SECBINFHSA-N 0 0 223.345 2.908 50 0 BFAARN c1cc(CN2CCN(c3ccccc3)CC2)co1 ZINC000055543558 132365556 /nfs/dbraw/zinc/36/55/56/132365556.db2.gz JXUJXRYDQGBEHA-UHFFFAOYSA-N 0 0 242.322 2.602 50 0 BFAARN Cc1cccc(N2C=CC(C)(C)NC2=S)c1 ZINC000056656617 132365694 /nfs/dbraw/zinc/36/56/94/132365694.db2.gz YHORUKGGDHDXQP-UHFFFAOYSA-N 0 0 232.352 2.982 50 0 BFAARN c1cc(-c2ccnc(N3CCCCC3)n2)ccn1 ZINC000067320815 132390230 /nfs/dbraw/zinc/39/02/30/132390230.db2.gz AWUQDYNGCXNASI-UHFFFAOYSA-N 0 0 240.310 2.529 50 0 BFAARN Nc1ccc(Cl)cc1N1CCCCC1 ZINC000072319847 132396494 /nfs/dbraw/zinc/39/64/94/132396494.db2.gz LCMXORPWQZAMOD-UHFFFAOYSA-N 0 0 210.708 2.913 50 0 BFAARN CCN(C(=O)Nc1c(C)cccc1C)C1COC1 ZINC000334500789 133654920 /nfs/dbraw/zinc/65/49/20/133654920.db2.gz ZFXBMMMEWGHHJG-UHFFFAOYSA-N 0 0 248.326 2.556 50 0 BFAARN C[C@H]1CC[C@H](C)N1C(=O)CCC(F)(F)F ZINC000336035170 134059335 /nfs/dbraw/zinc/05/93/35/134059335.db2.gz PDYFWLBWNPVSSQ-YUMQZZPRSA-N 0 0 223.238 2.728 50 0 BFAARN Cc1cccnc1NC(=O)C(C)(C)C(F)F ZINC000336058738 134067273 /nfs/dbraw/zinc/06/72/73/134067273.db2.gz ZIEJXDPPIIWJCM-UHFFFAOYSA-N 0 0 228.242 2.620 50 0 BFAARN O=C(CC1CC(F)(F)C1)N[C@@H]1C=CCCC1 ZINC000336200577 134130428 /nfs/dbraw/zinc/13/04/28/134130428.db2.gz CVGHFCZTZSVNIK-SNVBAGLBSA-N 0 0 229.270 2.647 50 0 BFAARN O=C1OC[C@H](Sc2ccc3c(c2)CCC3)O1 ZINC000408516400 134810036 /nfs/dbraw/zinc/81/00/36/134810036.db2.gz YDUWUDCBJXDSPU-NSHDSACASA-N 0 0 236.292 2.760 50 0 BFAARN O=C(C1CC=CC1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000076985119 135055321 /nfs/dbraw/zinc/05/53/21/135055321.db2.gz QCBVNZPXMGZBJL-AAEUAGOBSA-N 0 0 219.328 2.744 50 0 BFAARN CCCn1nc(C)c(/C=C\c2ccncn2)c1C ZINC000255063743 135128282 /nfs/dbraw/zinc/12/82/82/135128282.db2.gz ACJOFJIYAQFWBD-WAYWQWQTSA-N 0 0 242.326 2.870 50 0 BFAARN C[C@H]1C[C@H](C(=O)[O-])C[N@H+](CCC2CCCC2)C1 ZINC000263344236 135348283 /nfs/dbraw/zinc/34/82/83/135348283.db2.gz OEESEFVVLGMYCO-AAEUAGOBSA-N 0 0 239.359 2.609 50 0 BFAARN Cc1ccsc1CN(C)c1cncc(C)n1 ZINC000334349110 135368013 /nfs/dbraw/zinc/36/80/13/135368013.db2.gz UOVKCROUFHNHJO-UHFFFAOYSA-N 0 0 233.340 2.791 50 0 BFAARN CN(Cc1ccco1)C(=O)c1cc(Cl)c[nH]1 ZINC000032820575 135810407 /nfs/dbraw/zinc/81/04/07/135810407.db2.gz ZBGFQYYBTOTAAD-UHFFFAOYSA-N 0 0 238.674 2.533 50 0 BFAARN CC[C@H](C)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000335336423 136055760 /nfs/dbraw/zinc/05/57/60/136055760.db2.gz JDQTUJAOSGIAIM-DTWKUNHWSA-N 0 0 219.275 2.727 50 0 BFAARN Cc1coc(SCc2ccc(F)cn2)n1 ZINC000335384541 136088395 /nfs/dbraw/zinc/08/83/95/136088395.db2.gz ZHYQXRXWYSKJNU-UHFFFAOYSA-N 0 0 224.260 2.809 50 0 BFAARN CC(C)CCOc1ccc(C(=O)N(C)C)cc1 ZINC000020117177 166880518 /nfs/dbraw/zinc/88/05/18/166880518.db2.gz CKFALOMXPZWGKK-UHFFFAOYSA-N 0 0 235.327 2.813 50 0 BFAARN CS[C@@H]1CCCC[C@H]1NC(=O)NC1CCC1 ZINC000098012734 397804292 /nfs/dbraw/zinc/80/42/92/397804292.db2.gz BFVWTHJVGQKKFP-GHMZBOCLSA-N 0 0 242.388 2.512 50 0 BFAARN CCCc1csc(-c2cnccn2)n1 ZINC000098012656 397804461 /nfs/dbraw/zinc/80/44/61/397804461.db2.gz WFQITLMGZQPIIL-UHFFFAOYSA-N 0 0 205.286 2.553 50 0 BFAARN CC(C)c1noc(N2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000098013792 397804548 /nfs/dbraw/zinc/80/45/48/397804548.db2.gz ZVTKARIFQGIXJP-PHIMTYICSA-N 0 0 233.315 2.595 50 0 BFAARN O=Cc1cccc(-c2ccc(F)cc2F)n1 ZINC000020443263 397964869 /nfs/dbraw/zinc/96/48/69/397964869.db2.gz JHJHFOLZKPEAIE-UHFFFAOYSA-N 0 0 219.190 2.839 50 0 BFAARN O=C(/C=C/c1ccc(F)cc1)N1CCCCC1 ZINC000000432888 397914691 /nfs/dbraw/zinc/91/46/91/397914691.db2.gz JEDYXKIAEGBYIE-RMKNXTFCSA-N 0 0 233.286 2.851 50 0 BFAARN Cc1csc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000000439144 397915335 /nfs/dbraw/zinc/91/53/35/397915335.db2.gz TWKOKBQQEGAVOJ-IVZWLZJFSA-N 0 0 236.340 2.826 50 0 BFAARN C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccccn1 ZINC000028780630 397990816 /nfs/dbraw/zinc/99/08/16/397990816.db2.gz FCBQPQAKQOKQMW-NEPJUHHUSA-N 0 0 230.311 2.615 50 0 BFAARN O=C([O-])C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000034959551 398017787 /nfs/dbraw/zinc/01/77/87/398017787.db2.gz OWZQKRNNHNPJFZ-UHFFFAOYSA-N 0 0 241.290 2.528 50 0 BFAARN CC(C)(C)c1ccc2c(c1)C(=O)CCN2 ZINC000071481810 397975330 /nfs/dbraw/zinc/97/53/30/397975330.db2.gz QSKCEMJCIRPNHG-UHFFFAOYSA-N 0 0 203.285 2.982 50 0 BFAARN CCONC(=O)CCCc1c[nH]c2ccccc12 ZINC000022874522 397976245 /nfs/dbraw/zinc/97/62/45/397976245.db2.gz KETDPTZMTIGLDK-UHFFFAOYSA-N 0 0 246.310 2.558 50 0 BFAARN CCN(CC(C)(C)O)C(=O)C1CCCCCC1 ZINC000081746451 398067477 /nfs/dbraw/zinc/06/74/77/398067477.db2.gz DEXNNQGHHLBJFM-UHFFFAOYSA-N 0 0 241.375 2.576 50 0 BFAARN c1cnc2nc(NC(C3CC3)C3CC3)ccc2n1 ZINC000083419933 398067803 /nfs/dbraw/zinc/06/78/03/398067803.db2.gz DUVQLEXHFLJTKF-UHFFFAOYSA-N 0 0 240.310 2.625 50 0 BFAARN COc1c(F)ccc(C)c1Br ZINC000065337302 398083135 /nfs/dbraw/zinc/08/31/35/398083135.db2.gz WMVJNOVUUDBCEQ-UHFFFAOYSA-N 0 0 219.053 2.905 50 0 BFAARN Fc1cc2nsnc2cc1Br ZINC000065337090 398083170 /nfs/dbraw/zinc/08/31/70/398083170.db2.gz ASAVGHCROROMLC-UHFFFAOYSA-N 0 0 233.065 2.593 50 0 BFAARN O=c1cc(-c2cc(F)cc(Cl)c2)cc[nH]1 ZINC000065339282 398083412 /nfs/dbraw/zinc/08/34/12/398083412.db2.gz JJTPIURGNYLXEO-UHFFFAOYSA-N 0 0 223.634 2.834 50 0 BFAARN CC(C)NC(=O)c1ccc(OC(C)C)cc1 ZINC000014038497 167087501 /nfs/dbraw/zinc/08/75/01/167087501.db2.gz QBAMFMWYHKHRLV-UHFFFAOYSA-N 0 0 221.300 2.612 50 0 BFAARN CC(C)NC(=O)c1ccc(Br)s1 ZINC000013322885 167088898 /nfs/dbraw/zinc/08/88/98/167088898.db2.gz HZWCBYUNRDYUJM-UHFFFAOYSA-N 0 0 248.145 2.649 50 0 BFAARN COc1ccc(F)c(-c2c[nH]c(C)n2)c1 ZINC000032590480 322898753 /nfs/dbraw/zinc/89/87/53/322898753.db2.gz ZIGRAAIIIMJASZ-UHFFFAOYSA-N 0 0 206.220 2.533 50 0 BFAARN Cc1cc(C(N)=O)sc1-c1ccc(F)cc1 ZINC000069567260 410010251 /nfs/dbraw/zinc/01/02/51/410010251.db2.gz BNKGCFJYSNZWBX-UHFFFAOYSA-N 0 0 235.283 2.962 50 0 BFAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)NC1CC1 ZINC000022383339 410043992 /nfs/dbraw/zinc/04/39/92/410043992.db2.gz LKICRLLUOHQWDZ-SECBINFHSA-N 0 0 236.290 2.691 50 0 BFAARN Brc1[nH]cnc1-c1ccccc1 ZINC000005908596 166096216 /nfs/dbraw/zinc/09/62/16/166096216.db2.gz WWEWUNPNFOWRQI-UHFFFAOYSA-N 0 0 223.073 2.839 50 0 BFAARN Brc1ccc(OC2CCC2)cn1 ZINC000072193033 166098008 /nfs/dbraw/zinc/09/80/08/166098008.db2.gz HMBZGGINIPDMQO-UHFFFAOYSA-N 0 0 228.089 2.775 50 0 BFAARN Brc1ccc2c(c1)OCCC2 ZINC000108274991 166099420 /nfs/dbraw/zinc/09/94/20/166099420.db2.gz BCDHMTIEVNKNCV-UHFFFAOYSA-N 0 0 213.074 2.774 50 0 BFAARN Brc1cccc2cnccc12 ZINC000000158610 166101020 /nfs/dbraw/zinc/10/10/20/166101020.db2.gz CYJZJGYYTFQQBY-UHFFFAOYSA-N 0 0 208.058 2.997 50 0 in-vitro BFAARN Brc1ccsc1-c1cc[nH]n1 ZINC000001390570 166103292 /nfs/dbraw/zinc/10/32/92/166103292.db2.gz GHQQEFVAZIMSDU-UHFFFAOYSA-N 0 0 229.102 2.901 50 0 BFAARN Brc1cocc1Br ZINC000002245234 166105833 /nfs/dbraw/zinc/10/58/33/166105833.db2.gz ZBNAIRILIJMDEE-UHFFFAOYSA-N 0 0 225.867 2.805 50 0 BFAARN C(=C/c1ccc2c(c1)OCO2)\c1ccncc1 ZINC000000197177 166226628 /nfs/dbraw/zinc/22/66/28/166226628.db2.gz YOBLRHFAUWAOPW-OWOJBTEDSA-N 0 0 225.247 2.981 50 0 BFAARN C(=C\c1ccccc1)\CSc1c[nH]nn1 ZINC000222086647 166228045 /nfs/dbraw/zinc/22/80/45/166228045.db2.gz ASVMKGFBWJSGDB-DAXSKMNVSA-N 0 0 217.297 2.610 50 0 BFAARN CCN(CC)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000000152061 169754609 /nfs/dbraw/zinc/75/46/09/169754609.db2.gz LAARJUVNGXTBDJ-UHFFFAOYSA-N 0 0 249.314 2.519 50 0 BFAARN C/C(=C/C(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000055422457 166231521 /nfs/dbraw/zinc/23/15/21/166231521.db2.gz WWXCVJMHLPVYGK-HBZFWMSSSA-N 0 0 249.354 2.513 50 0 BFAARN CCN(CC)C(=O)N[C@H]1CCCc2occc21 ZINC000084770956 169755108 /nfs/dbraw/zinc/75/51/08/169755108.db2.gz BEWNHHKZUAVCBY-NSHDSACASA-N 0 0 236.315 2.708 50 0 BFAARN CC(=O)c1ccc(OC(F)F)c(F)c1 ZINC000047203334 166467574 /nfs/dbraw/zinc/46/75/74/166467574.db2.gz HNQUSNIIWACZIY-UHFFFAOYSA-N 0 0 204.147 2.630 50 0 BFAARN CC(=O)c1ncc(Br)cc1Cl ZINC000097758803 166490109 /nfs/dbraw/zinc/49/01/09/166490109.db2.gz WOJJYMNRQWXZJI-UHFFFAOYSA-N 0 0 234.480 2.700 50 0 BFAARN CC(C)(C)C(=O)OCCCc1cccnc1 ZINC000097044178 166534827 /nfs/dbraw/zinc/53/48/27/166534827.db2.gz BROOOMZPMGLGED-UHFFFAOYSA-N 0 0 221.300 2.604 50 0 BFAARN CC(C)(C)N1C(=O)CC(=O)C[C@H]1c1ccccc1 ZINC000001402367 166608189 /nfs/dbraw/zinc/60/81/89/166608189.db2.gz VLLWCNTUXHROIS-ZDUSSCGKSA-N 0 0 245.322 2.718 50 0 BFAARN CC(C)(C)NC(=O)NCc1cccc(Cl)c1 ZINC000000399198 166621503 /nfs/dbraw/zinc/62/15/03/166621503.db2.gz DBBDLJBJSHSEAA-UHFFFAOYSA-N 0 0 240.734 2.938 50 0 BFAARN CC(C)(C)OC(=O)N1CCC[C@H](CF)C1 ZINC000071257516 166648056 /nfs/dbraw/zinc/64/80/56/166648056.db2.gz WVPOYHXYOTZWPR-SECBINFHSA-N 0 0 217.284 2.603 50 0 BFAARN CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C(=O)CCC2 ZINC000000481821 166658589 /nfs/dbraw/zinc/65/85/89/166658589.db2.gz VLBIITJVZKIBAL-NXEZZACHSA-N 0 0 239.315 2.508 50 0 BFAARN CC(C)CC(=O)Nc1nonc1-c1ccccc1 ZINC000005424591 166773206 /nfs/dbraw/zinc/77/32/06/166773206.db2.gz OPWQLJSPEFMLBD-UHFFFAOYSA-N 0 0 245.282 2.721 50 0 BFAARN CC(C)CNC(=O)Cc1ccc2c(c1)CCCC2 ZINC000040162096 166986672 /nfs/dbraw/zinc/98/66/72/166986672.db2.gz ABOUGBGUVUIMTR-UHFFFAOYSA-N 0 0 245.366 2.880 50 0 BFAARN CC(C)CNc1ncnc(-c2ccccc2)c1N ZINC000040428639 167019125 /nfs/dbraw/zinc/01/91/25/167019125.db2.gz UVWGWZAYBHUPGB-UHFFFAOYSA-N 0 0 242.326 2.794 50 0 BFAARN CC(C)N1CC[C@H](Sc2cccs2)C1=O ZINC000098016319 167028737 /nfs/dbraw/zinc/02/87/37/167028737.db2.gz CBCKWHAAPCKBPH-VIFPVBQESA-N 0 0 241.381 2.850 50 0 BFAARN CC(C)NC(=O)CCSc1ccccc1 ZINC000000444229 167044348 /nfs/dbraw/zinc/04/43/48/167044348.db2.gz DPPKXDYOKMQYRD-UHFFFAOYSA-N 0 0 223.341 2.693 50 0 BFAARN CC(C)NC(=O)[C@@H]1CCCc2ccccc21 ZINC000013022015 167081225 /nfs/dbraw/zinc/08/12/25/167081225.db2.gz SXCAVZFMHYAVRF-CYBMUJFWSA-N 0 0 217.312 2.631 50 0 BFAARN CC(C)NC(=O)c1ccc(Br)cc1 ZINC000003165223 167086516 /nfs/dbraw/zinc/08/65/16/167086516.db2.gz PWXNCWKINUCUPV-UHFFFAOYSA-N 0 0 242.116 2.587 50 0 BFAARN CC(C)NC(=O)c1cccc(Br)c1 ZINC000000029880 167088307 /nfs/dbraw/zinc/08/83/07/167088307.db2.gz FRETYNHHZZBJMZ-UHFFFAOYSA-N 0 0 242.116 2.587 50 0 BFAARN CC(C)NC(=O)c1ccc(Cl)cc1F ZINC000050822916 167088397 /nfs/dbraw/zinc/08/83/97/167088397.db2.gz XLXYIMPGNZQINN-UHFFFAOYSA-N 0 0 215.655 2.617 50 0 BFAARN CC(C)Nc1nc2c(ncnc2Cl)s1 ZINC000026896958 167150016 /nfs/dbraw/zinc/15/00/16/167150016.db2.gz MRQQYAMBJJWLRQ-UHFFFAOYSA-N 0 0 228.708 2.560 50 0 BFAARN CC(C)OC(=O)COc1ccc(Cl)cc1 ZINC000001733072 167158477 /nfs/dbraw/zinc/15/84/77/167158477.db2.gz RDUMUXSLQNRSAF-UHFFFAOYSA-N 0 0 228.675 2.670 50 0 BFAARN CC(C)Oc1cc(Br)ccc1CO ZINC000037475733 167284883 /nfs/dbraw/zinc/28/48/83/167284883.db2.gz MOTNBELKJSKSRA-UHFFFAOYSA-N 0 0 245.116 2.729 50 0 BFAARN CC(C)Oc1ccc(CO)cc1Cl ZINC000008727806 167294230 /nfs/dbraw/zinc/29/42/30/167294230.db2.gz MRVXSFWBBUOXAA-UHFFFAOYSA-N 0 0 200.665 2.620 50 0 BFAARN CC(C)Oc1cccc(C(=O)N2CCCC2)c1 ZINC000000442780 167304414 /nfs/dbraw/zinc/30/44/14/167304414.db2.gz INYOQEBFCAMSNM-UHFFFAOYSA-N 0 0 233.311 2.710 50 0 BFAARN CC(C)SCCS(=O)(=O)c1ccccc1 ZINC000096403295 167333593 /nfs/dbraw/zinc/33/35/93/167333593.db2.gz PVPRIANOBJHMMD-UHFFFAOYSA-N 0 0 244.381 2.602 50 0 BFAARN CC(C)Sc1nc2ccccc2n2cnnc12 ZINC000006703817 167338007 /nfs/dbraw/zinc/33/80/07/167338007.db2.gz HLQHTJGLBRIRJR-UHFFFAOYSA-N 0 0 244.323 2.778 50 0 BFAARN CC(C)Sc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000013111191 167338842 /nfs/dbraw/zinc/33/88/42/167338842.db2.gz BWCDXFKHHAJBLH-UHFFFAOYSA-N 0 0 246.335 2.937 50 0 BFAARN CC(C)[C@@H](C)NC(=O)CCc1cccc(F)c1 ZINC000040476642 167372844 /nfs/dbraw/zinc/37/28/44/167372844.db2.gz QRWJDZUFSHDSEY-LLVKDONJSA-N 0 0 237.318 2.919 50 0 BFAARN CC/C=C\COC(=O)c1scnc1C ZINC000104164357 410925819 /nfs/dbraw/zinc/92/58/19/410925819.db2.gz PELINRFOEMVHAJ-PLNGDYQASA-N 0 0 211.286 2.575 50 0 BFAARN CC(C)[C@@H]([NH2+]Cc1cccc(Cl)c1)C(=O)[O-] ZINC000019787752 167432445 /nfs/dbraw/zinc/43/24/45/167432445.db2.gz RQEWDLKDPJJMTM-LLVKDONJSA-N 0 0 241.718 2.539 50 0 BFAARN O=C(CC(F)(F)F)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000044601575 411138289 /nfs/dbraw/zinc/13/82/89/411138289.db2.gz IGBRBWYENLMOSF-VHSXEESVSA-N 0 0 249.276 2.978 50 0 BFAARN CC(C)c1nc(CC(=O)NC(C)(C)C)cs1 ZINC000042795091 167659730 /nfs/dbraw/zinc/65/97/30/167659730.db2.gz UEKXDYFGWWLBBL-UHFFFAOYSA-N 0 0 240.372 2.724 50 0 BFAARN CC(C)c1nnc2c(=S)[nH]c3ccccc3n21 ZINC000051353987 167713867 /nfs/dbraw/zinc/71/38/67/167713867.db2.gz GSTMQTDFCKEUGK-UHFFFAOYSA-N 0 0 244.323 2.690 50 0 BFAARN CC(C)c1noc(N2CCCCCC2)n1 ZINC000089893652 167721258 /nfs/dbraw/zinc/72/12/58/167721258.db2.gz IIDQOVHNDZORNS-UHFFFAOYSA-N 0 0 209.293 2.573 50 0 BFAARN CC(C)c1noc(NC(=O)CC2CCCC2)n1 ZINC000096411648 167724056 /nfs/dbraw/zinc/72/40/56/167724056.db2.gz DZYRMEYBTNIVGI-UHFFFAOYSA-N 0 0 237.303 2.712 50 0 BFAARN Fc1cccc(CN2CCSCC2)c1F ZINC000047987572 411169563 /nfs/dbraw/zinc/16/95/63/411169563.db2.gz HQIRTXYNGGKRJN-UHFFFAOYSA-N 0 0 229.295 2.514 50 0 BFAARN CCN(CC)c1ccc(-c2cc[nH]n2)cc1 ZINC000065395275 169803531 /nfs/dbraw/zinc/80/35/31/169803531.db2.gz DQCDVNXTWCKGIO-UHFFFAOYSA-N 0 0 215.300 2.923 50 0 BFAARN CC/C=C(/C)C(=O)NCc1cccc(OC)c1 ZINC000058160980 167827127 /nfs/dbraw/zinc/82/71/27/167827127.db2.gz LPVDDCAADGMNKR-WDZFZDKYSA-N 0 0 233.311 2.668 50 0 BFAARN CC1(C)CN(c2ccc(-c3ccno3)cc2)C1=O ZINC000001383244 167964558 /nfs/dbraw/zinc/96/45/58/167964558.db2.gz VHGUIMDRRDIHJN-UHFFFAOYSA-N 0 0 242.278 2.714 50 0 BFAARN CC12CN3CC(C)(CN(C1)C3c1ccccc1)C2 ZINC000019322740 168073977 /nfs/dbraw/zinc/07/39/77/168073977.db2.gz UNBLHIWSJSBMRS-UHFFFAOYSA-N 0 0 242.366 2.733 50 0 BFAARN CC1=C(C)C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000000071304 168080729 /nfs/dbraw/zinc/08/07/29/168080729.db2.gz DVYMLDZJLCAVJJ-UHFFFAOYSA-N 0 0 235.670 2.550 50 0 BFAARN Cc1cc(NC(=O)N2CCC(C)=C(C)C2)no1 ZINC000279994654 168081283 /nfs/dbraw/zinc/08/12/83/168081283.db2.gz MBECLNNYDZYPCK-UHFFFAOYSA-N 0 0 235.287 2.557 50 0 BFAARN CC1=CC(C)(C)N2C(=O)C(=O)c3cc(F)cc1c32 ZINC000253495793 168092516 /nfs/dbraw/zinc/09/25/16/168092516.db2.gz QYGBWGPROWPNTR-UHFFFAOYSA-N 0 0 245.253 2.551 50 0 BFAARN CC1=N/C(=C\c2ccc(Cl)cc2)C(=O)O1 ZINC000005191905 168132733 /nfs/dbraw/zinc/13/27/33/168132733.db2.gz NWYIDAQFRYQRFT-POHAHGRESA-N 0 0 221.643 2.656 50 0 BFAARN CC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000000302153 168175754 /nfs/dbraw/zinc/17/57/54/168175754.db2.gz BGUJLCDFPQKVRV-UHFFFAOYSA-N 0 0 221.275 2.698 50 0 BFAARN C[C@H](Oc1ccccc1)C(=O)N1CCC(C)CC1 ZINC000000030912 168176733 /nfs/dbraw/zinc/17/67/33/168176733.db2.gz OUHBIQYFCGFHOJ-ZDUSSCGKSA-N 0 0 247.338 2.712 50 0 BFAARN CC1CCN([C@H]2OC(=O)c3ccccc32)CC1 ZINC000027662429 168187387 /nfs/dbraw/zinc/18/73/87/168187387.db2.gz QNDAZYBZKBUSHE-ZDUSSCGKSA-N 0 0 231.295 2.588 50 0 BFAARN CCC(=O)Cc1ccc(Br)cc1 ZINC000037463966 168209844 /nfs/dbraw/zinc/20/98/44/168209844.db2.gz VEZPNCFTZIKUEO-UHFFFAOYSA-N 0 0 227.101 2.971 50 0 BFAARN CCC(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000095440251 168211467 /nfs/dbraw/zinc/21/14/67/168211467.db2.gz NYXWIKXJFKMQEZ-UHFFFAOYSA-N 0 0 235.327 2.842 50 0 BFAARN CCC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000170611381 168214374 /nfs/dbraw/zinc/21/43/74/168214374.db2.gz FBJSVWSCUHRWCL-UHFFFAOYSA-N 0 0 239.265 2.866 50 0 BFAARN CCC(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C ZINC000000391236 168215290 /nfs/dbraw/zinc/21/52/90/168215290.db2.gz ZMRFZBKROHCLIL-CABZTGNLSA-N 0 0 233.267 2.505 50 0 BFAARN CCC(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000064555446 168217990 /nfs/dbraw/zinc/21/79/90/168217990.db2.gz YGHHFASLYYKKPO-LLVKDONJSA-N 0 0 236.315 2.872 50 0 BFAARN CCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000040459873 168219005 /nfs/dbraw/zinc/21/90/05/168219005.db2.gz XEQQGHDKJMVJLT-SECBINFHSA-N 0 0 209.314 2.822 50 0 BFAARN CCC(=O)N1CC[C@H](CC2CCCC2)C1 ZINC000225448134 168224067 /nfs/dbraw/zinc/22/40/67/168224067.db2.gz PKDAKMZTYGAQOA-GFCCVEGCSA-N 0 0 209.333 2.825 50 0 BFAARN CCC(=O)N1[C@@H](Cc2ccccc2)COC1(C)C ZINC000000386634 168227637 /nfs/dbraw/zinc/22/76/37/168227637.db2.gz IRYHYHQTUGHKKG-ZDUSSCGKSA-N 0 0 247.338 2.603 50 0 BFAARN CCC(=O)NCCSCc1ccccc1F ZINC000044869163 168231003 /nfs/dbraw/zinc/23/10/03/168231003.db2.gz ZCHPOFRIPYKUJZ-UHFFFAOYSA-N 0 0 241.331 2.585 50 0 BFAARN CCC(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000012853318 168237489 /nfs/dbraw/zinc/23/74/89/168237489.db2.gz PGIIZWLKWYZXRB-SNVBAGLBSA-N 0 0 239.315 2.889 50 0 BFAARN CCC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000006741771 168238788 /nfs/dbraw/zinc/23/87/88/168238788.db2.gz XXVUUDZEPFFANB-SNVBAGLBSA-N 0 0 205.301 2.836 50 0 BFAARN CCC(=O)N[C@H](C)c1nc2ccccc2n1CC ZINC000000200727 168239208 /nfs/dbraw/zinc/23/92/08/168239208.db2.gz XXRBPLRBMARQAS-SNVBAGLBSA-N 0 0 245.326 2.643 50 0 BFAARN CCC(=O)Nc1cc(C)n(Cc2ccccc2)n1 ZINC000064555442 168242773 /nfs/dbraw/zinc/24/27/73/168242773.db2.gz WAZDJFYWFDCSGI-UHFFFAOYSA-N 0 0 243.310 2.588 50 0 BFAARN CCC(=O)Nc1cc(C)nc2c(OC)cccc12 ZINC000016625549 168243392 /nfs/dbraw/zinc/24/33/92/168243392.db2.gz CINVRNMCUPEIDU-UHFFFAOYSA-N 0 0 244.294 2.900 50 0 BFAARN CCC(=O)Nc1ccc(C)c2ncccc12 ZINC000041157053 168244262 /nfs/dbraw/zinc/24/42/62/168244262.db2.gz MWWBUMMJACBWEK-UHFFFAOYSA-N 0 0 214.268 2.892 50 0 BFAARN CCC(=O)Nc1ccc2ncsc2c1 ZINC000008804146 168245689 /nfs/dbraw/zinc/24/56/89/168245689.db2.gz UUYJSOYTHDTYEZ-UHFFFAOYSA-N 0 0 206.270 2.645 50 0 BFAARN CCC(=O)Nc1ccccc1OC(F)F ZINC000009934686 168247414 /nfs/dbraw/zinc/24/74/14/168247414.db2.gz HXCODFIJWHXFTC-UHFFFAOYSA-N 0 0 215.199 2.637 50 0 BFAARN CCC(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000021149728 168248320 /nfs/dbraw/zinc/24/83/20/168248320.db2.gz KGVIWXNNQJUCQK-SSDOTTSWSA-N 0 0 224.329 2.616 50 0 BFAARN CCC(=O)Nc1nc(-c2ccncc2)cs1 ZINC000006309331 168248454 /nfs/dbraw/zinc/24/84/54/168248454.db2.gz TWRUMGTYLIUUKV-UHFFFAOYSA-N 0 0 233.296 2.554 50 0 BFAARN CCC(=O)[C@H](C)Sc1nnc(SC)s1 ZINC000095952991 168253361 /nfs/dbraw/zinc/25/33/61/168253361.db2.gz JRGRZZYWIFMBHC-YFKPBYRVSA-N 0 0 248.398 2.720 50 0 BFAARN CCC(=O)c1c(C)onc1-c1ccncc1 ZINC000065336744 168253836 /nfs/dbraw/zinc/25/38/36/168253836.db2.gz PDCYHJRUBHASIH-UHFFFAOYSA-N 0 0 216.240 2.638 50 0 BFAARN CCC(=O)c1ccc(OC(F)F)cc1 ZINC000003251804 168255770 /nfs/dbraw/zinc/25/57/70/168255770.db2.gz NKRQQCHFLGGBJT-UHFFFAOYSA-N 0 0 200.184 2.881 50 0 BFAARN CCC(C)(C)C(=O)NCc1ccccc1 ZINC000000030704 168266387 /nfs/dbraw/zinc/26/63/87/168266387.db2.gz YMGUJVAWXVMXMF-UHFFFAOYSA-N 0 0 205.301 2.739 50 0 BFAARN CCC(C)(C)C(=O)Nc1ccccc1CO ZINC000019897741 168268760 /nfs/dbraw/zinc/26/87/60/168268760.db2.gz DGHUBRNUARLYPT-UHFFFAOYSA-N 0 0 221.300 2.554 50 0 BFAARN CCC(C)(C)NC(=O)COc1ccc(C)c(C)c1 ZINC000001002851 168291120 /nfs/dbraw/zinc/29/11/20/168291120.db2.gz VHNMUOMKANTLEM-UHFFFAOYSA-N 0 0 249.354 2.987 50 0 BFAARN CCC(C)(C)NC(=O)NC(C)(C)CC ZINC000039404091 168291718 /nfs/dbraw/zinc/29/17/18/168291718.db2.gz LTMDDDXVPZMEFE-UHFFFAOYSA-N 0 0 200.326 2.663 50 0 BFAARN C=CC(=O)NCc1ccc(-c2ccncc2)cc1 ZINC000115290031 411457794 /nfs/dbraw/zinc/45/77/94/411457794.db2.gz LAJAHQKDYXGTOP-UHFFFAOYSA-N 0 0 238.290 2.551 50 0 BFAARN COc1nsnc1-c1cccc(Cl)c1 ZINC000075273525 411449575 /nfs/dbraw/zinc/44/95/75/411449575.db2.gz ZTHLYGVALUYKNQ-UHFFFAOYSA-N 0 0 226.688 2.867 50 0 BFAARN Cc1cccc(C)c1NC(=O)N1CC=CC1 ZINC000107531546 411478366 /nfs/dbraw/zinc/47/83/66/411478366.db2.gz FNIVQIWTMUXEHH-UHFFFAOYSA-N 0 0 216.284 2.707 50 0 BFAARN CC(C)C[C@H](C)N(C)C(=O)NCc1ccco1 ZINC000044917376 411483998 /nfs/dbraw/zinc/48/39/98/411483998.db2.gz QNDIVQWQRLFNMR-NSHDSACASA-N 0 0 238.331 2.856 50 0 BFAARN CCNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000041510347 170044292 /nfs/dbraw/zinc/04/42/92/170044292.db2.gz ZSVNZVBBJPVXEJ-UHFFFAOYSA-N 0 0 223.703 2.508 50 0 BFAARN CCNC(=O)CCCOc1ccc(Cl)cc1 ZINC000014398712 170048794 /nfs/dbraw/zinc/04/87/94/170048794.db2.gz IUEKOBUJSIQFGN-UHFFFAOYSA-N 0 0 241.718 2.635 50 0 BFAARN CCNC(=O)CCCc1c[nH]c2ccccc12 ZINC000035127749 170048849 /nfs/dbraw/zinc/04/88/49/170048849.db2.gz FJOJHHSTGDCJMS-UHFFFAOYSA-N 0 0 230.311 2.627 50 0 BFAARN CCNC(=O)CNc1cc(Cl)ccc1Cl ZINC000010024203 170066569 /nfs/dbraw/zinc/06/65/69/170066569.db2.gz NQPKZTWCQUAQKZ-UHFFFAOYSA-N 0 0 247.125 2.541 50 0 BFAARN CCNC(=O)Cc1coc2c1ccc(C)c2C ZINC000009512048 170070687 /nfs/dbraw/zinc/07/06/87/170070687.db2.gz DNMXAVUZWQKKKK-UHFFFAOYSA-N 0 0 231.295 2.728 50 0 BFAARN CCNC(=O)N(C)[C@@H](CC)Cc1ccccc1 ZINC000080580279 170072090 /nfs/dbraw/zinc/07/20/90/170072090.db2.gz FIIKGDPDZMGWGQ-ZDUSSCGKSA-N 0 0 234.343 2.669 50 0 BFAARN CCNC(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000048650990 170073551 /nfs/dbraw/zinc/07/35/51/170073551.db2.gz SSAHTJLWFCAMKJ-CYBMUJFWSA-N 0 0 232.327 2.861 50 0 BFAARN CCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000098014294 170074260 /nfs/dbraw/zinc/07/42/60/170074260.db2.gz SNMYLAKOJYWUJB-MNOVXSKESA-N 0 0 236.315 2.782 50 0 BFAARN CCNC(=O)Nc1ccc(Cl)cc1C ZINC000000395240 170084005 /nfs/dbraw/zinc/08/40/05/170084005.db2.gz RMHQWFFRSBMVKF-UHFFFAOYSA-N 0 0 212.680 2.790 50 0 BFAARN CCNC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000020493553 170096539 /nfs/dbraw/zinc/09/65/39/170096539.db2.gz NQTJPAFYIVBPBI-NSHDSACASA-N 0 0 235.327 2.713 50 0 BFAARN CCNC(=O)c1cc(C)nc2ccc(CC)cc21 ZINC000064553283 170100069 /nfs/dbraw/zinc/10/00/69/170100069.db2.gz CYUALZIUNXBKPI-UHFFFAOYSA-N 0 0 242.322 2.855 50 0 BFAARN CCNC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000069296583 170100767 /nfs/dbraw/zinc/10/07/67/170100767.db2.gz ATLMBSQEQQLIGG-MRVPVSSYSA-N 0 0 223.341 2.623 50 0 BFAARN CCNC(=O)c1ccc(-c2csc(C)n2)cc1 ZINC000064677374 170101094 /nfs/dbraw/zinc/10/10/94/170101094.db2.gz AEQUXVILWRJAGI-UHFFFAOYSA-N 0 0 246.335 2.868 50 0 BFAARN CCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000029891 170102081 /nfs/dbraw/zinc/10/20/81/170102081.db2.gz AAWBPQBSUNBNCO-UHFFFAOYSA-N 0 0 218.083 2.743 50 0 BFAARN CCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000003415569 170102604 /nfs/dbraw/zinc/10/26/04/170102604.db2.gz VWCKWSZCROUNAF-UHFFFAOYSA-N 0 0 216.284 2.534 50 0 BFAARN CCNC(=O)c1csc(-c2ccccc2)n1 ZINC000009501316 170104484 /nfs/dbraw/zinc/10/44/84/170104484.db2.gz GPFNPUWUYHMFEX-UHFFFAOYSA-N 0 0 232.308 2.560 50 0 BFAARN CCNC(=S)Nc1cc(C)cc(C)c1 ZINC000007529013 170106067 /nfs/dbraw/zinc/10/60/67/170106067.db2.gz AVNCGDMKIREWHM-UHFFFAOYSA-N 0 0 208.330 2.610 50 0 BFAARN CCNC(=S)Nc1ccc(C)cc1Cl ZINC000005560710 170106589 /nfs/dbraw/zinc/10/65/89/170106589.db2.gz CBBWEONLSCYIQD-UHFFFAOYSA-N 0 0 228.748 2.955 50 0 BFAARN CC[NH2+][C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000037425047 170137668 /nfs/dbraw/zinc/13/76/68/170137668.db2.gz DLIDNAYYJTXVSF-SECBINFHSA-N 0 0 248.109 2.729 50 0 BFAARN CCNc1nc(CC)nc2sc(C)cc21 ZINC000041090638 170176076 /nfs/dbraw/zinc/17/60/76/170176076.db2.gz MWKGIWTVXSECCM-UHFFFAOYSA-N 0 0 221.329 2.994 50 0 BFAARN CCNc1ncnc2sc(C)c(C)c21 ZINC000000347160 170178029 /nfs/dbraw/zinc/17/80/29/170178029.db2.gz RELNOFCOIOHVSU-UHFFFAOYSA-N 0 0 207.302 2.740 50 0 BFAARN CCO/C=C1/N=C(/C=C/c2ccccc2)OC1=O ZINC000033953937 170179666 /nfs/dbraw/zinc/17/96/66/170179666.db2.gz AHMVMWDNUHCKQY-CDKJVOIVSA-N 0 0 243.262 2.533 50 0 in-vitro BFAARN CCOC(=O)C=C(C)Nc1ccccc1 ZINC000012413144 170182527 /nfs/dbraw/zinc/18/25/27/170182527.db2.gz NLGDIRPNWGZGLI-KTKRTIGZSA-N 0 0 205.257 2.565 50 0 BFAARN CCOC(=O)/C(C)=C\c1ccc(OC)c(F)c1 ZINC000095629404 170182681 /nfs/dbraw/zinc/18/26/81/170182681.db2.gz JYOHRVHGCJTWSS-CLFYSBASSA-N 0 0 238.258 2.801 50 0 BFAARN CCOC(=O)C(=O)c1ccc(F)c2ccccc12 ZINC000043209626 170184906 /nfs/dbraw/zinc/18/49/06/170184906.db2.gz PSBJHMISSXOZTN-UHFFFAOYSA-N 0 0 246.237 2.725 50 0 BFAARN CCOC(=O)C(C)(C)c1ccc(OC)cc1 ZINC000001760584 170188378 /nfs/dbraw/zinc/18/83/78/170188378.db2.gz ZISVYKNZALCDGC-UHFFFAOYSA-N 0 0 222.284 2.536 50 0 BFAARN CCOC(=O)C(F)(F)c1cccc(Cl)c1 ZINC000031829508 170189275 /nfs/dbraw/zinc/18/92/75/170189275.db2.gz JEZFHRLBCLCNEP-UHFFFAOYSA-N 0 0 234.629 2.995 50 0 BFAARN CCOC(=O)CC1=NC(C)(C)Cc2ccccc21 ZINC000100295158 170197821 /nfs/dbraw/zinc/19/78/21/170197821.db2.gz MUUCLQTWLNACQF-UHFFFAOYSA-N 0 0 245.322 2.764 50 0 BFAARN CCOC(=O)CCCC(=O)c1ccsc1 ZINC000043210318 170198693 /nfs/dbraw/zinc/19/86/93/170198693.db2.gz CWNISAMAQXESEE-UHFFFAOYSA-N 0 0 226.297 2.664 50 0 BFAARN CCOC(=O)CCCSc1nc(C)cs1 ZINC000058930091 170202695 /nfs/dbraw/zinc/20/26/95/170202695.db2.gz PKPTVGFOSUHZTA-UHFFFAOYSA-N 0 0 245.369 2.887 50 0 BFAARN CCOC(=O)COc1ccc(Cl)cc1Cl ZINC000002034891 170228827 /nfs/dbraw/zinc/22/88/27/170228827.db2.gz JSLBZIVMVVHMDJ-UHFFFAOYSA-N 0 0 249.093 2.935 50 0 BFAARN CCOC(=O)CSc1ccc(C)cc1 ZINC000001399803 170229858 /nfs/dbraw/zinc/22/98/58/170229858.db2.gz RJBCLDCLOCANCG-UHFFFAOYSA-N 0 0 210.298 2.650 50 0 BFAARN CCOC(=O)CSc1ccc(C)c(C)c1 ZINC000020302570 170229980 /nfs/dbraw/zinc/22/99/80/170229980.db2.gz GUXOUHGNEHROIF-UHFFFAOYSA-N 0 0 224.325 2.959 50 0 BFAARN CCOC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000002243278 170235783 /nfs/dbraw/zinc/23/57/83/170235783.db2.gz JDSJLOLGIHAOOZ-UHFFFAOYSA-N 0 0 232.201 2.811 50 0 BFAARN CCOC(=O)N[C@@H]1CCCc2ccccc21 ZINC000005672638 170243004 /nfs/dbraw/zinc/24/30/04/170243004.db2.gz RUQOSAQQCDVMKV-GFCCVEGCSA-N 0 0 219.284 2.810 50 0 BFAARN CCOC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000002549397 170248007 /nfs/dbraw/zinc/24/80/07/170248007.db2.gz XLOKDICDLAYRMD-LLVKDONJSA-N 0 0 222.284 2.634 50 0 BFAARN CCOC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000002549389 170248188 /nfs/dbraw/zinc/24/81/88/170248188.db2.gz IOCZOWQBIFFHPM-SECBINFHSA-N 0 0 242.702 2.979 50 0 BFAARN CCOC(=O)[C@@H](CC)Sc1ccncc1 ZINC000087110008 170250771 /nfs/dbraw/zinc/25/07/71/170250771.db2.gz CJFBHMCCFPDPGD-SNVBAGLBSA-N 0 0 225.313 2.515 50 0 BFAARN CCOC(=O)[C@@H]1[C@@H]2C=C3CCc4cccc(c43)[C@H]12 ZINC000004532623 170260096 /nfs/dbraw/zinc/26/00/96/170260096.db2.gz LWENPOAPZKOYQS-VHDGCEQUSA-N 0 0 240.302 2.923 50 0 BFAARN CCOC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000004294272 170269261 /nfs/dbraw/zinc/26/92/61/170269261.db2.gz IOCZOWQBIFFHPM-VIFPVBQESA-N 0 0 242.702 2.979 50 0 BFAARN CCOC(=O)c1[nH]c2cc(OC)ccc2c1C ZINC000096345916 170286353 /nfs/dbraw/zinc/28/63/53/170286353.db2.gz GXJBZLXGCFZBAZ-UHFFFAOYSA-N 0 0 233.267 2.662 50 0 BFAARN CCOC(=O)c1[nH]c(C)c(C(=O)C(C)C)c1C ZINC000000051503 170286770 /nfs/dbraw/zinc/28/67/70/170286770.db2.gz GZDDIMUUXLJHOS-UHFFFAOYSA-N 0 0 237.299 2.647 50 0 BFAARN CCOC(=O)c1c(C)[nH]c2cccc(F)c21 ZINC000002512987 170287399 /nfs/dbraw/zinc/28/73/99/170287399.db2.gz FFLAUZJZZHRPQM-UHFFFAOYSA-N 0 0 221.231 2.792 50 0 BFAARN CCOC(=O)c1c(C)n(CC)c2ccc(O)cc21 ZINC000000054901 170288192 /nfs/dbraw/zinc/28/81/92/170288192.db2.gz FXMYTLXTYCIQED-UHFFFAOYSA-N 0 0 247.294 2.852 50 0 BFAARN CCOC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002168348 170288197 /nfs/dbraw/zinc/28/81/97/170288197.db2.gz DFUDMSIRGGTHGI-UHFFFAOYSA-N 0 0 240.127 2.559 50 0 BFAARN CCOC(=O)c1c(Cl)ccnc1Cl ZINC000040448937 170288637 /nfs/dbraw/zinc/28/86/37/170288637.db2.gz KMFWUAUMIFXMBF-UHFFFAOYSA-N 0 0 220.055 2.565 50 0 BFAARN CCOC(=O)c1cc2c(cccc2Cl)[nH]1 ZINC000026894257 170293100 /nfs/dbraw/zinc/29/31/00/170293100.db2.gz XWNVSPGTJSGNPU-UHFFFAOYSA-N 0 0 223.659 2.998 50 0 in-vitro BFAARN CCOC(=O)c1cc2c(ncnc2Cl)s1 ZINC000095080508 170293348 /nfs/dbraw/zinc/29/33/48/170293348.db2.gz IKUNLTCFOLEPBG-UHFFFAOYSA-N 0 0 242.687 2.521 50 0 BFAARN CCOC(=O)c1cc2c(ccc(F)c2F)[nH]1 ZINC000043220576 170293352 /nfs/dbraw/zinc/29/33/52/170293352.db2.gz MKPIGDPELRNWBB-UHFFFAOYSA-N 0 0 225.194 2.623 50 0 BFAARN CCOC(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000002534083 170293387 /nfs/dbraw/zinc/29/33/87/170293387.db2.gz MMFBMAHZFBCFMJ-UHFFFAOYSA-N 0 0 217.268 2.961 50 0 BFAARN CCOC(=O)c1cc2ccc(C)cc2[nH]1 ZINC000026894263 170293912 /nfs/dbraw/zinc/29/39/12/170293912.db2.gz IRFTXLHJKQYOJB-UHFFFAOYSA-N 0 0 203.241 2.653 50 0 BFAARN CCOC(=O)c1cc2cc(C(C)=O)ccc2n1C ZINC000098063762 170294019 /nfs/dbraw/zinc/29/40/19/170294019.db2.gz DETWZXDZHQRVSQ-UHFFFAOYSA-N 0 0 245.278 2.558 50 0 BFAARN CCOC(=O)c1cc2ccc(OC)cc2o1 ZINC000015019326 170294207 /nfs/dbraw/zinc/29/42/07/170294207.db2.gz VBJGXQIHVLKHCT-UHFFFAOYSA-N 0 0 220.224 2.618 50 0 BFAARN CCOC(=O)c1ccc(-n2cccc2)cc1 ZINC000000111679 170294620 /nfs/dbraw/zinc/29/46/20/170294620.db2.gz FOELSWUYONNGSV-UHFFFAOYSA-N 0 0 215.252 2.654 50 0 BFAARN CCOC(=O)c1ccc(Br)c(F)c1 ZINC000047202648 170294898 /nfs/dbraw/zinc/29/48/98/170294898.db2.gz DDINDBNRZWUYBR-UHFFFAOYSA-N 0 0 247.063 2.765 50 0 BFAARN CCOC(=O)c1ccc(Cl)c(F)c1 ZINC000021304796 170295161 /nfs/dbraw/zinc/29/51/61/170295161.db2.gz DCYPLEKPDBBLSM-UHFFFAOYSA-N 0 0 202.612 2.656 50 0 BFAARN CCOC(=O)c1ccc(C)c(NC(=O)C(C)C)c1 ZINC000072117856 170295854 /nfs/dbraw/zinc/29/58/54/170295854.db2.gz FKKCLCJXUQMUGO-UHFFFAOYSA-N 0 0 249.310 2.766 50 0 BFAARN CCOC(=O)c1ccc(NC(=O)CC(C)C)cc1 ZINC000000362182 170296339 /nfs/dbraw/zinc/29/63/39/170296339.db2.gz URGNBLMRBCSGMU-UHFFFAOYSA-N 0 0 249.310 2.848 50 0 BFAARN CCOC(=O)c1ccc(NCC(C)C)c(N)c1 ZINC000041079807 170296526 /nfs/dbraw/zinc/29/65/26/170296526.db2.gz CFFANIUCOVUQFL-UHFFFAOYSA-N 0 0 236.315 2.513 50 0 BFAARN CCOC(=O)c1ccc2c(c1)c(C)c(C)n2C ZINC000005928374 170297874 /nfs/dbraw/zinc/29/78/74/170297874.db2.gz JZOARWXQVPGOTH-UHFFFAOYSA-N 0 0 231.295 2.972 50 0 BFAARN CCOC(=O)c1ccc2c(c1)ncn2C(C)(C)C ZINC000095496134 170298042 /nfs/dbraw/zinc/29/80/42/170298042.db2.gz IIZOIHTVWWHOFG-UHFFFAOYSA-N 0 0 246.310 2.968 50 0 BFAARN CCOC(=O)c1cccc(F)c1Br ZINC000047202644 170298518 /nfs/dbraw/zinc/29/85/18/170298518.db2.gz JCKZDYSLKOUKTG-UHFFFAOYSA-N 0 0 247.063 2.765 50 0 BFAARN CCOC(=O)c1ccc2ccccc2c1O ZINC000014492383 170298546 /nfs/dbraw/zinc/29/85/46/170298546.db2.gz NYOUMBFXFQZOLM-UHFFFAOYSA-N 0 0 216.236 2.722 50 0 BFAARN CCOC(=O)c1cccc(NC(=O)C=C(C)C)c1 ZINC000023912534 170298593 /nfs/dbraw/zinc/29/85/93/170298593.db2.gz ZIRMJKBAVJUUOA-UHFFFAOYSA-N 0 0 247.294 2.768 50 0 BFAARN CCOC(=O)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000008936684 170298849 /nfs/dbraw/zinc/29/88/49/170298849.db2.gz XHGANQDHXJHVAV-UHFFFAOYSA-N 0 0 249.310 2.848 50 0 BFAARN CCOC(=O)c1ccccc1-c1cnco1 ZINC000090470817 170299364 /nfs/dbraw/zinc/29/93/64/170299364.db2.gz DDAYJSSVCMBMFB-UHFFFAOYSA-N 0 0 217.224 2.518 50 0 BFAARN CCOC(=O)c1ccccc1NC(=O)[C@@H](C)CC ZINC000000484539 170300199 /nfs/dbraw/zinc/30/01/99/170300199.db2.gz PSCNFAKVONCQAN-JTQLQIEISA-N 0 0 249.310 2.848 50 0 BFAARN CCOC(=O)c1ccccc1NC(=O)[C@H](C)CC ZINC000000484538 170300323 /nfs/dbraw/zinc/30/03/23/170300323.db2.gz PSCNFAKVONCQAN-SNVBAGLBSA-N 0 0 249.310 2.848 50 0 BFAARN CCOC(=O)c1nc(-c2ccccc2)cs1 ZINC000035633081 170305920 /nfs/dbraw/zinc/30/59/20/170305920.db2.gz GWFISTWSEPVSDU-UHFFFAOYSA-N 0 0 233.292 2.987 50 0 BFAARN CCOC(=O)c1nc(Cl)sc1Cl ZINC000031772041 170306838 /nfs/dbraw/zinc/30/68/38/170306838.db2.gz RVQIIQNBWNEWKU-UHFFFAOYSA-N 0 0 226.084 2.627 50 0 BFAARN CCOC(CNc1ccc(C)cc1)OCC ZINC000000163349 170315638 /nfs/dbraw/zinc/31/56/38/170315638.db2.gz UUWJVLGSKSIUKN-UHFFFAOYSA-N 0 0 223.316 2.806 50 0 BFAARN CCOC(COCc1ccccc1)OCC ZINC000000396182 170315751 /nfs/dbraw/zinc/31/57/51/170315751.db2.gz VTYTZCJKJNWMGA-UHFFFAOYSA-N 0 0 224.300 2.602 50 0 BFAARN CCOC(Cc1ccccc1F)OCC ZINC000043502995 170316136 /nfs/dbraw/zinc/31/61/36/170316136.db2.gz FAJUYWODIOTJMT-UHFFFAOYSA-N 0 0 212.264 2.767 50 0 BFAARN CCOCC(=O)N1CCc2ccccc2[C@H]1CC ZINC000079310001 170342747 /nfs/dbraw/zinc/34/27/47/170342747.db2.gz UNTVSCUGVFSBNY-CQSZACIVSA-N 0 0 247.338 2.559 50 0 BFAARN CCOCC(=O)N[C@@H](C)c1cc(C)ccc1C ZINC000067804559 170345661 /nfs/dbraw/zinc/34/56/61/170345661.db2.gz OMAFAOOSTBIZPM-LBPRGKRZSA-N 0 0 235.327 2.517 50 0 BFAARN CCOCC(=O)Nc1c(CC)cccc1CC ZINC000004671116 170348044 /nfs/dbraw/zinc/34/80/44/170348044.db2.gz OSWLOGSHTXTPPC-UHFFFAOYSA-N 0 0 235.327 2.786 50 0 BFAARN CCOCCCNC(=O)c1cc(C)sc1C ZINC000036391846 170378996 /nfs/dbraw/zinc/37/89/96/170378996.db2.gz IWHAWCLGJNYOEB-UHFFFAOYSA-N 0 0 241.356 2.521 50 0 BFAARN CCONC(=O)c1csc2ccccc12 ZINC000012906863 170469559 /nfs/dbraw/zinc/46/95/59/170469559.db2.gz AXLSCSLDHUGIDB-UHFFFAOYSA-N 0 0 221.281 2.583 50 0 BFAARN CCOc1ccc(Nc2csc(=O)[nH]2)cc1 ZINC000005686495 170551794 /nfs/dbraw/zinc/55/17/94/170551794.db2.gz ROBBGIYTVCIZKX-UHFFFAOYSA-N 0 0 236.296 2.763 50 0 BFAARN CCOc1ccc2c(c1)[nH]c(=S)n2C ZINC000005686513 170569256 /nfs/dbraw/zinc/56/92/56/170569256.db2.gz SZEWQQWMTCUMEJ-UHFFFAOYSA-N 0 0 208.286 2.635 50 0 BFAARN CCOc1cccc(-c2ccc(C=O)cn2)c1 ZINC000002527571 170571658 /nfs/dbraw/zinc/57/16/58/170571658.db2.gz WUBKGEKCDBIVSB-UHFFFAOYSA-N 0 0 227.263 2.960 50 0 BFAARN CCSc1n[nH]c(-c2ccccc2F)n1 ZINC000008342264 170657007 /nfs/dbraw/zinc/65/70/07/170657007.db2.gz UQEZGMQONQRYMI-UHFFFAOYSA-N 0 0 223.276 2.723 50 0 BFAARN CCSc1nnc(NC(=O)C(C)(C)C)s1 ZINC000000441448 170658001 /nfs/dbraw/zinc/65/80/01/170658001.db2.gz MGLUUXOWASBUFY-UHFFFAOYSA-N 0 0 245.373 2.635 50 0 BFAARN CCSc1nnc2n(CC)c3ccccc3n12 ZINC000001079896 170658795 /nfs/dbraw/zinc/65/87/95/170658795.db2.gz MHAVDKYGKICZGG-UHFFFAOYSA-N 0 0 246.339 2.816 50 0 BFAARN CC[C@@H](NCc1ncc(C)o1)c1c(C)noc1C ZINC000097111197 170905865 /nfs/dbraw/zinc/90/58/65/170905865.db2.gz HLTZUDQDEFHBJE-LLVKDONJSA-N 0 0 249.314 2.829 50 0 BFAARN CC[C@@H](Nc1ccncn1)c1ncccc1C ZINC000091849170 170917169 /nfs/dbraw/zinc/91/71/69/170917169.db2.gz CBUPJKGKKFVSHO-LLVKDONJSA-N 0 0 228.299 2.743 50 0 BFAARN CC[C@@H](O)c1ccc(-c2cc[nH]n2)cc1 ZINC000032580992 170938029 /nfs/dbraw/zinc/93/80/29/170938029.db2.gz DUKOJRPFWVFUPQ-GFCCVEGCSA-N 0 0 202.257 2.520 50 0 BFAARN CC[C@@H]1CSC(NCc2cccs2)=[NH+]1 ZINC000013148013 171113207 /nfs/dbraw/zinc/11/32/07/171113207.db2.gz HDKLAJUVWNZIEK-MRVPVSSYSA-N 0 0 226.370 2.719 50 0 BFAARN CC[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000032753732 171255554 /nfs/dbraw/zinc/25/55/54/171255554.db2.gz NSPMDWSEAOFECW-VIFPVBQESA-N 0 0 248.326 2.938 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000012737365 171255875 /nfs/dbraw/zinc/25/58/75/171255875.db2.gz RAGSUDQNGGMNNM-VIFPVBQESA-N 0 0 237.299 2.688 50 0 BFAARN CC[C@@H](C)N(C(=O)[C@@H]1CCO[C@@H]1C)[C@@H](C)CC ZINC000097148317 171301379 /nfs/dbraw/zinc/30/13/79/171301379.db2.gz ZKNSKAIPTUAXLN-YVECIDJPSA-N 0 0 241.375 2.837 50 0 BFAARN CC[C@H](C)NC(=O)NCc1ccccc1Cl ZINC000000137452 171330174 /nfs/dbraw/zinc/33/01/74/171330174.db2.gz MMJUJRNDBHUHAI-VIFPVBQESA-N 0 0 240.734 2.938 50 0 BFAARN CC[C@H](C)NC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000013746407 171330330 /nfs/dbraw/zinc/33/03/30/171330330.db2.gz QXEBSCYDVKOQAI-VHSXEESVSA-N 0 0 238.306 2.984 50 0 BFAARN CC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1C ZINC000006603688 171335287 /nfs/dbraw/zinc/33/52/87/171335287.db2.gz QWDQTEBIJCAEFC-RYUDHWBXSA-N 0 0 235.327 2.677 50 0 BFAARN CC[C@H](C)NC(=O)[C@H](C)c1ccccc1 ZINC000096319169 171335695 /nfs/dbraw/zinc/33/56/95/171335695.db2.gz FVOVRIBKKZMJNZ-WDEREUQCSA-N 0 0 205.301 2.705 50 0 BFAARN CC[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC000000126190 171337009 /nfs/dbraw/zinc/33/70/09/171337009.db2.gz OLOWHVKHONPEBQ-QMMMGPOBSA-N 0 0 211.692 2.868 50 0 BFAARN CC[C@H](C)NC(=O)c1ccc2ccccc2n1 ZINC000007003833 171337069 /nfs/dbraw/zinc/33/70/69/171337069.db2.gz SWNCREUURWDINS-JTQLQIEISA-N 0 0 228.295 2.763 50 0 BFAARN CC[C@H](C)NC(=O)c1ccccc1Cl ZINC000000126145 171338606 /nfs/dbraw/zinc/33/86/06/171338606.db2.gz QGHRLJWPQVGPEP-QMMMGPOBSA-N 0 0 211.692 2.868 50 0 BFAARN CC[C@H](C)NC(=O)c1coc(Br)c1 ZINC000012906162 171338656 /nfs/dbraw/zinc/33/86/56/171338656.db2.gz XXTRBRCFVQAEHW-LURJTMIESA-N 0 0 246.104 2.570 50 0 BFAARN CC[C@H](C)Nc1ncnc2ccccc21 ZINC000000132653 171350412 /nfs/dbraw/zinc/35/04/12/171350412.db2.gz DFOKBVJVIWIVLK-VIFPVBQESA-N 0 0 201.273 2.840 50 0 BFAARN CC[C@H](C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000000394448 171382694 /nfs/dbraw/zinc/38/26/94/171382694.db2.gz NLMQKWIDHNGIQC-AAEUAGOBSA-N 0 0 219.328 2.905 50 0 BFAARN CC[C@H](CC[C@H](C)O)C[C@H]1CCCO1 ZINC000100704259 171429956 /nfs/dbraw/zinc/42/99/56/171429956.db2.gz WRDHXNUNGYABFV-QJPTWQEYSA-N 0 0 200.322 2.743 50 0 BFAARN CC[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(=O)[O-] ZINC000191424885 171539191 /nfs/dbraw/zinc/53/91/91/171539191.db2.gz NBTYLQBRCHFRCX-KBPBESRZSA-N 0 0 247.338 2.981 50 0 BFAARN CC[C@H](SCC(=O)N(C)C)c1ccccc1 ZINC000095411516 171594845 /nfs/dbraw/zinc/59/48/45/171594845.db2.gz LZVIBCDSUFZTRP-LBPRGKRZSA-N 0 0 237.368 2.959 50 0 BFAARN CC[C@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 ZINC000040505759 171605139 /nfs/dbraw/zinc/60/51/39/171605139.db2.gz KFNWMMBKCVDUQE-STQMWFEESA-N 0 0 239.359 2.737 50 0 BFAARN CCc1cc(-n2ccc(C)n2)ccc1NC(C)=O ZINC000065404037 171747989 /nfs/dbraw/zinc/74/79/89/171747989.db2.gz RZRBDLABTUZMSO-UHFFFAOYSA-N 0 0 243.310 2.702 50 0 BFAARN CCc1cc2c(cc(C(=O)N(C)C)n2C)s1 ZINC000064551636 171775972 /nfs/dbraw/zinc/77/59/72/171775972.db2.gz YRVOOBYFNNLNBJ-UHFFFAOYSA-N 0 0 236.340 2.504 50 0 BFAARN CCc1cc2c(s1)CCCCC(=O)N2 ZINC000005719356 171775994 /nfs/dbraw/zinc/77/59/94/171775994.db2.gz DCNBRBDFZVGERF-UHFFFAOYSA-N 0 0 209.314 2.975 50 0 BFAARN CCc1ccc(C(=O)N(C)Cc2ccco2)o1 ZINC000040082808 171782991 /nfs/dbraw/zinc/78/29/91/171782991.db2.gz STTAYJMYASPJKP-UHFFFAOYSA-N 0 0 233.267 2.707 50 0 BFAARN CCc1ccc(C(=O)NCC(F)(F)F)s1 ZINC000052949151 171786110 /nfs/dbraw/zinc/78/61/10/171786110.db2.gz XQJJOQMONCHXCA-UHFFFAOYSA-N 0 0 237.246 2.603 50 0 BFAARN CCc1ccc(CNC(=O)c2ccco2)s1 ZINC000040108986 171804272 /nfs/dbraw/zinc/80/42/72/171804272.db2.gz RHYGSQKGPBTXQA-UHFFFAOYSA-N 0 0 235.308 2.834 50 0 BFAARN CCc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000000438017 171817621 /nfs/dbraw/zinc/81/76/21/171817621.db2.gz VEYAGSUQCDESMW-UHFFFAOYSA-N 0 0 217.190 2.750 50 0 BFAARN CCc1ccc([C@@H](O)c2nccn2CC)cc1 ZINC000009421618 171836037 /nfs/dbraw/zinc/83/60/37/171836037.db2.gz MNJHWZRIUQFARN-CYBMUJFWSA-N 0 0 230.311 2.547 50 0 BFAARN CCc1ccccc1NC(=O)Nc1cnccn1 ZINC000006741403 171887062 /nfs/dbraw/zinc/88/70/62/171887062.db2.gz WANGWJXDHKVCRI-UHFFFAOYSA-N 0 0 242.282 2.683 50 0 BFAARN CCc1nc(CNc2ccc(F)c(F)c2)no1 ZINC000095412862 171990268 /nfs/dbraw/zinc/99/02/68/171990268.db2.gz LZXOUBWMWYWYKE-UHFFFAOYSA-N 0 0 239.225 2.522 50 0 BFAARN CCc1nc2sc(C(C)=O)c(N)c2cc1C ZINC000036358480 172015404 /nfs/dbraw/zinc/01/54/04/172015404.db2.gz XDLXCTRKEDGKGF-UHFFFAOYSA-N 0 0 234.324 2.952 50 0 BFAARN CCc1nn(C)c2cc(Br)ccc12 ZINC000034557494 172039000 /nfs/dbraw/zinc/03/90/00/172039000.db2.gz YEMQBIFFMIZONT-UHFFFAOYSA-N 0 0 239.116 2.898 50 0 BFAARN CCc1nnc(-c2cc3ccccc3[nH]2)o1 ZINC000026421446 172045842 /nfs/dbraw/zinc/04/58/42/172045842.db2.gz SQIKEZYXONLFHL-UHFFFAOYSA-N 0 0 213.240 2.780 50 0 BFAARN CCc1nnc(NCc2ccc(F)cc2)s1 ZINC000075824836 172060642 /nfs/dbraw/zinc/06/06/42/172060642.db2.gz TZEMVQWPOFKWBU-UHFFFAOYSA-N 0 0 237.303 2.852 50 0 BFAARN CCc1nnc2sc(/C=C/c3ccco3)nn12 ZINC000004487536 172068330 /nfs/dbraw/zinc/06/83/30/172068330.db2.gz ZPRZTALEHAAFID-AATRIKPKSA-N 0 0 246.295 2.512 50 0 BFAARN CCc1nnc2sc(-c3cccc(C)c3)nn12 ZINC000009205217 172068393 /nfs/dbraw/zinc/06/83/93/172068393.db2.gz BCTCBERMHOHSSM-UHFFFAOYSA-N 0 0 244.323 2.724 50 0 BFAARN CCc1nnc2sc(-c3ccc(F)cc3)nn12 ZINC000004487463 172068796 /nfs/dbraw/zinc/06/87/96/172068796.db2.gz GBRGHXPWXLDNLF-UHFFFAOYSA-N 0 0 248.286 2.554 50 0 BFAARN CCc1noc(-c2cccc(-c3ncc[nH]3)c2)n1 ZINC000020255382 172072892 /nfs/dbraw/zinc/07/28/92/172072892.db2.gz PMTQGZHWHTVSCI-UHFFFAOYSA-N 0 0 240.266 2.689 50 0 BFAARN CCc1noc(C)c1C(=O)Nc1ccccc1 ZINC000013326272 172076204 /nfs/dbraw/zinc/07/62/04/172076204.db2.gz GTWCZJJXQIGFQK-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN CCc1sc(=N)n(C)c1-c1ccc(F)cc1 ZINC000019894560 172128429 /nfs/dbraw/zinc/12/84/29/172128429.db2.gz MGGLEBIBBVFRFQ-UHFFFAOYSA-N 0 0 236.315 2.935 50 0 BFAARN CCc1sc(C(=O)Nc2cn[nH]c2)cc1C ZINC000035237384 172129432 /nfs/dbraw/zinc/12/94/32/172129432.db2.gz JWUCZAYDLCLJJM-UHFFFAOYSA-N 0 0 235.312 2.594 50 0 BFAARN CCn1c(=S)[nH]nc1-c1cccc(OC)c1 ZINC000005967889 172130288 /nfs/dbraw/zinc/13/02/88/172130288.db2.gz OZWCNURSMYNBPE-UHFFFAOYSA-N 0 0 235.312 2.636 50 0 BFAARN CCn1c(=S)[nH]nc1-c1cccc(C)c1 ZINC000000617399 172131088 /nfs/dbraw/zinc/13/10/88/172131088.db2.gz DWIGEOFJARIEDR-UHFFFAOYSA-N 0 0 219.313 2.936 50 0 BFAARN CCn1c(C)c(C(C)=O)c(C(C)=O)c1C ZINC000004744427 172135140 /nfs/dbraw/zinc/13/51/40/172135140.db2.gz RJDIPVKGYRACJU-UHFFFAOYSA-N 0 0 207.273 2.530 50 0 BFAARN CCn1c(C)nnc1COc1cc(F)ccc1C ZINC000189506712 172140497 /nfs/dbraw/zinc/14/04/97/172140497.db2.gz VKIHRNKGGFKBCZ-UHFFFAOYSA-N 0 0 249.289 2.633 50 0 BFAARN CCn1c(Cl)nnc1-c1ccccc1 ZINC000019821670 172146549 /nfs/dbraw/zinc/14/65/49/172146549.db2.gz DAAHNZXCOMYAHW-UHFFFAOYSA-N 0 0 207.664 2.618 50 0 BFAARN CCn1c(SC)nnc1-c1ccc(F)cc1 ZINC000000732279 172147253 /nfs/dbraw/zinc/14/72/53/172147253.db2.gz WCJSBZARSFCDPQ-UHFFFAOYSA-N 0 0 237.303 2.826 50 0 BFAARN CCn1cc(C(=O)C(F)(F)F)c2cccnc21 ZINC000004049902 172150762 /nfs/dbraw/zinc/15/07/62/172150762.db2.gz KOQZTNKQWSIZBX-UHFFFAOYSA-N 0 0 242.200 2.801 50 0 BFAARN CCn1cc(CNc2ccccc2O)c(C)n1 ZINC000012394868 172175901 /nfs/dbraw/zinc/17/59/01/172175901.db2.gz GSKKMIQQKPSISO-UHFFFAOYSA-N 0 0 231.299 2.529 50 0 BFAARN CCn1cc(CNc2noc3ccccc32)cn1 ZINC000225515888 172176852 /nfs/dbraw/zinc/17/68/52/172176852.db2.gz SOLNGGYGQUENOR-UHFFFAOYSA-N 0 0 242.282 2.656 50 0 BFAARN CCn1cc(NC[C@@H]2CC=CCC2)cn1 ZINC000035780149 172185059 /nfs/dbraw/zinc/18/50/59/172185059.db2.gz MWXPQARPQFKTIO-LLVKDONJSA-N 0 0 205.305 2.671 50 0 BFAARN CCn1cc(OCCc2ccc(OC)cc2)cn1 ZINC000184752025 172190813 /nfs/dbraw/zinc/19/08/13/172190813.db2.gz ZDDGDQDEPUAGGC-UHFFFAOYSA-N 0 0 246.310 2.533 50 0 BFAARN CN(C(=O)OC(C)(C)C)c1cccc(O)c1 ZINC000234243005 172324832 /nfs/dbraw/zinc/32/48/32/172324832.db2.gz AOEYIWSHRFMESO-UHFFFAOYSA-N 0 0 223.272 2.764 50 0 BFAARN CN(C(=O)c1ccc(O)cc1)C1CCCCC1 ZINC000019839348 172340187 /nfs/dbraw/zinc/34/01/87/172340187.db2.gz RKHLQEDAZGKPCW-UHFFFAOYSA-N 0 0 233.311 2.797 50 0 BFAARN CN(C(=O)c1ccc(F)cc1)C1CCCC1 ZINC000020491620 172340561 /nfs/dbraw/zinc/34/05/61/172340561.db2.gz AATRCIVISQJSCO-UHFFFAOYSA-N 0 0 221.275 2.840 50 0 BFAARN CN(C(=O)c1ccncc1)C1CCCCCC1 ZINC000032857940 172344451 /nfs/dbraw/zinc/34/44/51/172344451.db2.gz BKPUGZONNPWFHW-UHFFFAOYSA-N 0 0 232.327 2.876 50 0 BFAARN CN(C)/C=C1\Oc2ccccc2N=C1Cl ZINC000020366842 172350648 /nfs/dbraw/zinc/35/06/48/172350648.db2.gz AQUPIXZBNDANQY-YFHOEESVSA-N 0 0 222.675 2.751 50 0 BFAARN CN(C)C(=O)CCCSCc1ccccc1 ZINC000191484485 172358431 /nfs/dbraw/zinc/35/84/31/172358431.db2.gz IOUVMFVMOSJNAX-UHFFFAOYSA-N 0 0 237.368 2.788 50 0 BFAARN CN(C)C(=O)Nc1cccc(Cl)c1F ZINC000048367451 172382133 /nfs/dbraw/zinc/38/21/33/172382133.db2.gz YVIKABVLANASJC-UHFFFAOYSA-N 0 0 216.643 2.573 50 0 BFAARN CN(C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000002877796 172382780 /nfs/dbraw/zinc/38/27/80/172382780.db2.gz OMDLYJHSNZPTEW-UHFFFAOYSA-N 0 0 216.643 2.573 50 0 BFAARN CN(C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000000029890 172390176 /nfs/dbraw/zinc/39/01/76/172390176.db2.gz ZRFISAPSUXXVJI-UHFFFAOYSA-N 0 0 218.083 2.695 50 0 BFAARN CN(C)C(=S)Nc1ccccc1Cl ZINC000016216948 172393769 /nfs/dbraw/zinc/39/37/69/172393769.db2.gz DEOWLDSLAKPWIZ-UHFFFAOYSA-N 0 0 214.721 2.598 50 0 BFAARN CN(C)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000013658990 172393989 /nfs/dbraw/zinc/39/39/89/172393989.db2.gz MBWGGLMRWAGXPV-UHFFFAOYSA-N 0 0 248.273 2.964 50 0 BFAARN CN(CC1CCCCC1)C(=O)c1cccnc1 ZINC000032753011 172660034 /nfs/dbraw/zinc/66/00/34/172660034.db2.gz UGMPQHMEWCMKOE-UHFFFAOYSA-N 0 0 232.327 2.734 50 0 BFAARN CN(CCC(=O)c1ccc(F)cc1)CC(F)F ZINC000096495511 172671618 /nfs/dbraw/zinc/67/16/18/172671618.db2.gz OVCMEWBQJQGCPV-UHFFFAOYSA-N 0 0 245.244 2.595 50 0 BFAARN CN(Cc1ccco1)C(=O)[C@H]1CC=CCC1 ZINC000032820572 172890152 /nfs/dbraw/zinc/89/01/52/172890152.db2.gz KXQIAIKSVJSWGG-NSHDSACASA-N 0 0 219.284 2.594 50 0 BFAARN CN(Cc1cscn1)C(=O)OC(C)(C)C ZINC000082610353 172921219 /nfs/dbraw/zinc/92/12/19/172921219.db2.gz WCDIOOYYZFRMLF-UHFFFAOYSA-N 0 0 228.317 2.510 50 0 BFAARN CNC(=O)CS[C@H](C)c1ccc(Cl)cc1 ZINC000059932993 173279829 /nfs/dbraw/zinc/27/98/29/173279829.db2.gz GAQBESCLPRSQIS-MRVPVSSYSA-N 0 0 243.759 2.880 50 0 BFAARN CNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000041292077 173283169 /nfs/dbraw/zinc/28/31/69/173283169.db2.gz ZJQXFPZTHVXWAF-QMMMGPOBSA-N 0 0 245.244 2.945 50 0 BFAARN CNC(=O)Cc1cccc(OCCC(C)(C)C)c1 ZINC000187229776 173283681 /nfs/dbraw/zinc/28/36/81/173283681.db2.gz XSNGRBIPWOQXTK-UHFFFAOYSA-N 0 0 249.354 2.790 50 0 BFAARN CNC(=O)Oc1cc(C)c(Cl)c(C)c1 ZINC000002031477 173293312 /nfs/dbraw/zinc/29/33/12/173293312.db2.gz UVPPWESDRAKSEO-UHFFFAOYSA-N 0 0 213.664 2.675 50 0 BFAARN CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000089385857 173308089 /nfs/dbraw/zinc/30/80/89/173308089.db2.gz SMZXNEOIMHKSIC-KBPBESRZSA-N 0 0 225.291 2.689 50 0 BFAARN CNC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000010052704 173308380 /nfs/dbraw/zinc/30/83/80/173308380.db2.gz LDWSHYSQMNWOKX-ZJUUUORDSA-N 0 0 243.228 2.555 50 0 BFAARN CNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000032809291 173310212 /nfs/dbraw/zinc/31/02/12/173310212.db2.gz SGOROIOGBXTBJP-UHFFFAOYSA-N 0 0 230.311 2.825 50 0 BFAARN CNC(=S)SCCOc1ccccc1C ZINC000008829723 173316643 /nfs/dbraw/zinc/31/66/43/173316643.db2.gz IOLVWYJAIWRQKL-UHFFFAOYSA-N 0 0 241.381 2.611 50 0 BFAARN COC(=O)Cc1csc(Nc2ccccc2)n1 ZINC000001455101 173642811 /nfs/dbraw/zinc/64/28/11/173642811.db2.gz QAWYCUCGFLVWHQ-UHFFFAOYSA-N 0 0 248.307 2.602 50 0 BFAARN COC(=O)N1C=CC2=C(C=C1)CCCC2 ZINC000045069475 173651773 /nfs/dbraw/zinc/65/17/73/173651773.db2.gz SURUJGSQNRXNBS-UHFFFAOYSA-N 0 0 205.257 2.966 50 0 BFAARN COC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002147353 173664691 /nfs/dbraw/zinc/66/46/91/173664691.db2.gz NRXWBPKDKRPCTE-UHFFFAOYSA-N 0 0 219.162 2.884 50 0 BFAARN COC(=O)Nc1sc(N)nc1-c1ccccc1 ZINC000041098060 173664754 /nfs/dbraw/zinc/66/47/54/173664754.db2.gz YKQDZMJHVFTTST-UHFFFAOYSA-N 0 0 249.295 2.571 50 0 BFAARN COC(=O)[C@@H](C)Oc1c(Cl)cccc1Cl ZINC000006824112 173694092 /nfs/dbraw/zinc/69/40/92/173694092.db2.gz XYYWAIIUSAQRSP-ZCFIWIBFSA-N 0 0 249.093 2.934 50 0 BFAARN COC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000004542239 173846984 /nfs/dbraw/zinc/84/69/84/173846984.db2.gz UIINMWIYQHIFQH-UHFFFAOYSA-N 0 0 241.290 2.900 50 0 BFAARN COC(=O)c1cc2cc(F)c(Cl)cc2[nH]1 ZINC000066338804 173862952 /nfs/dbraw/zinc/86/29/52/173862952.db2.gz XDQKXGXEXMQZGB-UHFFFAOYSA-N 0 0 227.622 2.747 50 0 BFAARN COC(=O)c1ccc(C2=NC(=O)C(C)S2)cc1 ZINC000001385768 173865732 /nfs/dbraw/zinc/86/57/32/173865732.db2.gz PIMOKRKXBVBGIP-UHFFFAOYSA-N 0 0 249.291 2.611 50 0 BFAARN COC(=O)c1cccc(-c2cc(C)ns2)c1 ZINC000091695994 173891925 /nfs/dbraw/zinc/89/19/25/173891925.db2.gz GRVPVFGLQWKWLY-UHFFFAOYSA-N 0 0 233.292 2.905 50 0 BFAARN COC(=O)c1cccc(-c2ccccc2O)c1 ZINC000016945827 173893106 /nfs/dbraw/zinc/89/31/06/173893106.db2.gz BRGRVHYFRYIRLD-UHFFFAOYSA-N 0 0 228.247 2.846 50 0 BFAARN COC(=O)c1cccc2[nH]c3c(c21)CCCC3 ZINC000006657984 173897067 /nfs/dbraw/zinc/89/70/67/173897067.db2.gz LVQSBFDBVJYCMI-UHFFFAOYSA-N 0 0 229.279 2.833 50 0 BFAARN COC(=O)c1oc2cc(OC)ccc2c1C ZINC000009028502 173919702 /nfs/dbraw/zinc/91/97/02/173919702.db2.gz QGKKCLCBJUUFMC-UHFFFAOYSA-N 0 0 220.224 2.536 50 0 BFAARN COC(OC)c1cc2cc(Cl)cnc2o1 ZINC000066054359 173965707 /nfs/dbraw/zinc/96/57/07/173965707.db2.gz UFVABXALQYXGSV-UHFFFAOYSA-N 0 0 227.647 2.773 50 0 BFAARN COC1=CCN(C(=O)OCc2ccccc2)CC1 ZINC000044124238 174014669 /nfs/dbraw/zinc/01/46/69/174014669.db2.gz MLKJFCDEYVWDHR-UHFFFAOYSA-N 0 0 247.294 2.559 50 0 BFAARN COCC(=O)N1CCCC2(CCCCC2)CC1 ZINC000190681772 174041200 /nfs/dbraw/zinc/04/12/00/174041200.db2.gz ATDRHHNWMPKXJJ-UHFFFAOYSA-N 0 0 239.359 2.596 50 0 BFAARN COCC(=O)N1CCC[C@H](C)c2ccccc21 ZINC000097111699 174041754 /nfs/dbraw/zinc/04/17/54/174041754.db2.gz OVKZRXHPDQMQKG-NSHDSACASA-N 0 0 233.311 2.563 50 0 BFAARN COCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000027319512 174054376 /nfs/dbraw/zinc/05/43/76/174054376.db2.gz NPIBTYVWVKVQAF-NSHDSACASA-N 0 0 243.306 2.663 50 0 BFAARN COCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000363468 174058280 /nfs/dbraw/zinc/05/82/80/174058280.db2.gz SWLGNMLECWYELD-UHFFFAOYSA-N 0 0 234.082 2.578 50 0 BFAARN COCC(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000174669043 174058315 /nfs/dbraw/zinc/05/83/15/174058315.db2.gz XAODTZSHICMQGU-UHFFFAOYSA-N 0 0 247.216 2.599 50 0 BFAARN COCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000040442682 174159104 /nfs/dbraw/zinc/15/91/04/174159104.db2.gz MQFWLBMPVPCNRM-UHFFFAOYSA-N 0 0 243.347 2.670 50 0 BFAARN COCCCOc1ccc(Br)cc1 ZINC000037506376 174256660 /nfs/dbraw/zinc/25/66/60/174256660.db2.gz IBTRRSNXSNWLRO-UHFFFAOYSA-N 0 0 245.116 2.864 50 0 BFAARN COCCCOc1ccccc1Br ZINC000037506356 174257129 /nfs/dbraw/zinc/25/71/29/174257129.db2.gz KQQOBVYZTUAQAG-UHFFFAOYSA-N 0 0 245.116 2.864 50 0 BFAARN COCCCSCc1ncccc1C ZINC000187862342 174259009 /nfs/dbraw/zinc/25/90/09/174259009.db2.gz DVWWJDUOQWUSOV-UHFFFAOYSA-N 0 0 211.330 2.660 50 0 BFAARN COCCN(C)Cc1c(F)cccc1Cl ZINC000053403397 174281732 /nfs/dbraw/zinc/28/17/32/174281732.db2.gz FTOVFAAJYJXZID-UHFFFAOYSA-N 0 0 231.698 2.557 50 0 BFAARN COCCOC(=O)Nc1ccc(Cl)cc1C ZINC000002172088 174343283 /nfs/dbraw/zinc/34/32/83/174343283.db2.gz ZYKHSEZHQPZTAL-UHFFFAOYSA-N 0 0 243.690 2.843 50 0 BFAARN COCC[C@@H](C)SCc1ccccn1 ZINC000095991025 174387968 /nfs/dbraw/zinc/38/79/68/174387968.db2.gz PKWUJFZERYIYED-SNVBAGLBSA-N 0 0 211.330 2.740 50 0 BFAARN COCOc1ccc(C)cc1Br ZINC000038953448 174432697 /nfs/dbraw/zinc/43/26/97/174432697.db2.gz SJWKLDHXNANXLL-UHFFFAOYSA-N 0 0 231.089 2.740 50 0 BFAARN COCc1cccc(NC(=O)NC2CCCC2)c1 ZINC000031045008 174632087 /nfs/dbraw/zinc/63/20/87/174632087.db2.gz RLWWBXOAFBFZDD-UHFFFAOYSA-N 0 0 248.326 2.897 50 0 BFAARN COc1c2ccoc2cc2oc(C)cc(=O)c21 ZINC000000120179 174936682 /nfs/dbraw/zinc/93/66/82/174936682.db2.gz NZVQLVGOZRELTG-UHFFFAOYSA-N 0 0 230.219 2.856 50 0 biogenic,in-vitro BFAARN COc1cc(OC(F)(F)F)ccc1C(C)=O ZINC000002527887 175006571 /nfs/dbraw/zinc/00/65/71/175006571.db2.gz YAMJXZPRMMJVTQ-UHFFFAOYSA-N 0 0 234.173 2.796 50 0 BFAARN COc1cc2c(C)c(C=O)[nH]c2cc1Cl ZINC000082600102 175018294 /nfs/dbraw/zinc/01/82/94/175018294.db2.gz DBTHXXOHEQFIJK-UHFFFAOYSA-N 0 0 223.659 2.951 50 0 BFAARN COc1cc2c(cc1OC)C(C)(C)CC2=O ZINC000005762113 175024937 /nfs/dbraw/zinc/02/49/37/175024937.db2.gz KYEDLQFODOWDRO-UHFFFAOYSA-N 0 0 220.268 2.568 50 0 BFAARN COc1cc2cc3c(nc2cc1Cl)NCC3 ZINC000061997425 175026545 /nfs/dbraw/zinc/02/65/45/175026545.db2.gz MPQYSCPOVIJZHO-UHFFFAOYSA-N 0 0 234.686 2.865 50 0 BFAARN COc1ccc(-c2ccc(C(C)=O)cn2)cc1 ZINC000040448161 175032875 /nfs/dbraw/zinc/03/28/75/175032875.db2.gz OWSNIPNNXNMXMR-UHFFFAOYSA-N 0 0 227.263 2.960 50 0 BFAARN COc1ccc(-c2ccc(C=O)cn2)c(OC)c1 ZINC000002527585 175033427 /nfs/dbraw/zinc/03/34/27/175033427.db2.gz HGSSNRYEJPADNF-UHFFFAOYSA-N 0 0 243.262 2.578 50 0 BFAARN COc1ccc(-c2cccc(C=O)n2)cc1 ZINC000020443254 175034455 /nfs/dbraw/zinc/03/44/55/175034455.db2.gz JLUDQJVIZSPJFQ-UHFFFAOYSA-N 0 0 213.236 2.570 50 0 BFAARN COc1ccc(-c2ccncc2C=O)cc1 ZINC000002574337 175035862 /nfs/dbraw/zinc/03/58/62/175035862.db2.gz GKHCTJINMOUECD-UHFFFAOYSA-N 0 0 213.236 2.570 50 0 BFAARN COc1ccc(-c2csc(C=O)n2)cc1 ZINC000002582744 175037719 /nfs/dbraw/zinc/03/77/19/175037719.db2.gz IMOHBXSAZWFMHK-UHFFFAOYSA-N 0 0 219.265 2.631 50 0 BFAARN COc1ccc(-c2nc(C=O)cs2)cc1 ZINC000004219149 175038572 /nfs/dbraw/zinc/03/85/72/175038572.db2.gz YZUAAQCBGVFCRK-UHFFFAOYSA-N 0 0 219.265 2.631 50 0 BFAARN COc1ccc(-c2noc(NC(C)C)n2)cc1 ZINC000033265820 175043486 /nfs/dbraw/zinc/04/34/86/175043486.db2.gz KCXHUXSOZKJFRZ-UHFFFAOYSA-N 0 0 233.271 2.566 50 0 BFAARN COc1ccc(-n2cc[nH]c2=S)c(C)c1 ZINC000061568339 175044067 /nfs/dbraw/zinc/04/40/67/175044067.db2.gz VJTCCWVNLFWRJK-UHFFFAOYSA-N 0 0 220.297 2.852 50 0 BFAARN COc1ccc(Br)c2cc[nH]c21 ZINC000044185172 175051433 /nfs/dbraw/zinc/05/14/33/175051433.db2.gz WCEJDYPAEFIBCD-UHFFFAOYSA-N 0 0 226.073 2.939 50 0 BFAARN COc1ccc(C(=O)NC2CCCCCC2)cn1 ZINC000016206434 175058336 /nfs/dbraw/zinc/05/83/36/175058336.db2.gz WWACJYGXLZLLRT-UHFFFAOYSA-N 0 0 248.326 2.543 50 0 BFAARN COc1ccc(C(=O)NCCC(C)C)cc1C ZINC000009140103 175059469 /nfs/dbraw/zinc/05/94/69/175059469.db2.gz XSYJCNWLHNKTKU-UHFFFAOYSA-N 0 0 235.327 2.780 50 0 BFAARN COc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000000061525 175063703 /nfs/dbraw/zinc/06/37/03/175063703.db2.gz XOJAJRFBOKCXPI-UHFFFAOYSA-N 0 0 227.263 2.948 50 0 BFAARN COc1ccc(C(=O)Nc2ccccc2)cc1N ZINC000000157178 175063875 /nfs/dbraw/zinc/06/38/75/175063875.db2.gz LHMQDVIHBXWNII-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1ccc(C(C)=O)cc1C(F)(F)F ZINC000002572879 175068607 /nfs/dbraw/zinc/06/86/07/175068607.db2.gz ABUSWLOUSQWWLA-UHFFFAOYSA-N 0 0 218.174 2.917 50 0 BFAARN COc1ccc(C)cc1NC(=O)[C@H]1C[C@@H]1C ZINC000005701525 175077472 /nfs/dbraw/zinc/07/74/72/175077472.db2.gz CPKOFABARXXKLF-UWVGGRQHSA-N 0 0 219.284 2.598 50 0 BFAARN COc1ccc(C)cc1NC(=O)c1cccnc1 ZINC000000438399 175077857 /nfs/dbraw/zinc/07/78/57/175077857.db2.gz CDJFXULWJRNRJX-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(C=O)cc1O[C@@H]1C=CCCC1 ZINC000005361298 175086662 /nfs/dbraw/zinc/08/66/62/175086662.db2.gz OWNCBDUCJKRVEB-GFCCVEGCSA-N 0 0 232.279 2.995 50 0 BFAARN COc1ccc(Cl)cc1-c1csc(=O)[nH]1 ZINC000041285719 175119700 /nfs/dbraw/zinc/11/97/00/175119700.db2.gz FFPQQUPRJOENDQ-UHFFFAOYSA-N 0 0 241.699 2.765 50 0 BFAARN COc1ccc(Cl)cc1Cn1ccnc1 ZINC000013283489 175121103 /nfs/dbraw/zinc/12/11/03/175121103.db2.gz BRNDWIVGTMCQFM-UHFFFAOYSA-N 0 0 222.675 2.593 50 0 BFAARN COc1ccc(F)c(Br)c1F ZINC000075915368 175124489 /nfs/dbraw/zinc/12/44/89/175124489.db2.gz QNFOZBRZMUNYGW-UHFFFAOYSA-N 0 0 223.016 2.736 50 0 BFAARN COc1ccc(N)cc1NC(=O)OC(C)(C)C ZINC000019415722 175138361 /nfs/dbraw/zinc/13/83/61/175138361.db2.gz AVVCSVAHHQOYFE-UHFFFAOYSA-N 0 0 238.287 2.624 50 0 BFAARN COc1ccc(NC(=O)CCC2CCCC2)cn1 ZINC000008018802 175141337 /nfs/dbraw/zinc/14/13/37/175141337.db2.gz OVOLOOSOLJFAEK-UHFFFAOYSA-N 0 0 248.326 2.999 50 0 BFAARN COc1ccc(NC(=O)CC[C@H]2CCCO2)cc1 ZINC000031872744 175141570 /nfs/dbraw/zinc/14/15/70/175141570.db2.gz YBIXUMCZGAOIEF-CYBMUJFWSA-N 0 0 249.310 2.593 50 0 BFAARN COc1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000000245757 175144844 /nfs/dbraw/zinc/14/48/44/175144844.db2.gz BBLOSRZQMXTDJI-UHFFFAOYSA-N 0 0 249.188 2.806 50 0 BFAARN COc1ccc(NC(=O)[C@@H]2CC=CCC2)c(C)n1 ZINC000098019339 175145834 /nfs/dbraw/zinc/14/58/34/175145834.db2.gz VBBAPFGXWJBBJS-LLVKDONJSA-N 0 0 246.310 2.693 50 0 BFAARN COc1ccc(NC(=O)[C@@H](C)n2cccc2)cc1 ZINC000006808573 175145966 /nfs/dbraw/zinc/14/59/66/175145966.db2.gz GMWQDGZRFNQCJQ-LLVKDONJSA-N 0 0 244.294 2.696 50 0 BFAARN COc1ccc(NC(=O)c2cccc(N)c2)cc1 ZINC000000342656 175147660 /nfs/dbraw/zinc/14/76/60/175147660.db2.gz LWJRUDWWISWNHG-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1ccc(NC(=O)c2ccc(N)cc2)cc1 ZINC000000290993 175147734 /nfs/dbraw/zinc/14/77/34/175147734.db2.gz JJKVMNNUINFIRK-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1ccc(NC(=O)c2ccc(C)cc2)cn1 ZINC000011535921 175147801 /nfs/dbraw/zinc/14/78/01/175147801.db2.gz YAFMLJHIBXYJFU-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(NC(=O)c2ccoc2C)cc1 ZINC000000090742 175148190 /nfs/dbraw/zinc/14/81/90/175148190.db2.gz GMGGUKGQVCSNLY-UHFFFAOYSA-N 0 0 231.251 2.849 50 0 BFAARN COc1ccc(NCCCCCO)c(C)c1 ZINC000061567252 175150364 /nfs/dbraw/zinc/15/03/64/175150364.db2.gz SNCDXOLNOQHLCP-UHFFFAOYSA-N 0 0 223.316 2.578 50 0 BFAARN COc1ccc([C@@H]2CCCN2C(=O)C2CC2)cc1 ZINC000052920120 175182747 /nfs/dbraw/zinc/18/27/47/175182747.db2.gz TXIJHAPCZRCMHZ-AWEZNQCLSA-N 0 0 245.322 2.769 50 0 BFAARN COc1ccc2[nH]c3c(c2c1)C(=O)CCC3 ZINC000020217103 175201897 /nfs/dbraw/zinc/20/18/97/175201897.db2.gz UIONPYATGROVHA-UHFFFAOYSA-N 0 0 215.252 2.696 50 0 BFAARN COc1ccc2c(OC)ccc(C=O)c2c1 ZINC000002563921 175205695 /nfs/dbraw/zinc/20/56/95/175205695.db2.gz FFAODEUKHYBIKI-UHFFFAOYSA-N 0 0 216.236 2.670 50 0 BFAARN COc1ccc2nc(Cl)cc(Cl)c2n1 ZINC000091297320 175228687 /nfs/dbraw/zinc/22/86/87/175228687.db2.gz OBZCWYVPSYGAPU-UHFFFAOYSA-N 0 0 229.066 2.945 50 0 BFAARN COc1cccc(-c2nc(C=O)cs2)c1 ZINC000002654063 175236796 /nfs/dbraw/zinc/23/67/96/175236796.db2.gz AZBYGUZCRCHMPF-UHFFFAOYSA-N 0 0 219.265 2.631 50 0 BFAARN COc1cccc(/C=C/c2ccccn2)c1O ZINC000003882968 175241103 /nfs/dbraw/zinc/24/11/03/175241103.db2.gz GGIVUCSCCYLKPR-CMDGGOBGSA-N 0 0 227.263 2.966 50 0 BFAARN COc1cccc(C(=O)c2ccccc2Cl)n1 ZINC000045028725 175247173 /nfs/dbraw/zinc/24/71/73/175247173.db2.gz AZXRTRGKCGFZSO-UHFFFAOYSA-N 0 0 247.681 2.975 50 0 BFAARN COc1cccc(C(=O)c2ccc(C)cn2)c1 ZINC000045028526 175247325 /nfs/dbraw/zinc/24/73/25/175247325.db2.gz BERWDLLHOCKZMQ-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1cccc(C(=O)c2cc(C)ccc2C)n1 ZINC000045028773 175247517 /nfs/dbraw/zinc/24/75/17/175247517.db2.gz NKQGMAOMIXBBOT-UHFFFAOYSA-N 0 0 241.290 2.938 50 0 BFAARN COc1cccc(CCNC(=O)C2CCCC2)c1 ZINC000048298800 175251549 /nfs/dbraw/zinc/25/15/49/175251549.db2.gz WKDQPGIMKQWEHC-UHFFFAOYSA-N 0 0 247.338 2.544 50 0 BFAARN COc1cccc(CSc2ncc[nH]2)c1 ZINC000078996953 175270654 /nfs/dbraw/zinc/27/06/54/175270654.db2.gz YWNXXRYEBXCTTG-UHFFFAOYSA-N 0 0 220.297 2.711 50 0 BFAARN COc1cccc(C[C@@H]2CCCC(=O)C2)c1 ZINC000043210776 175271285 /nfs/dbraw/zinc/27/12/85/175271285.db2.gz SHLAQNMUAQEQED-NSHDSACASA-N 0 0 218.296 2.997 50 0 BFAARN COc1cccc(Cl)c1-c1ccnc(CO)c1 ZINC000065371581 175273402 /nfs/dbraw/zinc/27/34/02/175273402.db2.gz XEFGBXCTZQNQQP-UHFFFAOYSA-N 0 0 249.697 2.903 50 0 BFAARN COc1cccc(Cn2ccc(C3CC3)n2)c1 ZINC000097046868 175273467 /nfs/dbraw/zinc/27/34/67/175273467.db2.gz LTDITIPXHGDITO-UHFFFAOYSA-N 0 0 228.295 2.817 50 0 BFAARN COc1cccc(N)c1C(=O)c1ccccc1F ZINC000042784263 175274887 /nfs/dbraw/zinc/27/48/87/175274887.db2.gz LFUYWJFUAGHFFH-UHFFFAOYSA-N 0 0 245.253 2.648 50 0 BFAARN COc1cccc(NC(=O)N2CCC(C)CC2)c1 ZINC000006731294 175276072 /nfs/dbraw/zinc/27/60/72/175276072.db2.gz RHIPTQQOYKEYBF-UHFFFAOYSA-N 0 0 248.326 2.959 50 0 BFAARN COc1cccc(NC(=O)[C@H]2CC=CCC2)c1 ZINC000012918754 175277395 /nfs/dbraw/zinc/27/73/95/175277395.db2.gz BMIXXPRORDZBJB-NSHDSACASA-N 0 0 231.295 2.990 50 0 BFAARN COc1cccc(Oc2cncc(Cl)n2)c1 ZINC000038082253 175285247 /nfs/dbraw/zinc/28/52/47/175285247.db2.gz MTHCUVUKXYAKMB-UHFFFAOYSA-N 0 0 236.658 2.931 50 0 BFAARN COc1cccc(Sc2ccc(N)nc2)c1 ZINC000019869354 175285388 /nfs/dbraw/zinc/28/53/88/175285388.db2.gz RAAQKPHNTPUHRS-UHFFFAOYSA-N 0 0 232.308 2.824 50 0 BFAARN COc1cccc([C@@H](O)c2cccs2)c1 ZINC000000054635 175289533 /nfs/dbraw/zinc/28/95/33/175289533.db2.gz JXTVWBSRVWXIQE-GFCCVEGCSA-N 0 0 220.293 2.838 50 0 BFAARN COc1cccc2c(C=O)ccc(N(C)C)c12 ZINC000000558713 175299244 /nfs/dbraw/zinc/29/92/44/175299244.db2.gz USPRPEKFUIJGHE-UHFFFAOYSA-N 0 0 229.279 2.727 50 0 BFAARN COc1cccc2ccc(-c3cn[nH]c3)nc21 ZINC000032513833 175307103 /nfs/dbraw/zinc/30/71/03/175307103.db2.gz TWPLOCBFNQQVSN-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN COc1ccccc1/C=C/C(=O)NC(C)(C)C ZINC000004674945 175313957 /nfs/dbraw/zinc/31/39/57/175313957.db2.gz NBWPZZPPGSJZIJ-MDZDMXLPSA-N 0 0 233.311 2.623 50 0 BFAARN COc1ccccc1/C(C)=C\C(=O)NC(C)C ZINC000096297224 175314321 /nfs/dbraw/zinc/31/43/21/175314321.db2.gz AJWXGCULTFGOKP-LUAWRHEFSA-N 0 0 233.311 2.623 50 0 BFAARN COc1ccccc1C(=O)NCc1cccs1 ZINC000000376295 175318611 /nfs/dbraw/zinc/31/86/11/175318611.db2.gz JKZUWWJGVCFITI-UHFFFAOYSA-N 0 0 247.319 2.687 50 0 BFAARN COc1ccccc1C(=O)c1ccccc1OC ZINC000002574591 175319701 /nfs/dbraw/zinc/31/97/01/175319701.db2.gz GSNBCDKAHGNAIE-UHFFFAOYSA-N 0 0 242.274 2.935 50 0 BFAARN COc1ccccc1C(=O)c1ccccc1 ZINC000000071486 175320227 /nfs/dbraw/zinc/32/02/27/175320227.db2.gz CSUUDNFYSFENAE-UHFFFAOYSA-N 0 0 212.248 2.926 50 0 BFAARN COc1ccccc1CCNC(=O)C1CCCC1 ZINC000036397570 175323576 /nfs/dbraw/zinc/32/35/76/175323576.db2.gz QTBUGLGJAUEZAS-UHFFFAOYSA-N 0 0 247.338 2.544 50 0 BFAARN COc1ccccc1CN(C)C(=O)c1ccco1 ZINC000020043090 175324351 /nfs/dbraw/zinc/32/43/51/175324351.db2.gz VZVQXNSPEHFUGI-UHFFFAOYSA-N 0 0 245.278 2.560 50 0 BFAARN COc1ccccc1CNC(=O)c1cccs1 ZINC000000209617 175329224 /nfs/dbraw/zinc/32/92/24/175329224.db2.gz HVRMFTXLJODAPK-UHFFFAOYSA-N 0 0 247.319 2.687 50 0 BFAARN COc1ccccc1CNC(=O)c1ccoc1C ZINC000001052128 175329274 /nfs/dbraw/zinc/32/92/74/175329274.db2.gz LDPOSISNYBPNMK-UHFFFAOYSA-N 0 0 245.278 2.527 50 0 BFAARN COc1ccccc1NC(=O)c1ccco1 ZINC000000064758 175336944 /nfs/dbraw/zinc/33/69/44/175336944.db2.gz YLJBQYLAGGHKAM-UHFFFAOYSA-N 0 0 217.224 2.541 50 0 BFAARN COc1ccccc1Nc1cccccc1=O ZINC000000179228 175340168 /nfs/dbraw/zinc/34/01/68/175340168.db2.gz DLUGDUFNFUXHLO-UHFFFAOYSA-N 0 0 227.263 2.799 50 0 biogenic BFAARN COc1ccccc1[C@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC000023530452 175350958 /nfs/dbraw/zinc/35/09/58/175350958.db2.gz TXWFSBOJKQKTNF-NHCYSSNCSA-N 0 0 233.311 2.528 50 0 BFAARN COc1ccncc1NC(=O)CCC1CCCC1 ZINC000069413806 175375051 /nfs/dbraw/zinc/37/50/51/175375051.db2.gz MEZQUQHVGOHZOR-UHFFFAOYSA-N 0 0 248.326 2.999 50 0 BFAARN COc1ncc(Cc2ccc(C)cc2)cc1O ZINC000000186204 175399630 /nfs/dbraw/zinc/39/96/30/175399630.db2.gz BMCWHXWBSKGWPV-UHFFFAOYSA-N 0 0 229.279 2.695 50 0 BFAARN CS(=O)(=O)C(c1ccccc1)c1ccccc1 ZINC000058595297 175418446 /nfs/dbraw/zinc/41/84/46/175418446.db2.gz JWZJLQFATOGURI-UHFFFAOYSA-N 0 0 246.331 2.821 50 0 BFAARN CSCC(=O)N1CCC[C@H]1c1ccccc1 ZINC000032904122 175457822 /nfs/dbraw/zinc/45/78/22/175457822.db2.gz NBGYNUYTVICHBA-LBPRGKRZSA-N 0 0 235.352 2.713 50 0 BFAARN CSCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000007264005 175460655 /nfs/dbraw/zinc/46/06/55/175460655.db2.gz DPNOBFNGSOXGRA-GFCCVEGCSA-N 0 0 235.352 2.543 50 0 BFAARN CSCC(=O)Nc1ccc(Cl)cc1 ZINC000042484251 175461310 /nfs/dbraw/zinc/46/13/10/175461310.db2.gz ZIQJMXFJNBMHNO-UHFFFAOYSA-N 0 0 215.705 2.642 50 0 BFAARN CSCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000000142630 175461329 /nfs/dbraw/zinc/46/13/29/175461329.db2.gz LEROBRNYCQGXOJ-UHFFFAOYSA-N 0 0 233.695 2.781 50 0 BFAARN CS[C@@H]1CCCC[C@@H]1NC(=O)NC1CCC1 ZINC000098012732 175548373 /nfs/dbraw/zinc/54/83/73/175548373.db2.gz BFVWTHJVGQKKFP-WDEREUQCSA-N 0 0 242.388 2.512 50 0 BFAARN CS[C@H]1CCN(C(=O)c2ccccc2C)C1 ZINC000096119989 175568945 /nfs/dbraw/zinc/56/89/45/175568945.db2.gz VSVDVPUJWMJFJC-NSHDSACASA-N 0 0 235.352 2.573 50 0 BFAARN CSc1ccccc1NC(=O)NCC1CC1 ZINC000040526177 175583967 /nfs/dbraw/zinc/58/39/67/175583967.db2.gz ZDAFFUJZXPCZMF-UHFFFAOYSA-N 0 0 236.340 2.940 50 0 BFAARN C[C@@H](CCO)Nc1ncc(Cl)cc1Cl ZINC000133389953 175683716 /nfs/dbraw/zinc/68/37/16/175683716.db2.gz XYMWZGDZNBTDBJ-LURJTMIESA-N 0 0 235.114 2.571 50 0 BFAARN C[C@@H](NC(=O)CCC1CCCC1)[C@H]1CCCO1 ZINC000006700190 175829622 /nfs/dbraw/zinc/82/96/22/175829622.db2.gz SJULNWDEBXCCME-DGCLKSJQSA-N 0 0 239.359 2.641 50 0 BFAARN C[C@@H](NC(=O)NC1CC1)c1ccc(Cl)s1 ZINC000020536293 175837149 /nfs/dbraw/zinc/83/71/49/175837149.db2.gz DBPSVWNKITWIST-ZCFIWIBFSA-N 0 0 244.747 2.924 50 0 BFAARN C[C@@H](NC(=O)c1ccc(F)cc1)c1ccncc1 ZINC000006715492 175849279 /nfs/dbraw/zinc/84/92/79/175849279.db2.gz ULLOZPDGSRFNLU-SNVBAGLBSA-N 0 0 244.269 2.712 50 0 BFAARN C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000000395006 175985574 /nfs/dbraw/zinc/98/55/74/175985574.db2.gz ZBMCOYJNWKBBCY-SNVBAGLBSA-N 0 0 208.301 2.744 50 0 BFAARN C[C@@H](O)c1cccc(Br)c1 ZINC000000404021 175999123 /nfs/dbraw/zinc/99/91/23/175999123.db2.gz ULMJQMDYAOJNCC-ZCFIWIBFSA-N 0 0 201.063 2.502 50 0 BFAARN C[C@@H](Oc1ccc(Cl)cc1)c1ccnc(N)n1 ZINC000001399906 176003857 /nfs/dbraw/zinc/00/38/57/176003857.db2.gz WOLAWBYIEFHDQW-MRVPVSSYSA-N 0 0 249.701 2.852 50 0 BFAARN C[C@@H](c1ccccc1F)N(C)Cc1cnn(C)c1 ZINC000075572661 176024709 /nfs/dbraw/zinc/02/47/09/176024709.db2.gz BVWKGEBPHDILRJ-NSHDSACASA-N 0 0 247.317 2.752 50 0 BFAARN C[C@@H](c1cccnc1)N(C)Cc1ccccn1 ZINC000093234639 176028856 /nfs/dbraw/zinc/02/88/56/176028856.db2.gz KWMBEFLOIISRBC-LBPRGKRZSA-N 0 0 227.311 2.670 50 0 BFAARN C[C@@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccccc1 ZINC000000247223 176041577 /nfs/dbraw/zinc/04/15/77/176041577.db2.gz ALAYLHOMFJAZKV-ONGXEEELSA-N 0 0 232.279 2.516 50 0 BFAARN C[C@@H]1C(=O)O[C@H](c2ccccc2)C(C)(C)C1=O ZINC000000194870 176047245 /nfs/dbraw/zinc/04/72/45/176047245.db2.gz UMJRKBNYWMJTJT-JOYOIKCWSA-N 0 0 232.279 2.516 50 0 BFAARN C[C@@H]1CCCCN1C(=O)[C@H]1Cc2ccccc21 ZINC000071916452 176068372 /nfs/dbraw/zinc/06/83/72/176068372.db2.gz KQIIKRRNZJYVDH-RISCZKNCSA-N 0 0 229.323 2.727 50 0 BFAARN C[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000000029174 176068872 /nfs/dbraw/zinc/06/88/72/176068872.db2.gz YSIORHVCVRQUFC-SECBINFHSA-N 0 0 209.314 2.763 50 0 BFAARN C[C@@H]1CCCCN1CC(=O)c1ccccc1F ZINC000003306795 176068806 /nfs/dbraw/zinc/06/88/06/176068806.db2.gz LBWBSVPWFFGJEC-LLVKDONJSA-N 0 0 235.302 2.883 50 0 BFAARN C[C@@H]1CCCCN1C(=O)c1ccc(F)cc1F ZINC000003229852 176069088 /nfs/dbraw/zinc/06/90/88/176069088.db2.gz GKEYHHSCTGBSCU-SECBINFHSA-N 0 0 239.265 2.979 50 0 BFAARN C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccn1 ZINC000034937670 176069612 /nfs/dbraw/zinc/06/96/12/176069612.db2.gz TUBXNIABKOGNHN-SECBINFHSA-N 0 0 238.718 2.750 50 0 BFAARN C[C@@H]1CCCCN1C(=O)c1ccnc(Cl)c1 ZINC000019813378 176069636 /nfs/dbraw/zinc/06/96/36/176069636.db2.gz SZJMOBJLNCPSDE-SECBINFHSA-N 0 0 238.718 2.750 50 0 BFAARN C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1 ZINC000000388988 176078884 /nfs/dbraw/zinc/07/88/84/176078884.db2.gz HRMBSUOPIATDGS-OCCSQVGLSA-N 0 0 247.338 2.760 50 0 BFAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccco1 ZINC000000141618 176079989 /nfs/dbraw/zinc/07/99/89/176079989.db2.gz KOISEUVREFEOEJ-ZJUUUORDSA-N 0 0 207.273 2.588 50 0 BFAARN C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccco1 ZINC000040474212 176080245 /nfs/dbraw/zinc/08/02/45/176080245.db2.gz DNDSAZZLMNKKHJ-PWSUYJOCSA-N 0 0 236.315 2.658 50 0 BFAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccnc(F)c1 ZINC000041038711 176087497 /nfs/dbraw/zinc/08/74/97/176087497.db2.gz XAUJYEPLUXYYNZ-MWLCHTKSSA-N 0 0 236.290 2.529 50 0 BFAARN C[C@@H]1CCCN(C(=O)C2CC=CC2)CC1 ZINC000089929856 176090838 /nfs/dbraw/zinc/09/08/38/176090838.db2.gz VOIVYXITHSRMIW-LLVKDONJSA-N 0 0 207.317 2.601 50 0 BFAARN C[C@@H]1CCCN(C(=O)CCc2cccs2)C1 ZINC000012911251 176092151 /nfs/dbraw/zinc/09/21/51/176092151.db2.gz PMNZDCGWXLNCRF-LLVKDONJSA-N 0 0 237.368 2.939 50 0 BFAARN C[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000000030483 176092158 /nfs/dbraw/zinc/09/21/58/176092158.db2.gz OXWXZIOXNXGEQV-CYBMUJFWSA-N 0 0 231.339 2.878 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2c(F)cccc2F)C1 ZINC000001055067 176094623 /nfs/dbraw/zinc/09/46/23/176094623.db2.gz XPNHUIWKBJVXIW-SECBINFHSA-N 0 0 239.265 2.837 50 0 BFAARN C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000008730783 176100290 /nfs/dbraw/zinc/10/02/90/176100290.db2.gz FZWOQSMZYPCVNM-LLVKDONJSA-N 0 0 233.311 2.617 50 0 BFAARN C[C@@H]1CCC[C@@H](C)N1NC(=O)Nc1ccccc1 ZINC000006851566 176116336 /nfs/dbraw/zinc/11/63/36/176116336.db2.gz KVKGVVPJAWATOO-VXGBXAGGSA-N 0 0 247.342 2.986 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccnc(F)c2)C1 ZINC000041038983 176122691 /nfs/dbraw/zinc/12/26/91/176122691.db2.gz CQPOUINBWZXCAO-MWLCHTKSSA-N 0 0 236.290 2.529 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)c2ccco2)[C@@H]1C ZINC000006468239 176142878 /nfs/dbraw/zinc/14/28/78/176142878.db2.gz RZGCUTGKLOKALL-MXWKQRLJSA-N 0 0 221.300 2.834 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)c2ccccn2)[C@@H]1C ZINC000006435766 176142971 /nfs/dbraw/zinc/14/29/71/176142971.db2.gz CWMQOLYRWYJRRD-UTUOFQBUSA-N 0 0 232.327 2.636 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC000000406292 176143353 /nfs/dbraw/zinc/14/33/53/176143353.db2.gz BSTHPONDLDGVEB-YPMHNXCESA-N 0 0 217.312 2.995 50 0 BFAARN C[C@@H]1CCCc2sc3ncn4cnnc4c3c21 ZINC000000545805 176153953 /nfs/dbraw/zinc/15/39/53/176153953.db2.gz MGUFDDRFNBXHHY-SSDOTTSWSA-N 0 0 244.323 2.779 50 0 BFAARN C[C@@H]1CCN(C(=O)Nc2cccnc2)[C@H](C)C1 ZINC000095400066 176159558 /nfs/dbraw/zinc/15/95/58/176159558.db2.gz GJLGBBVJBBFWQW-GHMZBOCLSA-N 0 0 233.315 2.734 50 0 BFAARN C[C@@H]1CN(C(=O)CCC2CCCC2)[C@H](C)CO1 ZINC000045446161 176245043 /nfs/dbraw/zinc/24/50/43/176245043.db2.gz NXIITIGPLXYQIE-VXGBXAGGSA-N 0 0 239.359 2.593 50 0 BFAARN C[C@@H]1CN(Cc2csnn2)c2ccccc21 ZINC000097236466 176309954 /nfs/dbraw/zinc/30/99/54/176309954.db2.gz RRLDREGZPUUFBV-SECBINFHSA-N 0 0 231.324 2.662 50 0 BFAARN C[C@@H]1CN(c2ccnc3ccsc32)CCCO1 ZINC000174723954 176319647 /nfs/dbraw/zinc/31/96/47/176319647.db2.gz LVMFCXPYQJOFME-SNVBAGLBSA-N 0 0 248.351 2.912 50 0 BFAARN C[C@@H]1CN(c2nc3ccccc3s2)C[C@@H](C)O1 ZINC000013002882 176320838 /nfs/dbraw/zinc/32/08/38/176320838.db2.gz JSTYBIGJUUNOKH-NXEZZACHSA-N 0 0 248.351 2.910 50 0 BFAARN C[C@@H]1COc2ccc(Br)cc2N1 ZINC000062529562 176348157 /nfs/dbraw/zinc/34/81/57/176348157.db2.gz DAMUKFVLKNTFNK-ZCFIWIBFSA-N 0 0 228.089 2.642 50 0 BFAARN C[C@@H]1CSc2sc(=O)sc2S1 ZINC000003174444 176357141 /nfs/dbraw/zinc/35/71/41/176357141.db2.gz QVNLBDIQCOVMAW-GSVOUGTGSA-N 0 0 222.381 2.756 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)CCc2cccnc2)C1 ZINC000032747734 176359705 /nfs/dbraw/zinc/35/97/05/176359705.db2.gz VEWWSQCROMDKAF-CHWSQXEVSA-N 0 0 246.354 2.519 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000030860477 176360575 /nfs/dbraw/zinc/36/05/75/176360575.db2.gz CKRDLUVISVXYJK-RKDXNWHRSA-N 0 0 240.734 2.786 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000012916158 176386455 /nfs/dbraw/zinc/38/64/55/176386455.db2.gz BEYWKICFLRGLEB-KCJUWKMLSA-N 0 0 223.703 2.612 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000078792769 176386759 /nfs/dbraw/zinc/38/67/59/176386759.db2.gz YLSHQKYEVVSIEL-KVSVUVNWSA-N 0 0 221.344 2.822 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000071853716 176386856 /nfs/dbraw/zinc/38/68/56/176386856.db2.gz LCSKOWQGWZJIGA-APPZFPTMSA-N 0 0 241.693 2.751 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000012915210 176387361 /nfs/dbraw/zinc/38/73/61/176387361.db2.gz BVFWVDWDLGJAFT-DDTOSNHZSA-N 0 0 229.323 2.910 50 0 BFAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCC2CC2)o1 ZINC000043752487 176406943 /nfs/dbraw/zinc/40/69/43/176406943.db2.gz WKDRNSSPNDPGLC-MFKMUULPSA-N 0 0 247.338 2.862 50 0 BFAARN C[C@@H]1C[C@H](O)c2cc(Br)ccc2N1 ZINC000003999041 176429664 /nfs/dbraw/zinc/42/96/64/176429664.db2.gz USYQORVUJKRYHT-LDWIPMOCSA-N 0 0 242.116 2.687 50 0 biogenic BFAARN C[C@@]1(C(=O)NC2CCCC2)CC1(Cl)Cl ZINC000040160894 176524148 /nfs/dbraw/zinc/52/41/48/176524148.db2.gz BYZDQGFSCCPEPU-VIFPVBQESA-N 0 0 236.142 2.629 50 0 BFAARN C[C@H](C1CC1)N(C)C(=O)c1ccccc1 ZINC000012974522 176592356 /nfs/dbraw/zinc/59/23/56/176592356.db2.gz AMTGZUDJIQHYFF-SNVBAGLBSA-N 0 0 203.285 2.557 50 0 BFAARN C[C@H](C1CC1)N(C)c1ncnc2sccc21 ZINC000012552872 176593835 /nfs/dbraw/zinc/59/38/35/176593835.db2.gz FDQLCOORJAVABE-MRVPVSSYSA-N 0 0 233.340 2.926 50 0 BFAARN C[C@H](CCCC(C)(C)O)NC(=O)c1ccccc1 ZINC000038869554 176617891 /nfs/dbraw/zinc/61/78/91/176617891.db2.gz SIKLNRKYQTZWLZ-GFCCVEGCSA-N 0 0 249.354 2.746 50 0 BFAARN C[C@H](O)[C@H](O)C(c1ccccc1)c1ccccc1 ZINC000096319147 177014184 /nfs/dbraw/zinc/01/41/84/177014184.db2.gz UBXVULCUJFPOFQ-LRDDRELGSA-N 0 0 242.318 2.560 50 0 BFAARN C[C@H](O)c1ncc(C(F)(F)F)cc1Cl ZINC000001390371 177018786 /nfs/dbraw/zinc/01/87/86/177018786.db2.gz IOSFJFKGYDWBRF-BYPYZUCNSA-N 0 0 225.597 2.807 50 0 BFAARN C[C@H](Oc1cccc(Cl)c1)n1cncn1 ZINC000002473921 177023458 /nfs/dbraw/zinc/02/34/58/177023458.db2.gz NHOYPQIQGDWPCS-QMMMGPOBSA-N 0 0 223.663 2.529 50 0 BFAARN C[C@H](Oc1ccccc1)c1n[nH]c(=S)n1C ZINC000005912058 177024562 /nfs/dbraw/zinc/02/45/62/177024562.db2.gz OBQMSUPVWZLDOP-QMMMGPOBSA-N 0 0 235.312 2.618 50 0 BFAARN C[C@H](SCc1ccc(F)cc1Cl)C(N)=O ZINC000045089931 177027599 /nfs/dbraw/zinc/02/75/99/177027599.db2.gz MPDVVKJFFONTSY-LURJTMIESA-N 0 0 247.722 2.586 50 0 BFAARN C[C@H](Sc1ccccc1Cl)C(=O)N(C)C ZINC000032741546 177029307 /nfs/dbraw/zinc/02/93/07/177029307.db2.gz TVMQTVFEEXGLGY-QMMMGPOBSA-N 0 0 243.759 2.909 50 0 BFAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)C ZINC000033026219 177029311 /nfs/dbraw/zinc/02/93/11/177029311.db2.gz MNZWFADELBONBQ-QMMMGPOBSA-N 0 0 243.759 2.909 50 0 BFAARN C[C@H](Sc1cn[nH]n1)c1ccccc1F ZINC000084660757 177029849 /nfs/dbraw/zinc/02/98/49/177029849.db2.gz FCSSFAVQWBJLGH-ZETCQYMHSA-N 0 0 223.276 2.797 50 0 BFAARN C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000033868091 177041286 /nfs/dbraw/zinc/04/12/86/177041286.db2.gz ZOLWZYIMYQTEKB-SNVBAGLBSA-N 0 0 225.719 2.733 50 0 BFAARN C[C@H](c1cccnc1)N(C)Cc1ccccn1 ZINC000093234640 177044754 /nfs/dbraw/zinc/04/47/54/177044754.db2.gz KWMBEFLOIISRBC-GFCCVEGCSA-N 0 0 227.311 2.670 50 0 BFAARN C[C@H]1CCCCN1C(=O)NCc1cccs1 ZINC000048644216 177073023 /nfs/dbraw/zinc/07/30/23/177073023.db2.gz BFUWQXNMZDFXCU-JTQLQIEISA-N 0 0 238.356 2.832 50 0 BFAARN C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000047474188 177076940 /nfs/dbraw/zinc/07/69/40/177076940.db2.gz HOPDZUOXNPWGEI-VIFPVBQESA-N 0 0 239.340 2.821 50 0 BFAARN C[C@H]1CCCC[C@@H]1NC(=O)Nc1nccs1 ZINC000042738132 177081675 /nfs/dbraw/zinc/08/16/75/177081675.db2.gz NCQOCTSLTFRBEN-IUCAKERBSA-N 0 0 239.344 2.843 50 0 BFAARN C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccco1 ZINC000040474213 177081908 /nfs/dbraw/zinc/08/19/08/177081908.db2.gz DNDSAZZLMNKKHJ-JQWIXIFHSA-N 0 0 236.315 2.658 50 0 BFAARN C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccncc1 ZINC000032787696 177087556 /nfs/dbraw/zinc/08/75/56/177087556.db2.gz AKYARILXZCLJMB-WCQYABFASA-N 0 0 232.327 2.732 50 0 BFAARN C[C@H]1CCCC[C@H]1NC(=O)CC(F)(F)F ZINC000043070931 177087776 /nfs/dbraw/zinc/08/77/76/177087776.db2.gz WHJAJWGWXYOJFY-JGVFFNPUSA-N 0 0 223.238 2.634 50 0 BFAARN C[C@H]1CCCN(Cc2nnc(C(C)(C)C)o2)C1 ZINC000046837860 177103276 /nfs/dbraw/zinc/10/32/76/177103276.db2.gz JBQSKKZFMATJSI-JTQLQIEISA-N 0 0 237.347 2.599 50 0 BFAARN C[C@H]1CCCN(Cc2nccn2C(F)F)C1 ZINC000078241670 177103303 /nfs/dbraw/zinc/10/33/03/177103303.db2.gz FZCGMAHJHIDDBE-VIFPVBQESA-N 0 0 229.274 2.510 50 0 BFAARN C[C@H]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC000000406289 177122348 /nfs/dbraw/zinc/12/23/48/177122348.db2.gz BSTHPONDLDGVEB-WCQYABFASA-N 0 0 217.312 2.995 50 0 BFAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(C2CC2)on1 ZINC000013363681 177131090 /nfs/dbraw/zinc/13/10/90/177131090.db2.gz NUDNIKYFPABEBH-UWVGGRQHSA-N 0 0 248.326 2.955 50 0 BFAARN C[C@H]1CCc2c(sc3ncnc(N(C)C)c23)C1 ZINC000003458141 177209356 /nfs/dbraw/zinc/20/93/56/177209356.db2.gz SYQYGMYLOKJBRT-QMMMGPOBSA-N 0 0 247.367 2.882 50 0 BFAARN C[C@H]1CCc2nn3ccnc(Cl)c3c2C1 ZINC000096516368 177210445 /nfs/dbraw/zinc/21/04/45/177210445.db2.gz NRDXLWPKUQARHM-ZETCQYMHSA-N 0 0 221.691 2.508 50 0 BFAARN C[C@H]1C[C@@H](NC(=S)N(C)C)CC(C)(C)C1 ZINC000000097026 177331267 /nfs/dbraw/zinc/33/12/67/177331267.db2.gz SKCBGLHGCCBEEY-VHSXEESVSA-N 0 0 228.405 2.637 50 0 BFAARN C[C@@H]1CC[C@H](OC(=O)c2cocn2)C[C@@H]1C ZINC000097163001 177338564 /nfs/dbraw/zinc/33/85/64/177338564.db2.gz IIOSMUAHNLIVFT-UTLUCORTSA-N 0 0 223.272 2.656 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000071853717 177340223 /nfs/dbraw/zinc/34/02/23/177340223.db2.gz LCSKOWQGWZJIGA-CBAPKCEASA-N 0 0 241.693 2.751 50 0 BFAARN C[C@H]1C[C@@H]1NC(=O)c1ncoc1-c1cccs1 ZINC000069702378 177350079 /nfs/dbraw/zinc/35/00/79/177350079.db2.gz PVYXXYHNJTZART-YUMQZZPRSA-N 0 0 248.307 2.541 50 0 BFAARN C[C@H]1C[C@H](C)CN(C(=O)Cc2ccc(F)cc2)C1 ZINC000000073890 177357669 /nfs/dbraw/zinc/35/76/69/177357669.db2.gz REQIKLMUMQHHKZ-RYUDHWBXSA-N 0 0 249.329 2.873 50 0 BFAARN C[C@H]1C[C@H](C)CN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000030860495 177357734 /nfs/dbraw/zinc/35/77/34/177357734.db2.gz CKRDLUVISVXYJK-IUCAKERBSA-N 0 0 240.734 2.786 50 0 BFAARN C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCC(=O)[O-] ZINC000116402597 177375786 /nfs/dbraw/zinc/37/57/86/177375786.db2.gz ONVKAZCNWPJCEK-JSGCOSHPSA-N 0 0 247.338 2.729 50 0 BFAARN C[C@H]1C[C@H]1c1nc(-c2cnc3ccccn23)no1 ZINC000225553490 177387402 /nfs/dbraw/zinc/38/74/02/177387402.db2.gz LNMPVLLCUBCXLA-DTWKUNHWSA-N 0 0 240.266 2.508 50 0 BFAARN C[Si](C)(C)C[C@@H](O)Cc1ccccc1 ZINC000169820054 177499140 /nfs/dbraw/zinc/49/91/40/177499140.db2.gz FDDSMWUFJNULIF-LBPRGKRZSA-N 0 0 208.377 2.928 50 0 BFAARN COC(=O)/C=C/c1cc(C)c(C)cc1C ZINC000058787352 322939701 /nfs/dbraw/zinc/93/97/01/322939701.db2.gz OGTDXGAZQYTAEB-AATRIKPKSA-N 0 0 204.269 2.798 50 0 BFAARN CCOC(=O)CCCC[C@@H]1C=CC(=O)CC1 ZINC000045071667 262790375 /nfs/dbraw/zinc/79/03/75/262790375.db2.gz UDVXXKZTSBGMEF-LLVKDONJSA-N 0 0 224.300 2.645 50 0 BFAARN CC1=CC[C@H]2[C@@H](C1)[C@@H](O)[C@H]1CC=C(C)C[C@H]1[C@H]2O ZINC000257358615 262791639 /nfs/dbraw/zinc/79/16/39/262791639.db2.gz VJTLGAFBMXQRLJ-DERJNBNXSA-N 0 0 248.366 2.667 50 0 BFAARN CCCCCC[C@H](C)NC(=O)NCC ZINC000060487207 487796542 /nfs/dbraw/zinc/79/65/42/487796542.db2.gz JPZWPZSGBDKEQC-JTQLQIEISA-N 0 0 200.326 2.664 50 0 BFAARN Cc1ccc(C)c(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000023114890 487860548 /nfs/dbraw/zinc/86/05/48/487860548.db2.gz JZSZNRKRQYEFDP-ZIAGYGMSSA-N 0 0 233.355 2.913 50 0 BFAARN Clc1ccnc(NCc2cccs2)n1 ZINC000083354283 487906088 /nfs/dbraw/zinc/90/60/88/487906088.db2.gz OQNJAPLSDQKIMN-UHFFFAOYSA-N 0 0 225.704 2.804 50 0 BFAARN COc1cccc(CNc2cc(C)on2)c1OC ZINC000083378385 487909512 /nfs/dbraw/zinc/90/95/12/487909512.db2.gz AJCVVXQOKLYBLY-UHFFFAOYSA-N 0 0 248.282 2.612 50 0 BFAARN Cc1cc(-c2ccc3cc[nH]c(=O)c3c2)n[nH]1 ZINC000534576091 323153735 /nfs/dbraw/zinc/15/37/35/323153735.db2.gz IYBPEBNUUHYYQT-UHFFFAOYSA-N 0 0 225.251 2.639 50 0 BFAARN CCCc1cnc(C)nc1-c1c(C)n[nH]c1C ZINC000534581957 323153974 /nfs/dbraw/zinc/15/39/74/323153974.db2.gz DBKWYEMHPROTSY-UHFFFAOYSA-N 0 0 230.315 2.744 50 0 BFAARN COc1ccc(-c2ncc(F)c(OC)n2)cc1C ZINC000534649801 323158298 /nfs/dbraw/zinc/15/82/98/323158298.db2.gz FSQWGUWLRSMEHE-UHFFFAOYSA-N 0 0 248.257 2.608 50 0 BFAARN CCc1c(C)nc(C)nc1-c1cccc(CO)c1 ZINC000534667049 323158547 /nfs/dbraw/zinc/15/85/47/323158547.db2.gz WSNASDMGKFWVCE-UHFFFAOYSA-N 0 0 242.322 2.815 50 0 BFAARN O=C(C[C@H]1CC1(F)F)NC1(C2CCCC2)CC1 ZINC000534661861 323159082 /nfs/dbraw/zinc/15/90/82/323159082.db2.gz GYTFIYQAJIGCLK-JTQLQIEISA-N 0 0 243.297 2.871 50 0 BFAARN Cc1cc(Br)cc(N)c1C ZINC000059702853 324017481 /nfs/dbraw/zinc/01/74/81/324017481.db2.gz BVFKMKMJQJDOPR-UHFFFAOYSA-N 0 0 200.079 2.648 50 0 BFAARN CC(=O)N1CCC[C@@H](COc2cccc(C)c2)C1 ZINC000062555678 324213453 /nfs/dbraw/zinc/21/34/53/324213453.db2.gz NDYJQEDNRTUERW-CQSZACIVSA-N 0 0 247.338 2.632 50 0 BFAARN CC(C)CCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000046488811 487968330 /nfs/dbraw/zinc/96/83/30/487968330.db2.gz WHQLYCLIFYTQKW-CHWSQXEVSA-N 0 0 239.359 2.593 50 0 BFAARN O=c1cc(CSc2cccs2)occ1O ZINC000089800042 325669590 /nfs/dbraw/zinc/66/95/90/325669590.db2.gz COEINHQNYDPYIJ-UHFFFAOYSA-N 0 0 240.305 2.699 50 0 BFAARN CC1(C)CCN1C(=O)c1cccc2ncccc21 ZINC000089919484 325671236 /nfs/dbraw/zinc/67/12/36/325671236.db2.gz ZYVSEQADISXSEC-UHFFFAOYSA-N 0 0 240.306 2.859 50 0 BFAARN Cc1cc(CN(Cc2ccncc2)C2CC2)on1 ZINC000215335604 488009218 /nfs/dbraw/zinc/00/92/18/488009218.db2.gz JVWQXBDGBQYALW-UHFFFAOYSA-N 0 0 243.310 2.543 50 0 BFAARN CC(C)COC[C@@H](C)NC(=O)C1(C)CCCC1 ZINC000084544396 488058117 /nfs/dbraw/zinc/05/81/17/488058117.db2.gz ULQBNBLVAZBVJR-GFCCVEGCSA-N 0 0 241.375 2.744 50 0 BFAARN CC(C)COC[C@H](C)NC(=O)C1(C)CCCC1 ZINC000084544397 488058131 /nfs/dbraw/zinc/05/81/31/488058131.db2.gz ULQBNBLVAZBVJR-LBPRGKRZSA-N 0 0 241.375 2.744 50 0 BFAARN CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OCC ZINC000084740602 488089545 /nfs/dbraw/zinc/08/95/45/488089545.db2.gz YTWLYZARXLUWAX-UPJWGTAASA-N 0 0 241.375 2.887 50 0 BFAARN CCCCCC[C@@H](C)NC(=O)N1CCC1 ZINC000084743063 488090342 /nfs/dbraw/zinc/09/03/42/488090342.db2.gz WHUYWFTTXMXOFS-LLVKDONJSA-N 0 0 212.337 2.761 50 0 BFAARN CCCn1cc(-c2ncnn2C(C)(C)C)c(C)n1 ZINC000670450662 487500717 /nfs/dbraw/zinc/50/07/17/487500717.db2.gz GFHRBVADFRKQCE-UHFFFAOYSA-N 0 0 247.346 2.615 50 0 BFAARN Cc1nc(CCc2cccnc2)n(C(C)(C)C)n1 ZINC000670466083 487519253 /nfs/dbraw/zinc/51/92/53/487519253.db2.gz NKPVOORNJRKLES-UHFFFAOYSA-N 0 0 244.342 2.522 50 0 BFAARN CCOC(=O)c1csc(CC(C)C)n1 ZINC000035923769 487675470 /nfs/dbraw/zinc/67/54/70/487675470.db2.gz DIJHMSPHFZFWJS-UHFFFAOYSA-N 0 0 213.302 2.518 50 0 BFAARN Cc1ccc(CCOC(=O)C2CCOCC2)cc1 ZINC000084148813 488218366 /nfs/dbraw/zinc/21/83/66/488218366.db2.gz FYYGWLILIOYZID-UHFFFAOYSA-N 0 0 248.322 2.507 50 0 BFAARN CCOc1ccc(C=O)c(F)c1Cl ZINC000261507192 490271899 /nfs/dbraw/zinc/27/18/99/490271899.db2.gz GJGRZFNYYFHAAA-UHFFFAOYSA-N 0 0 202.612 2.690 50 0 BFAARN FC(F)(F)CN1CCc2sccc2C1 ZINC000126662879 490314034 /nfs/dbraw/zinc/31/40/34/490314034.db2.gz ANLBJLHXEBQOBN-UHFFFAOYSA-N 0 0 221.247 2.669 50 0 BFAARN CCC(=O)NCc1ccccc1N1CCCCC1 ZINC000097047603 491124104 /nfs/dbraw/zinc/12/41/04/491124104.db2.gz YHBXVXBPXPXBRR-UHFFFAOYSA-N 0 0 246.354 2.703 50 0 BFAARN O=C(CC1CCC1)Nc1ccc(O)cc1F ZINC000097083421 491124711 /nfs/dbraw/zinc/12/47/11/491124711.db2.gz LCVHEDALDOSBFY-UHFFFAOYSA-N 0 0 223.247 2.660 50 0 BFAARN COC(C[C@H](C)CCCC(C)(C)O)OC ZINC000002040973 574411776 /nfs/dbraw/zinc/41/17/76/574411776.db2.gz QCJVKUULZGKQDG-SNVBAGLBSA-N 0 0 218.337 2.573 50 0 endogenous,in-man BFAARN COC(=O)c1ccc(Br)cc1Cl ZINC000037367598 518024069 /nfs/dbraw/zinc/02/40/69/518024069.db2.gz JSNXIWYWUKTWAX-UHFFFAOYSA-N 0 0 249.491 2.889 50 0 BFAARN C(=C/C1=Cc2ccccc2OC1)\c1ccncn1 ZINC000157255634 518369034 /nfs/dbraw/zinc/36/90/34/518369034.db2.gz CZOAYVNXGHDXGK-AATRIKPKSA-N 0 0 236.274 2.966 50 0 BFAARN CC(C)CC(=O)NCCSC1CCCC1 ZINC000040511056 519595398 /nfs/dbraw/zinc/59/53/98/519595398.db2.gz DEVXCSDJJPYKRA-UHFFFAOYSA-N 0 0 229.389 2.825 50 0 BFAARN CC(C)CC(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000257177030 519582371 /nfs/dbraw/zinc/58/23/71/519582371.db2.gz DITMDJIVYFBDEK-CQSZACIVSA-N 0 0 247.338 2.712 50 0 BFAARN CC(=O)N1N=CC[C@@H]1[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C ZINC000239309725 519638634 /nfs/dbraw/zinc/63/86/34/519638634.db2.gz HUMGQYPYCXKRLK-CDGCEXEKSA-N 0 0 234.343 2.831 50 0 BFAARN CC(C)CCNC(=O)CCNc1ccccc1 ZINC000058392267 519656075 /nfs/dbraw/zinc/65/60/75/519656075.db2.gz DZKDWUUUUPBNFR-UHFFFAOYSA-N 0 0 234.343 2.651 50 0 BFAARN CCCCN(CC)C(=O)Cc1cccs1 ZINC000002756180 520464270 /nfs/dbraw/zinc/46/42/70/520464270.db2.gz XQYHCOZWOUKJII-UHFFFAOYSA-N 0 0 225.357 2.939 50 0 BFAARN CCn1cnnc1-c1ccccc1Cl ZINC000228232624 523577724 /nfs/dbraw/zinc/57/77/24/523577724.db2.gz OAHFUFKXEZSYNY-UHFFFAOYSA-N 0 0 207.664 2.618 50 0 BFAARN C[C@@H](C1CC1)N(C)C(=O)CCOc1ccccc1 ZINC000058415228 524315279 /nfs/dbraw/zinc/31/52/79/524315279.db2.gz HIPPLUKNXVPHLX-LBPRGKRZSA-N 0 0 247.338 2.712 50 0 BFAARN Cn1cccc(Br)c1=S ZINC000000481334 534777329 /nfs/dbraw/zinc/77/73/29/534777329.db2.gz JRWVHTLLVWXNRK-UHFFFAOYSA-N 0 0 204.092 2.517 50 0 BFAARN Cc1cccc(OCCNC(=O)C2CCCC2)c1 ZINC000056825716 524743036 /nfs/dbraw/zinc/74/30/36/524743036.db2.gz DQRMTMKCNNFYIV-UHFFFAOYSA-N 0 0 247.338 2.680 50 0 BFAARN Cc1ccc(OCCCC(=O)NC(C)C)c(C)c1 ZINC000001913823 525406262 /nfs/dbraw/zinc/40/62/62/525406262.db2.gz NALSOYIWODBYDI-UHFFFAOYSA-N 0 0 249.354 2.987 50 0 BFAARN Cc1ccc(OCCCCn2cncn2)c(C)c1 ZINC000058159007 525411745 /nfs/dbraw/zinc/41/17/45/525411745.db2.gz KGBRQXWGZOVDBY-UHFFFAOYSA-N 0 0 245.326 2.754 50 0 BFAARN Cc1noc(NCc2ccccc2Cl)n1 ZINC000057353886 526640792 /nfs/dbraw/zinc/64/07/92/526640792.db2.gz BOALRMVIADVQBU-UHFFFAOYSA-N 0 0 223.663 2.644 50 0 BFAARN Cc1nn(-c2ccccc2O)c(C)c1C ZINC000070675438 527566399 /nfs/dbraw/zinc/56/63/99/527566399.db2.gz IHVOUZNUAKSPLX-UHFFFAOYSA-N 0 0 202.257 2.503 50 0 BFAARN CC(C)CN1c2ccccc2[C@@H](C(N)=O)C[C@@H]1C ZINC000071811782 535146638 /nfs/dbraw/zinc/14/66/38/535146638.db2.gz VTGDSTLWPQUNJA-AAEUAGOBSA-N 0 0 246.354 2.510 50 0 BFAARN Cc1ccc([C@@H](O)c2ccccc2)c(N)c1 ZINC000075109564 537926434 /nfs/dbraw/zinc/92/64/34/537926434.db2.gz XZEKURUKOJMJLQ-AWEZNQCLSA-N 0 0 213.280 2.659 50 0 BFAARN CC[C@@H]1Oc2ccc(Br)cc2C1=O ZINC000113208617 588827119 /nfs/dbraw/zinc/82/71/19/588827119.db2.gz AZSKURUNNPHUPG-QMMMGPOBSA-N 0 0 241.084 2.803 50 0 BFAARN C[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F ZINC000169806244 583947536 /nfs/dbraw/zinc/94/75/36/583947536.db2.gz GABHTFORECKGBB-UHFFFAOYSA-N 0 0 240.247 2.927 50 0 BFAARN C=CC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000848979181 588422773 /nfs/dbraw/zinc/42/27/73/588422773.db2.gz OLEUHBCQDKULAA-AWEZNQCLSA-N 0 0 244.338 2.602 50 0 BFAARN C=CC(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000848979275 588423045 /nfs/dbraw/zinc/42/30/45/588423045.db2.gz SGOYEIXYBYKBBE-CQSZACIVSA-N 0 0 247.313 2.935 50 0 BFAARN C=CC(=O)N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000863971420 589330705 /nfs/dbraw/zinc/33/07/05/589330705.db2.gz SKQQKXQGFOEZQO-CQSZACIVSA-N 0 0 233.286 2.502 50 0 BFAARN CC(C)(C)n1cc(/C=C\c2nccs2)nn1 ZINC000864087633 589342371 /nfs/dbraw/zinc/34/23/71/589342371.db2.gz UGXFEGYNNYHLBL-PLNGDYQASA-N 0 0 234.328 2.660 50 0 BFAARN Cc1cc(C)n(-c2cccc(Cl)c2C=O)n1 ZINC000020079217 590070912 /nfs/dbraw/zinc/07/09/12/590070912.db2.gz KHRZAWZQYOTRJG-UHFFFAOYSA-N 0 0 234.686 2.955 50 0 BFAARN CCOC(=O)/C=C/c1cc(C)cc(C)c1 ZINC000126667764 590393842 /nfs/dbraw/zinc/39/38/42/590393842.db2.gz MNSGXDBFFXPWGW-AATRIKPKSA-N 0 0 204.269 2.880 50 0 BFAARN Oc1ccc(O)c(-c2c[nH]nc2-c2ccco2)c1 ZINC000886025295 592134489 /nfs/dbraw/zinc/13/44/89/592134489.db2.gz HSGBFLWYBMEBPN-UHFFFAOYSA-N 0 0 242.234 2.748 50 0 BFAARN CCc1cnc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)o1 ZINC000075768009 631275789 /nfs/dbraw/zinc/27/57/89/631275789.db2.gz AHCDERNGUXJEHD-TXEJJXNPSA-N 0 0 232.327 2.635 50 0 BFAARN Cc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000000032982 631288661 /nfs/dbraw/zinc/28/86/61/631288661.db2.gz RSZXSEGUKBAUIU-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN COc1ccc(-c2c[nH]nc2C(C)C)c(OC)n1 ZINC000426505764 635726368 /nfs/dbraw/zinc/72/63/68/635726368.db2.gz KUQRARDSSGOBAD-UHFFFAOYSA-N 0 0 247.298 2.612 50 0 BFAARN C=CC(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000888098118 635374511 /nfs/dbraw/zinc/37/45/11/635374511.db2.gz FAXWWRUOKILQNK-UHFFFAOYSA-N 0 0 205.232 2.828 50 0 BFAARN COc1ncccc1-c1nc(C)ncc1C(C)C ZINC000426544698 635725631 /nfs/dbraw/zinc/72/56/31/635725631.db2.gz IXHPHSUYSDVKQN-UHFFFAOYSA-N 0 0 243.310 2.979 50 0 BFAARN CN(C)c1nccnc1-c1ccc2[nH]ccc2c1 ZINC000067587398 636715291 /nfs/dbraw/zinc/71/52/91/636715291.db2.gz OSRNJJKFBVPJKG-UHFFFAOYSA-N 0 0 238.294 2.691 50 0 BFAARN C[C@H]1COc2ccc(C(F)(F)F)cc2N1 ZINC000062526486 641058388 /nfs/dbraw/zinc/05/83/88/641058388.db2.gz WABCIIFXOCZRCM-LURJTMIESA-N 0 0 217.190 2.898 50 0 BFAARN COc1ccc(-c2ccc(C)nc2)cc1C=O ZINC000062948332 641115951 /nfs/dbraw/zinc/11/59/51/641115951.db2.gz INMLQOUJGFSGFI-UHFFFAOYSA-N 0 0 227.263 2.878 50 0 BFAARN CCc1cc(-c2cncnc2)ccc1NC(C)=O ZINC000032533137 641352808 /nfs/dbraw/zinc/35/28/08/641352808.db2.gz XFADPSMUSRJWDX-UHFFFAOYSA-N 0 0 241.294 2.664 50 0 BFAARN Cc1cnc(-c2cccc3ncccc32)nc1N ZINC000032537280 641357887 /nfs/dbraw/zinc/35/78/87/641357887.db2.gz ATFHDZSPGHGDCB-UHFFFAOYSA-N 0 0 236.278 2.582 50 0 BFAARN Cc1onc(/C=C\c2ccc(F)cc2)c1N ZINC000048557737 641691927 /nfs/dbraw/zinc/69/19/27/641691927.db2.gz UZOUHPKSLLWSOZ-DAXSKMNVSA-N 0 0 218.231 2.875 50 0 BFAARN O=[N+]([O-])c1cnn(C/C=C\c2ccccc2)c1 ZINC000210645326 642376696 /nfs/dbraw/zinc/37/66/96/642376696.db2.gz VVYAXTAUAUBTED-DAXSKMNVSA-N 0 0 229.239 2.505 50 0 BFAARN CC1(C)C[C@@H](C(=O)NC2CCCCC2)CCO1 ZINC000000520799 642793010 /nfs/dbraw/zinc/79/30/10/642793010.db2.gz ATIGWZIUOICJKZ-NSHDSACASA-N 0 0 239.359 2.641 50 0 BFAARN Cc1noc(Cc2c(C)[nH]c3c2cccc3F)n1 ZINC000020782971 643064911 /nfs/dbraw/zinc/06/49/11/643064911.db2.gz YHOPFZRZMOWPOP-UHFFFAOYSA-N 0 0 245.257 2.898 50 0 BFAARN Nc1ncc(-c2cccc3ccsc32)cn1 ZINC000032507746 643420198 /nfs/dbraw/zinc/42/01/98/643420198.db2.gz YVPKKMDVPRMOBE-UHFFFAOYSA-N 0 0 227.292 2.941 50 0 BFAARN C[C@@H]1Oc2c(cc(Br)cc2F)C1=O ZINC000049850996 643486856 /nfs/dbraw/zinc/48/68/56/643486856.db2.gz JIVUCCWRHOXFKC-BYPYZUCNSA-N 0 0 245.047 2.552 50 0 BFAARN C=CC(=O)N1CCC[C@@H]1c1ccccc1OC ZINC000199100694 644153304 /nfs/dbraw/zinc/15/33/04/644153304.db2.gz HPQUGEYSDYDSRW-GFCCVEGCSA-N 0 0 231.295 2.545 50 0 BFAARN CCCCn1nc(C)nc1-c1n[nH]c(CC)c1C ZINC000952978831 644448426 /nfs/dbraw/zinc/44/84/26/644448426.db2.gz FQGKAIZRHJULIS-UHFFFAOYSA-N 0 0 247.346 2.648 50 0 BFAARN Cc1cc(F)cc(NC[C@H]2CCCCO2)n1 ZINC000952992356 644449257 /nfs/dbraw/zinc/44/92/57/644449257.db2.gz KPVJYOJLNRXDCY-LLVKDONJSA-N 0 0 224.279 2.510 50 0 BFAARN C/C=C/CS(=O)(=O)Cc1ccc(C)c(C)c1 ZINC000089597906 644558451 /nfs/dbraw/zinc/55/84/51/644558451.db2.gz OTLALAXZFYLXBK-SNAWJCMRSA-N 0 0 238.352 2.794 50 0 BFAARN Cc1ccc(/C=C/C(=O)N[C@@H](C)C(C)(C)C)cn1 ZINC000095465645 644751427 /nfs/dbraw/zinc/75/14/27/644751427.db2.gz ANVXMRKOYXXDQC-BCPZQOPPSA-N 0 0 246.354 2.954 50 0 BFAARN O=C1O[C@@H](c2ccccc2)C[C@@H]1C(F)(F)F ZINC000004266458 645862532 /nfs/dbraw/zinc/86/25/32/645862532.db2.gz VMFJOFAAYDXZBX-DTWKUNHWSA-N 0 0 230.185 2.853 50 0 BFAARN Cc1ccc(O[C@@H]2CCC[C@H]2O)cc1C ZINC000037695520 712741901 /nfs/dbraw/zinc/74/19/01/712741901.db2.gz SCDOZTYJHRZCLM-CHWSQXEVSA-N 0 0 206.285 2.596 50 0 BFAARN C[C@H]1CNc2ccc(C(F)(F)F)cc2O1 ZINC000147717019 711020519 /nfs/dbraw/zinc/02/05/19/711020519.db2.gz HWVJNARPWQAWGI-LURJTMIESA-N 0 0 217.190 2.898 50 0 BFAARN COc1ccc(OC)c(-c2ncccc2OC)c1 ZINC000146479777 711478651 /nfs/dbraw/zinc/47/86/51/711478651.db2.gz OQWBCSIHHGBAAY-UHFFFAOYSA-N 0 0 245.278 2.774 50 0 BFAARN C=CC(=O)N1CC(c2ccccc2)(C(C)C)C1 ZINC000863971293 711795845 /nfs/dbraw/zinc/79/58/45/711795845.db2.gz NKXNDWVAKLDJMA-UHFFFAOYSA-N 0 0 229.323 2.609 50 0 BFAARN COc1cncc(-c2cccc(NC(C)=O)c2)c1 ZINC000032534825 711843319 /nfs/dbraw/zinc/84/33/19/711843319.db2.gz GUYCMYJPOJJUTH-UHFFFAOYSA-N 0 0 242.278 2.716 50 0 BFAARN C=CC(=O)N[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000141055927 712372492 /nfs/dbraw/zinc/37/24/92/712372492.db2.gz LKPFVVUIGDXNNU-IJLUTSLNSA-N 0 0 207.317 2.648 50 0 BFAARN O[C@H]1CCCC[C@@H]1Oc1ccccc1F ZINC000037695371 712741717 /nfs/dbraw/zinc/74/17/17/712741717.db2.gz CIPUEWPVMVLTOV-JQWIXIFHSA-N 0 0 210.248 2.508 50 0 BFAARN Oc1ccc(/C=C/Br)c(F)c1 ZINC000685963998 968092018 /nfs/dbraw/zinc/09/20/18/968092018.db2.gz NGTYDTMECDSFCY-ONEGZZNKSA-N 0 0 217.037 2.897 50 0 BFAARN C=CC(=O)N[C@@H](CC(F)(F)F)C(C)(C)C ZINC000585122697 972151838 /nfs/dbraw/zinc/15/18/38/972151838.db2.gz HALDBOXAXAWBSO-ZETCQYMHSA-N 0 0 223.238 2.656 50 0 BFAARN CCc1c[nH]c(S[C@H](C)c2ncccn2)n1 ZINC000585133087 972170247 /nfs/dbraw/zinc/17/02/47/972170247.db2.gz SCPGEVRALCVGSF-MRVPVSSYSA-N 0 0 234.328 2.615 50 0 BFAARN Fc1cnc(O[C@H]2CCc3ccccc32)nc1 ZINC000585651082 961147602 /nfs/dbraw/zinc/14/76/02/961147602.db2.gz KALGQPGNPIOTAV-LBPRGKRZSA-N 0 0 230.242 2.682 50 0 BFAARN CCCOc1cncc(-c2cocn2)c1 ZINC000585120224 961859700 /nfs/dbraw/zinc/85/97/00/961859700.db2.gz AKXQTBBBLZPQHQ-UHFFFAOYSA-N 0 0 204.229 2.525 50 0 BFAARN CCCn1nccc1-c1nc(C)nn1C(C)(C)C ZINC000823033322 968537573 /nfs/dbraw/zinc/53/75/73/968537573.db2.gz RCAFYJXEPUHRPW-UHFFFAOYSA-N 0 0 247.346 2.615 50 0 BFAARN COC(C)(C)C(=O)NC1(c2cccc(C)c2)CC1 ZINC000824229361 968581154 /nfs/dbraw/zinc/58/11/54/968581154.db2.gz DWVCRYUJWRERRC-UHFFFAOYSA-N 0 0 247.338 2.525 50 0 BFAARN Cc1nc2c(c(Nc3ncccc3C)n1)CCC2 ZINC000825269040 968639570 /nfs/dbraw/zinc/63/95/70/968639570.db2.gz XYQSZXNBMFGWKA-UHFFFAOYSA-N 0 0 240.310 2.721 50 0 BFAARN Cc1ccc([C@@H](C)Nc2nc(C)cnc2C)cn1 ZINC000200550483 970122864 /nfs/dbraw/zinc/12/28/64/970122864.db2.gz PFCSMIXQHJSRHW-LLVKDONJSA-N 0 0 242.326 2.970 50 0 BFAARN Cc1ccc(N[C@H]2CC[C@H]2O)c(Cl)c1 ZINC000585298745 973912539 /nfs/dbraw/zinc/91/25/39/973912539.db2.gz CHQPLUREDGYDHH-WDEREUQCSA-N 0 0 211.692 2.584 50 0 BFAARN Cc1nc(OC2CCC2)cc(C(F)(F)F)n1 ZINC000585650517 973920851 /nfs/dbraw/zinc/92/08/51/973920851.db2.gz ARUVIWCYPXUMLX-UHFFFAOYSA-N 0 0 232.205 2.735 50 0 BFAARN c1ccc2oc(O[C@@H]3CCSC3)nc2c1 ZINC000585654620 973927520 /nfs/dbraw/zinc/92/75/20/973927520.db2.gz KBHFCSWOKNRCML-MRVPVSSYSA-N 0 0 221.281 2.712 50 0 BFAARN C=CC(=O)N1C[C@@H](C(C)C)c2ccccc21 ZINC000952884764 974062255 /nfs/dbraw/zinc/06/22/55/974062255.db2.gz NJRMWDVYVQEVNI-LBPRGKRZSA-N 0 0 215.296 2.959 50 0 BFAARN CCn1nc(CC(C)C)nc1-c1ccncc1C ZINC000952866541 974062869 /nfs/dbraw/zinc/06/28/69/974062869.db2.gz BMGKYAODJLJZPW-UHFFFAOYSA-N 0 0 244.342 2.867 50 0 BFAARN C=CC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000952888241 974065627 /nfs/dbraw/zinc/06/56/27/974065627.db2.gz PKWHJNNNWRYYJW-AAEUAGOBSA-N 0 0 215.296 2.577 50 0 BFAARN C=CC(=O)N1CCCC[C@H]1c1nc(C)cs1 ZINC000952888431 974066800 /nfs/dbraw/zinc/06/68/00/974066800.db2.gz ZGGCRWBOEVDSPI-JTQLQIEISA-N 0 0 236.340 2.691 50 0 BFAARN COc1ccc(N[C@H]2COC[C@@H]2C)cc1Cl ZINC000687996767 985451125 /nfs/dbraw/zinc/45/11/25/985451125.db2.gz KRPUYNMAUAYVBK-KWQFWETISA-N 0 0 241.718 2.795 50 0 BFAARN CC(=O)NC[C@H](c1ccsc1)c1ccco1 ZINC000669412065 987250894 /nfs/dbraw/zinc/25/08/94/987250894.db2.gz ALAKSSIBOVHITC-LLVKDONJSA-N 0 0 235.308 2.609 50 0 BFAARN C[C@H](O)c1ccc(F)cc1N1CCCCC1 ZINC000669369596 987254307 /nfs/dbraw/zinc/25/43/07/987254307.db2.gz BSPDWGQBTZBROG-JTQLQIEISA-N 0 0 223.291 2.869 50 0 BFAARN CC[C@H]1CN(c2ccc(Cl)c(C)n2)CCO1 ZINC001506400693 988768755 /nfs/dbraw/zinc/76/87/55/988768755.db2.gz KUISUOUNNRZZDD-JTQLQIEISA-N 0 0 240.734 2.659 50 0 BFAARN COc1ccc(-c2[nH]nc3ncccc32)cc1 ZINC001506400348 988771080 /nfs/dbraw/zinc/77/10/80/988771080.db2.gz CXCRQMOLZBNJJK-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN COc1cnc(-c2ccc([C@H](C)OC)cc2)nc1 ZINC001506414310 988778839 /nfs/dbraw/zinc/77/88/39/988778839.db2.gz OHAIAWARJNJKLG-JTQLQIEISA-N 0 0 244.294 2.860 50 0 BFAARN CCCn1nc(C)cc1NC(=O)[C@@H]1CC=CCC1 ZINC001506425346 988785163 /nfs/dbraw/zinc/78/51/63/988785163.db2.gz OGRXXRYLXGOESI-GFCCVEGCSA-N 0 0 247.342 2.896 50 0 BFAARN CCN(C)c1ccnc(NCc2ccsc2)n1 ZINC001529113758 990330387 /nfs/dbraw/zinc/33/03/87/990330387.db2.gz IJNHCHKLAFWGLN-UHFFFAOYSA-N 0 0 248.355 2.606 50 0 BFAARN CC[C@@H](Nc1nccc(N)n1)c1ccc(C)cc1 ZINC001529133760 990332335 /nfs/dbraw/zinc/33/23/35/990332335.db2.gz BGGOFSSLWLJTSJ-GFCCVEGCSA-N 0 0 242.326 2.930 50 0 BFAARN Cc1cnn(CC(C)C)c1NC(=O)[C@H]1CC12CC2 ZINC001529161427 990336210 /nfs/dbraw/zinc/33/62/10/990336210.db2.gz IZFFBXOXBRCZOD-LLVKDONJSA-N 0 0 247.342 2.586 50 0 BFAARN CCCCn1nc(C)cc1NC(=O)C(C)(C)C ZINC001529191337 990338540 /nfs/dbraw/zinc/33/85/40/990338540.db2.gz WXNIPCBJLXJSGR-UHFFFAOYSA-N 0 0 237.347 2.976 50 0 BFAARN Cc1cc(C)n(C(=O)COc2ccccc2C)n1 ZINC000000142703 177921432 /nfs/dbraw/zinc/92/14/32/177921432.db2.gz GJFWQXNVWWLNEL-UHFFFAOYSA-N 0 0 244.294 2.528 50 0 BFAARN CCCc1[nH]nc(N)c1-c1ccccc1 ZINC000006605357 349443662 /nfs/dbraw/zinc/44/36/62/349443662.db2.gz LBMJNLWKZONOKF-UHFFFAOYSA-N 0 0 201.273 2.611 50 0 BFAARN Cc1cc(C)nc(NC[C@@H](C)c2nccs2)n1 ZINC000230610305 177944498 /nfs/dbraw/zinc/94/44/98/177944498.db2.gz SLYLNCOHAFUDNV-MRVPVSSYSA-N 0 0 248.355 2.766 50 0 BFAARN O=S1(=O)CC23CCCCC2(C1)CCCC3 ZINC000043214658 262789972 /nfs/dbraw/zinc/78/99/72/262789972.db2.gz DZOPBPHUVJRIEY-UHFFFAOYSA-N 0 0 228.357 2.536 50 0 BFAARN Cc1cc(CNC(=O)Cc2cccs2)c(C)o1 ZINC000070640336 178012458 /nfs/dbraw/zinc/01/24/58/178012458.db2.gz SQWNPJSDWYLGIV-UHFFFAOYSA-N 0 0 249.335 2.817 50 0 BFAARN Cc1cc(CNC(=O)[C@@H]2CC=CCC2)c(C)o1 ZINC000074615942 178013830 /nfs/dbraw/zinc/01/38/30/178013830.db2.gz ZYRBQRVBICOSOC-GFCCVEGCSA-N 0 0 233.311 2.869 50 0 BFAARN Cc1cc(CNc2cc(C(C)C)nc(C)n2)[nH]n1 ZINC000065372982 178041579 /nfs/dbraw/zinc/04/15/79/178041579.db2.gz UNMLHMGECPGQOY-UHFFFAOYSA-N 0 0 245.330 2.552 50 0 BFAARN Cc1cc(CNc2nc3ccccc3o2)no1 ZINC000044416294 178044542 /nfs/dbraw/zinc/04/45/42/178044542.db2.gz LWAWUEANBNKVNO-UHFFFAOYSA-N 0 0 229.239 2.736 50 0 BFAARN Cc1cc(CO)c(F)cc1C(F)(F)F ZINC000091252064 178046163 /nfs/dbraw/zinc/04/61/63/178046163.db2.gz YSXVMRQKBSXFCF-UHFFFAOYSA-N 0 0 208.154 2.645 50 0 BFAARN COc1ccc([C@@H](C)NC(=O)C(C)(C)C)cc1 ZINC000072115605 398177606 /nfs/dbraw/zinc/17/76/06/398177606.db2.gz PDZFEDNHRSUAIX-SNVBAGLBSA-N 0 0 235.327 2.919 50 0 BFAARN Cc1cc(CSc2nnc(C(C)C)[nH]2)no1 ZINC000008944942 178053125 /nfs/dbraw/zinc/05/31/25/178053125.db2.gz ZGQAJNJFXVRSEN-UHFFFAOYSA-N 0 0 238.316 2.517 50 0 BFAARN Cc1nocc1CNc1cc(F)ccc1F ZINC000336383005 398165702 /nfs/dbraw/zinc/16/57/02/398165702.db2.gz MGMHCLYVFQDSAK-UHFFFAOYSA-N 0 0 224.210 2.873 50 0 BFAARN Cc1cc(F)ccc1CNc1ncccn1 ZINC000083348946 178086618 /nfs/dbraw/zinc/08/66/18/178086618.db2.gz NGTGMSMQRXPLLU-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN Cc1cc(F)ccc1CNc1cnccn1 ZINC000225569056 178087429 /nfs/dbraw/zinc/08/74/29/178087429.db2.gz GOCJJGGPRZRGGH-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN c1ccc(Cc2nc3n(n2)CCCCC3)cc1 ZINC000000970580 398191087 /nfs/dbraw/zinc/19/10/87/398191087.db2.gz CKVSJXAKZDANMA-UHFFFAOYSA-N 0 0 227.311 2.595 50 0 BFAARN Cc1cc(NC(=O)/C=C\c2ccco2)ccn1 ZINC000096405723 178123280 /nfs/dbraw/zinc/12/32/80/178123280.db2.gz JKLMVVBUGYLAPO-PLNGDYQASA-N 0 0 228.251 2.635 50 0 BFAARN O=C(/C=C\c1cccc(F)c1)Nc1nccs1 ZINC000033472575 398203211 /nfs/dbraw/zinc/20/32/11/398203211.db2.gz SHTMRQNUGGJOJF-PLNGDYQASA-N 0 0 248.282 2.934 50 0 BFAARN Cc1cc(NC(=O)NCc2ccccc2C)no1 ZINC000009256158 178140140 /nfs/dbraw/zinc/14/01/40/178140140.db2.gz PZFGOTXSDYURTD-UHFFFAOYSA-N 0 0 245.282 2.613 50 0 BFAARN Cc1cc(NC(=O)N[C@@H]2CCCC[C@@H]2C)no1 ZINC000009366089 178140759 /nfs/dbraw/zinc/14/07/59/178140759.db2.gz FRXVSEQDCJXPHV-WCBMZHEXSA-N 0 0 237.303 2.683 50 0 BFAARN Cc1cc(NC(=O)Oc2ccccc2)no1 ZINC000000214595 178143851 /nfs/dbraw/zinc/14/38/51/178143851.db2.gz AOXNEYUOJSRBSQ-UHFFFAOYSA-N 0 0 218.212 2.594 50 0 BFAARN Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2)no1 ZINC000000476765 178148783 /nfs/dbraw/zinc/14/87/83/178148783.db2.gz PSRQPFSQPUKINL-RYUDHWBXSA-N 0 0 242.278 2.725 50 0 BFAARN Cc1cc(NC(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000006412804 178150257 /nfs/dbraw/zinc/15/02/57/178150257.db2.gz ACTDADXKNKUNBP-UHFFFAOYSA-N 0 0 235.674 2.624 50 0 BFAARN CC(=S)SCC(=O)c1ccccc1 ZINC000239562576 187329879 /nfs/dbraw/zinc/32/98/79/187329879.db2.gz CWYCOFQCIZIHFL-UHFFFAOYSA-N 0 0 210.323 2.950 50 0 BFAARN C=C1c2cc(OC)ccc2NC(=O)N1CC ZINC000002296652 187330332 /nfs/dbraw/zinc/33/03/32/187330332.db2.gz ZNDQYUNOPFXNQZ-UHFFFAOYSA-N 0 0 218.256 2.533 50 0 BFAARN Cc1cc(=O)n(-c2ccc(F)c(Cl)c2)[nH]1 ZINC000100166293 178201406 /nfs/dbraw/zinc/20/14/06/178201406.db2.gz NRSPUGAZMDBULT-UHFFFAOYSA-N 0 0 226.638 2.679 50 0 BFAARN Fc1ccc(F)c(CNc2cccnc2)c1 ZINC000037228236 361757277 /nfs/dbraw/zinc/75/72/77/361757277.db2.gz OKQCCKMAASQZDO-UHFFFAOYSA-N 0 0 220.222 2.972 50 0 BFAARN Cc1ccc(CNc2nnc(C(C)(C)C)o2)nc1 ZINC000170594974 361769319 /nfs/dbraw/zinc/76/93/19/361769319.db2.gz FYQVIARFBSWFNN-UHFFFAOYSA-N 0 0 246.314 2.683 50 0 BFAARN Cc1cc(SCCO)ccc1Br ZINC000255189626 178217838 /nfs/dbraw/zinc/21/78/38/178217838.db2.gz RDVWEANZXZGMQV-UHFFFAOYSA-N 0 0 247.157 2.842 50 0 BFAARN CC(C)NC(=O)N1CCn2cccc2[C@H]1C(C)C ZINC000021051721 538933595 /nfs/dbraw/zinc/93/35/95/538933595.db2.gz LQJPHBCTEKHBAG-CYBMUJFWSA-N 0 0 249.358 2.619 50 0 BFAARN CC[C@@H](C)[C@H](C)Nc1ccc2c(c1)C(=O)NC2 ZINC000170592622 361762664 /nfs/dbraw/zinc/76/26/64/361762664.db2.gz YIQWXTNPQVPNDK-ZJUUUORDSA-N 0 0 232.327 2.777 50 0 BFAARN C[C@H](NC(=O)c1ccoc1)c1ccc(F)cc1 ZINC000021836045 538935031 /nfs/dbraw/zinc/93/50/31/538935031.db2.gz OGRSMZOHHUNVBQ-VIFPVBQESA-N 0 0 233.242 2.910 50 0 BFAARN C=COCCOC(=O)c1c(C)oc(C)c1C ZINC000097113117 398237131 /nfs/dbraw/zinc/23/71/31/398237131.db2.gz WZDOFFHTIZGHLK-UHFFFAOYSA-N 0 0 224.256 2.522 50 0 BFAARN Cc1cc2c(ncnc2NC[C@H]2CCCO2)s1 ZINC000002879567 178280633 /nfs/dbraw/zinc/28/06/33/178280633.db2.gz RSAHQKZTMHHQAK-SECBINFHSA-N 0 0 249.339 2.591 50 0 BFAARN Cc1cc2ncccc2nc1Br ZINC000036652415 178305256 /nfs/dbraw/zinc/30/52/56/178305256.db2.gz PYGUNFREGFFNIU-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C1CC1)N2 ZINC000002537054 178300493 /nfs/dbraw/zinc/30/04/93/178300493.db2.gz PQMGALGWECRSJB-BDAKNGLRSA-N 0 0 245.248 2.889 50 0 BFAARN Cc1cc2ncn(C(=O)C(F)(F)F)c2cc1C ZINC000000369113 178304833 /nfs/dbraw/zinc/30/48/33/178304833.db2.gz ZSKUZLKJORKIIQ-UHFFFAOYSA-N 0 0 242.200 2.856 50 0 BFAARN Cc1ccc(-c2cc(C(=O)NC3CC3)on2)cc1 ZINC000040513498 178318531 /nfs/dbraw/zinc/31/85/31/178318531.db2.gz BTDLREOQSVAMAZ-UHFFFAOYSA-N 0 0 242.278 2.542 50 0 BFAARN Cc1ccc(-c2cc3ncccn3n2)cc1 ZINC000263619775 178321268 /nfs/dbraw/zinc/32/12/68/178321268.db2.gz ZCVJUKYECAJYSC-UHFFFAOYSA-N 0 0 209.252 2.705 50 0 BFAARN Cc1nc(-c2ccc(C)cc2)sc1CCO ZINC000041261185 178332484 /nfs/dbraw/zinc/33/24/84/178332484.db2.gz VLRUORCQUFKZCT-UHFFFAOYSA-N 0 0 233.336 2.962 50 0 BFAARN Cc1ccc(-c2ncc(C=O)s2)cc1 ZINC000022864302 178338622 /nfs/dbraw/zinc/33/86/22/178338622.db2.gz RYJVUGRGDUNLMS-UHFFFAOYSA-N 0 0 203.266 2.931 50 0 BFAARN Cc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC000002481053 178343371 /nfs/dbraw/zinc/34/33/71/178343371.db2.gz NDCJFVXDFYVRNH-NSHDSACASA-N 0 0 230.267 2.897 50 0 BFAARN Cc1ccc(-n2cnc(Cl)c2C=O)cc1 ZINC000040150488 178347259 /nfs/dbraw/zinc/34/72/59/178347259.db2.gz VXGRWTCBSXEFLM-UHFFFAOYSA-N 0 0 220.659 2.647 50 0 BFAARN Cc1ccc(-n2ncc3c2ncnc3Cl)cc1 ZINC000011919804 178349318 /nfs/dbraw/zinc/34/93/18/178349318.db2.gz JJCDCMDVPYDUEU-UHFFFAOYSA-N 0 0 244.685 2.777 50 0 BFAARN Cc1ccc(-c2cnc(N)cn2)c2cccnc12 ZINC000065370570 178329067 /nfs/dbraw/zinc/32/90/67/178329067.db2.gz XTIHWFCLRIEIKU-UHFFFAOYSA-N 0 0 236.278 2.582 50 0 BFAARN Cc1ccc(-c2csc(C=O)n2)cc1 ZINC000003676329 178330242 /nfs/dbraw/zinc/33/02/42/178330242.db2.gz NIYYLXDRLQFYMS-UHFFFAOYSA-N 0 0 203.266 2.931 50 0 BFAARN Cc1ccc(/C=C/c2nc([C@@H]3CCOC3)no2)o1 ZINC000096462770 178355882 /nfs/dbraw/zinc/35/58/82/178355882.db2.gz GSBMOVKEWLMDIG-ORAHPGNNSA-N 0 0 246.266 2.645 50 0 BFAARN Cc1ccc(/C=C\C(=O)Nc2ccncc2)o1 ZINC000005932043 178357992 /nfs/dbraw/zinc/35/79/92/178357992.db2.gz KWRYENKPDGHCHL-PLNGDYQASA-N 0 0 228.251 2.635 50 0 BFAARN Cc1ccc(/N=c2/ssnc2Cl)nc1 ZINC000100475545 178360661 /nfs/dbraw/zinc/36/06/61/178360661.db2.gz LBEWEPZNDKOVBC-DHZHZOJOSA-N 0 0 243.744 2.794 50 0 BFAARN CCOc1cc(=O)oc2ccc(Cl)cc12 ZINC000000057801 343997824 /nfs/dbraw/zinc/99/78/24/343997824.db2.gz ZZAJTJPBNSSWHI-UHFFFAOYSA-N 0 0 224.643 2.845 50 0 BFAARN Cc1ccc(-n2nnn(C(F)F)c2=S)cc1 ZINC000000529801 178350401 /nfs/dbraw/zinc/35/04/01/178350401.db2.gz MRGNUYRFVLKXOA-UHFFFAOYSA-N 0 0 242.254 2.502 50 0 BFAARN Cc1ccc(/C=C/C2=NN(C)C(=O)CC2)cc1 ZINC000001387436 178354791 /nfs/dbraw/zinc/35/47/91/178354791.db2.gz SBXXXFVEPHLZBG-BQYQJAHWSA-N 0 0 228.295 2.616 50 0 BFAARN Cc1ccc(/C=C/C(=O)Nc2nccs2)o1 ZINC000003180321 178354912 /nfs/dbraw/zinc/35/49/12/178354912.db2.gz WXPPKRVWDCVHPH-SNAWJCMRSA-N 0 0 234.280 2.696 50 0 BFAARN Cc1ccc(C(=O)Cc2ccncc2)cc1 ZINC000053134114 178374724 /nfs/dbraw/zinc/37/47/24/178374724.db2.gz XUCKHEMSKSGZAI-UHFFFAOYSA-N 0 0 211.264 2.815 50 0 BFAARN Cc1ccc(C(=O)N(C)Cc2ccsc2)o1 ZINC000039981852 178379391 /nfs/dbraw/zinc/37/93/91/178379391.db2.gz QBTFQOSUUFMSFK-UHFFFAOYSA-N 0 0 235.308 2.922 50 0 BFAARN CCC(=O)Nc1ccnn1C1CCCCC1 ZINC000032969270 538951331 /nfs/dbraw/zinc/95/13/31/538951331.db2.gz XONAZDJNDICERG-UHFFFAOYSA-N 0 0 221.304 2.737 50 0 BFAARN Cc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000000127853 178384060 /nfs/dbraw/zinc/38/40/60/178384060.db2.gz XJSQXVFZPMZDCQ-UHFFFAOYSA-N 0 0 217.312 2.867 50 0 BFAARN Cc1ccc(C(=O)N2CCCC[C@@H]2C)o1 ZINC000040488468 178386251 /nfs/dbraw/zinc/38/62/51/178386251.db2.gz CECWPQWFFISUPB-VIFPVBQESA-N 0 0 207.273 2.603 50 0 BFAARN Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1 ZINC000000029226 178389041 /nfs/dbraw/zinc/38/90/41/178389041.db2.gz GKQYDTTVHXRDCO-LBPRGKRZSA-N 0 0 217.312 2.867 50 0 BFAARN Cc1ccc(C(=O)N2CCC[C@@H](C)C2)s1 ZINC000033023543 178387405 /nfs/dbraw/zinc/38/74/05/178387405.db2.gz YVNRFJVSYLPTBY-SECBINFHSA-N 0 0 223.341 2.929 50 0 BFAARN Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cn1 ZINC000089652185 178388608 /nfs/dbraw/zinc/38/86/08/178388608.db2.gz ACQBUCQOLVGCQZ-JSGCOSHPSA-N 0 0 244.338 2.795 50 0 BFAARN Cc1ccc(CN(C)C(=O)[C@H]2C[C@H]2C)c(C)c1 ZINC000032748066 538950496 /nfs/dbraw/zinc/95/04/96/538950496.db2.gz ARDGEESIKJTUTN-OCCSQVGLSA-N 0 0 231.339 2.918 50 0 BFAARN Cc1ccc(C(=O)CN2CCC[C@H](C)C2)cc1 ZINC000003306565 178373618 /nfs/dbraw/zinc/37/36/18/178373618.db2.gz CRZXEJPVYAEWNZ-ZDUSSCGKSA-N 0 0 231.339 2.910 50 0 BFAARN Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cn1 ZINC000089652184 178390852 /nfs/dbraw/zinc/39/08/52/178390852.db2.gz ACQBUCQOLVGCQZ-OCCSQVGLSA-N 0 0 244.338 2.795 50 0 BFAARN CCC(CC)NC(=O)Cc1ccccc1OC ZINC000000031690 168378068 /nfs/dbraw/zinc/37/80/68/168378068.db2.gz IASPSCLACALDQX-UHFFFAOYSA-N 0 0 235.327 2.543 50 0 BFAARN Cc1[nH]c2ccccc2c1[C@@H](O)c1ccccn1 ZINC000000071957 342672755 /nfs/dbraw/zinc/67/27/55/342672755.db2.gz FHXILHLUEFRUNP-HNNXBMFYSA-N 0 0 238.290 2.953 50 0 BFAARN Nc1ccc(Sc2ccccc2)nc1 ZINC000000078402 342673108 /nfs/dbraw/zinc/67/31/08/342673108.db2.gz UDPFENQZHIOLIT-UHFFFAOYSA-N 0 0 202.282 2.815 50 0 BFAARN Nc1cccnc1Oc1ccc(F)cc1 ZINC000000093341 342674201 /nfs/dbraw/zinc/67/42/01/342674201.db2.gz GMDOUPKGOUGJHO-UHFFFAOYSA-N 0 0 204.204 2.595 50 0 BFAARN Cc1ccc(NC(=O)c2ccncc2)c(C)c1 ZINC000000119445 342675363 /nfs/dbraw/zinc/67/53/63/342675363.db2.gz JJISKQWGDKMORH-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000000123105 342675742 /nfs/dbraw/zinc/67/57/42/342675742.db2.gz XGIDNOGYXJDQFW-UHFFFAOYSA-N 0 0 236.658 2.768 50 0 BFAARN Nc1ccc(-c2nc3ccccc3o2)c(O)c1 ZINC000000123059 342675792 /nfs/dbraw/zinc/67/57/92/342675792.db2.gz KUANTGJTSYDEOS-UHFFFAOYSA-N 0 0 226.235 2.783 50 0 biogenic BFAARN Cc1ccc(NC(=S)NC(=N)C(C)C)cc1 ZINC000000127411 342676066 /nfs/dbraw/zinc/67/60/66/342676066.db2.gz MBBBISPLVOCWND-UHFFFAOYSA-N 0 0 235.356 2.915 50 0 BFAARN Cc1cccc(NC2=NC[C@H](C)S2)c1 ZINC000000135002 342676424 /nfs/dbraw/zinc/67/64/24/342676424.db2.gz NBNOKMADYAZRNP-VIFPVBQESA-N 0 0 206.314 2.898 50 0 BFAARN Cc1ccc(CCNC(=O)NC(C)(C)C)cc1 ZINC000000137699 342676674 /nfs/dbraw/zinc/67/66/74/342676674.db2.gz LYLBWAJKHAOCLX-UHFFFAOYSA-N 0 0 234.343 2.635 50 0 BFAARN Cc1ccc(I)c(F)c1 ZINC000000160543 342678461 /nfs/dbraw/zinc/67/84/61/342678461.db2.gz XVHYSMVSLDIUCM-UHFFFAOYSA-N 0 0 236.027 2.739 50 0 BFAARN NNc1ccc(C(F)(F)F)cc1Cl ZINC000000165082 342678627 /nfs/dbraw/zinc/67/86/27/342678627.db2.gz KSESZRGARIEOFC-UHFFFAOYSA-N 0 0 210.586 2.644 50 0 BFAARN C[C@H](CO)Oc1ccc(Cl)cc1Cl ZINC000000166728 342678646 /nfs/dbraw/zinc/67/86/46/342678646.db2.gz LAZNUAGYLOVVPE-ZCFIWIBFSA-N 0 0 221.083 2.753 50 0 BFAARN CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000000165383 342678698 /nfs/dbraw/zinc/67/86/98/342678698.db2.gz UWTZSMKXSLXOLW-UHFFFAOYSA-N 0 0 241.294 2.708 50 0 BFAARN O=c1c(O)c(-c2ccccc2)[nH]c2ccccc21 ZINC000000169259 342679013 /nfs/dbraw/zinc/67/90/13/342679013.db2.gz CVNJPJCBBHOAGM-UHFFFAOYSA-N 0 0 237.258 2.901 50 0 BFAARN O=[S@](Cc1ccccc1)c1ccccc1 ZINC000000173124 342679248 /nfs/dbraw/zinc/67/92/48/342679248.db2.gz FBPGAWABXWMRAR-HNNXBMFYSA-N 0 0 216.305 2.994 50 0 BFAARN Nc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000000171334 342679294 /nfs/dbraw/zinc/67/92/94/342679294.db2.gz FEPBAGSLQYJRHA-UHFFFAOYSA-N 0 0 245.229 2.806 50 0 BFAARN O=S1(=O)c2ccccc2Oc2ccccc21 ZINC000000196926 342679790 /nfs/dbraw/zinc/67/97/90/342679790.db2.gz XJLRCPYQIPAQCA-UHFFFAOYSA-N 0 0 232.260 2.625 50 0 BFAARN CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000000201204 342679943 /nfs/dbraw/zinc/67/99/43/342679943.db2.gz DXLUUMMINGDWEA-UHFFFAOYSA-N 0 0 243.188 2.540 50 0 BFAARN Clc1ncnc2ncn(Cc3ccccc3)c21 ZINC000000272608 342681783 /nfs/dbraw/zinc/68/17/83/342681783.db2.gz QOJVQOWYMWBZNC-UHFFFAOYSA-N 0 0 244.685 2.528 50 0 in-vitro BFAARN CCOc1ccccc1NC(=O)C(F)(F)F ZINC000000282283 342682006 /nfs/dbraw/zinc/68/20/06/342682006.db2.gz ANJBAKJHPNPSQD-UHFFFAOYSA-N 0 0 233.189 2.586 50 0 BFAARN CCOc1cccc(C(=O)Nc2nccs2)c1 ZINC000000293814 342682385 /nfs/dbraw/zinc/68/23/85/342682385.db2.gz FSVDGFBFHIAZHT-UHFFFAOYSA-N 0 0 248.307 2.794 50 0 BFAARN CC(=O)CC(=O)Nc1c(C)cc(C)cc1C ZINC000000295811 342682498 /nfs/dbraw/zinc/68/24/98/342682498.db2.gz GVBDGMRNGLFNRS-UHFFFAOYSA-N 0 0 219.284 2.529 50 0 BFAARN CCN(CC)C(=S)Nc1ccc(F)cc1 ZINC000000315400 342683006 /nfs/dbraw/zinc/68/30/06/342683006.db2.gz FQBJWBWTUXYGIN-UHFFFAOYSA-N 0 0 226.320 2.864 50 0 BFAARN O=C(Oc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000000383787 342685675 /nfs/dbraw/zinc/68/56/75/342685675.db2.gz MHFVYYOVZWBGPY-UHFFFAOYSA-N 0 0 248.278 2.901 50 0 BFAARN C[C@H](O)c1ccc(Br)cc1 ZINC000000388277 342685910 /nfs/dbraw/zinc/68/59/10/342685910.db2.gz XTDTYSBVMBQIBT-LURJTMIESA-N 0 0 201.063 2.502 50 0 BFAARN COc1ccccc1NC(=O)Oc1cccnc1 ZINC000000395167 342686222 /nfs/dbraw/zinc/68/62/22/342686222.db2.gz QWOOHGHTNKPLSS-UHFFFAOYSA-N 0 0 244.250 2.701 50 0 BFAARN CCc1cc(NC(C)=O)ccc1Br ZINC000000398784 342686445 /nfs/dbraw/zinc/68/64/45/342686445.db2.gz XOESARZYJCTBMO-UHFFFAOYSA-N 0 0 242.116 2.970 50 0 BFAARN CC(C)c1ccc(OCc2nnc(N)s2)cc1 ZINC000000526148 342689429 /nfs/dbraw/zinc/68/94/29/342689429.db2.gz LBZPSEHVIARHAX-UHFFFAOYSA-N 0 0 249.339 2.823 50 0 BFAARN Cc1ccc(CC(=O)Nc2ccncc2)cc1 ZINC000000463587 342687960 /nfs/dbraw/zinc/68/79/60/342687960.db2.gz UGJNROSGGLULBP-UHFFFAOYSA-N 0 0 226.279 2.571 50 0 BFAARN CCCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000000467288 342688258 /nfs/dbraw/zinc/68/82/58/342688258.db2.gz JKCHAPLJTLRQCQ-UHFFFAOYSA-N 0 0 212.680 2.661 50 0 BFAARN O=C(Oc1ccc(F)cc1)N1CCCCC1 ZINC000000472711 342688287 /nfs/dbraw/zinc/68/82/87/342688287.db2.gz DXTPIMILZQNZKA-UHFFFAOYSA-N 0 0 223.247 2.810 50 0 BFAARN CCOc1ccc(C(=O)Nc2ccccn2)cc1 ZINC000000482849 342688594 /nfs/dbraw/zinc/68/85/94/342688594.db2.gz NVKWJNMYTIXOHP-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN CCOc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000000029962 342669930 /nfs/dbraw/zinc/66/99/30/342669930.db2.gz XJNLLSORCZJKTE-GFCCVEGCSA-N 0 0 247.338 2.957 50 0 BFAARN Nc1c(-c2ccccc2)nc2ccccn12 ZINC000000032671 342670287 /nfs/dbraw/zinc/67/02/87/342670287.db2.gz RJGJCHYNEWULMZ-UHFFFAOYSA-N 0 0 209.252 2.584 50 0 BFAARN Cc1sc(N)nc1-c1ccc(F)c(F)c1 ZINC000000036369 342670637 /nfs/dbraw/zinc/67/06/37/342670637.db2.gz UCSZOFSNFUSPSQ-UHFFFAOYSA-N 0 0 226.251 2.979 50 0 BFAARN Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1C ZINC000006730584 178421829 /nfs/dbraw/zinc/42/18/29/178421829.db2.gz PHPBKIILYPSVTQ-JSGCOSHPSA-N 0 0 247.338 2.601 50 0 BFAARN Cc1ccc(NC(=O)c2ccc(O)cc2)cc1 ZINC000000060258 342672062 /nfs/dbraw/zinc/67/20/62/342672062.db2.gz GMHDJSBGESVFMY-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN Nc1cccc(-c2cn3ccccc3n2)c1 ZINC000000072851 342672729 /nfs/dbraw/zinc/67/27/29/342672729.db2.gz NUVDPCZHQLYLPU-UHFFFAOYSA-N 0 0 209.252 2.584 50 0 BFAARN O=C(CCc1ccccc1)N1CCCCC1 ZINC000000580830 342690682 /nfs/dbraw/zinc/69/06/82/342690682.db2.gz HOJGUDWNFKNCPF-UHFFFAOYSA-N 0 0 217.312 2.632 50 0 BFAARN Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000000577456 342690726 /nfs/dbraw/zinc/69/07/26/342690726.db2.gz JSQMNGQWESPAOF-UHFFFAOYSA-N 0 0 209.252 2.608 50 0 BFAARN Cc1ccc(CC(=O)NCc2ccccc2)cc1 ZINC000000578081 342690762 /nfs/dbraw/zinc/69/07/62/342690762.db2.gz SYYNPURZAGTXQS-UHFFFAOYSA-N 0 0 239.318 2.854 50 0 BFAARN Cc1cc(C[NH2+][C@H]2CCC23CCCC3)on1 ZINC000189113356 346858939 /nfs/dbraw/zinc/85/89/39/346858939.db2.gz IWLDMABZMMNTPX-LBPRGKRZSA-N 0 0 220.316 2.795 50 0 BFAARN CC(C)(C)NC(=O)c1cc(-c2ccccc2)on1 ZINC000000815044 342693351 /nfs/dbraw/zinc/69/33/51/342693351.db2.gz SHTATOWDLKGYAM-UHFFFAOYSA-N 0 0 244.294 2.870 50 0 BFAARN COc1cc(/C=C/c2ccccc2)oc(=O)c1 ZINC000000899562 342694403 /nfs/dbraw/zinc/69/44/03/342694403.db2.gz DKKJNZYHGRUXBS-BQYQJAHWSA-N 0 0 228.247 2.819 50 0 endogenous,in-man BFAARN CC(=O)c1cnc(NCc2ccccc2)nc1C ZINC000002342990 342718836 /nfs/dbraw/zinc/71/88/36/342718836.db2.gz MGXMWSLZHFSKAX-UHFFFAOYSA-N 0 0 241.294 2.600 50 0 BFAARN C[C@H](NC(=O)Cc1cccs1)c1ccncc1 ZINC000001056652 342696401 /nfs/dbraw/zinc/69/64/01/342696401.db2.gz BFOBCGAWKRGVHO-JTQLQIEISA-N 0 0 246.335 2.563 50 0 BFAARN CC[C@@H](C(=O)Nc1ccon1)c1ccccc1 ZINC000001055646 342696421 /nfs/dbraw/zinc/69/64/21/342696421.db2.gz SZRQFFYFLMVKTJ-LLVKDONJSA-N 0 0 230.267 2.807 50 0 BFAARN Cc1occc1C(=O)NCc1ccccc1F ZINC000001055614 342696472 /nfs/dbraw/zinc/69/64/72/342696472.db2.gz LEXSMDWCVADUNA-UHFFFAOYSA-N 0 0 233.242 2.657 50 0 BFAARN CCCn1cnc2c1cc(C)c(C)c2N ZINC000001388538 342699718 /nfs/dbraw/zinc/69/97/18/342699718.db2.gz JPWQMXNHBYJVKR-UHFFFAOYSA-N 0 0 203.289 2.645 50 0 BFAARN CN(O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000001406307 342700128 /nfs/dbraw/zinc/70/01/28/342700128.db2.gz XTZKSJGASNPSNO-UHFFFAOYSA-N 0 0 235.070 2.846 50 0 BFAARN Cc1ccc(NC(=O)c2ccccc2O)cc1 ZINC000001440600 342701125 /nfs/dbraw/zinc/70/11/25/342701125.db2.gz QMLRNTPTRWMCOP-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN CC(C)CN(CC(C)C)C(=O)NC(C)C ZINC000071887817 342701157 /nfs/dbraw/zinc/70/11/57/342701157.db2.gz SRNGVXMAMJAYAW-UHFFFAOYSA-N 0 0 214.353 2.718 50 0 BFAARN O=C1C[C@H](c2ccccc2)N(c2ccccc2)N1 ZINC000001514961 342702126 /nfs/dbraw/zinc/70/21/26/342702126.db2.gz CBDMBBKKGFKNCA-CQSZACIVSA-N 0 0 238.290 2.669 50 0 BFAARN CN(C)Cc1ccccc1Br ZINC000001685248 342709076 /nfs/dbraw/zinc/70/90/76/342709076.db2.gz ZPZPSZZVDFMNQS-UHFFFAOYSA-N 0 0 214.106 2.511 50 0 BFAARN O=[N+]([O-])/C=C/c1ccccc1Br ZINC000001688696 342709302 /nfs/dbraw/zinc/70/93/02/342709302.db2.gz QKFDNZXJABSGIO-AATRIKPKSA-N 0 0 228.045 2.697 50 0 BFAARN O=C(c1ccco1)c1cccnc1Cl ZINC000002392759 342720040 /nfs/dbraw/zinc/72/00/40/342720040.db2.gz ZIACCNOEEZDAMR-UHFFFAOYSA-N 0 0 207.616 2.559 50 0 BFAARN O=C(OCCc1ccccc1)c1ccco1 ZINC000001697411 342709976 /nfs/dbraw/zinc/70/99/76/342709976.db2.gz QKPSYARWSBJEDY-UHFFFAOYSA-N 0 0 216.236 2.679 50 0 endogenous,in-man BFAARN Nc1ccccc1C(=O)c1ccccc1F ZINC000001995291 342714053 /nfs/dbraw/zinc/71/40/53/342714053.db2.gz NRAJMXHXQHCBHO-UHFFFAOYSA-N 0 0 215.227 2.639 50 0 BFAARN O=[N+]([O-])/C(Br)=C/c1ccccc1 ZINC000002029563 342714891 /nfs/dbraw/zinc/71/48/91/342714891.db2.gz SKDNDVDHYMEGNJ-SOFGYWHQSA-N 0 0 228.045 2.657 50 0 BFAARN CCS(=O)(=O)Oc1cccc2ccccc21 ZINC000002057796 342715548 /nfs/dbraw/zinc/71/55/48/342715548.db2.gz HWLRYEWWNVJBAZ-UHFFFAOYSA-N 0 0 236.292 2.568 50 0 BFAARN CC[C@@H](C(=O)NCC(C)C)c1ccccc1 ZINC000002057719 342715558 /nfs/dbraw/zinc/71/55/58/342715558.db2.gz CMNSWXNDTNZFDE-CYBMUJFWSA-N 0 0 219.328 2.952 50 0 BFAARN CCCCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000002057738 342715632 /nfs/dbraw/zinc/71/56/32/342715632.db2.gz FGUZNRRPWKFLCV-UHFFFAOYSA-N 0 0 249.310 2.992 50 0 BFAARN Clc1ncnc2c3cccnc3sc21 ZINC000002243777 342717461 /nfs/dbraw/zinc/71/74/61/342717461.db2.gz QCUXTBKFKCTJIQ-UHFFFAOYSA-N 0 0 221.672 2.893 50 0 BFAARN CCCCSc1nc2ccccc2c(=O)n1C ZINC000002262012 342717549 /nfs/dbraw/zinc/71/75/49/342717549.db2.gz QQSYMSHATXOLRJ-UHFFFAOYSA-N 0 0 248.351 2.826 50 0 BFAARN CCCCCC[C@H](C(=O)OC)c1ccno1 ZINC000004038340 342741401 /nfs/dbraw/zinc/74/14/01/342741401.db2.gz JAMJBCJOAAUFPR-JTQLQIEISA-N 0 0 225.288 2.902 50 0 BFAARN CCCCC(=O)Nc1nnc(SCC)s1 ZINC000004072011 342741775 /nfs/dbraw/zinc/74/17/75/342741775.db2.gz BTWDZYTUHIPKST-UHFFFAOYSA-N 0 0 245.373 2.779 50 0 BFAARN COc1ccc([C@@H](O)c2cccc(F)c2)cc1 ZINC000004255928 342745582 /nfs/dbraw/zinc/74/55/82/342745582.db2.gz HDWVVRSGQJYZPH-CQSZACIVSA-N 0 0 232.254 2.916 50 0 BFAARN CC(C)(C)OC(=O)NCc1cccc(C=O)c1 ZINC000004287778 342746020 /nfs/dbraw/zinc/74/60/20/342746020.db2.gz JORXNWZTJLYRQA-UHFFFAOYSA-N 0 0 235.283 2.524 50 0 BFAARN CC(C)CNC(=O)CCCc1ccccc1 ZINC000004550917 342749214 /nfs/dbraw/zinc/74/92/14/342749214.db2.gz ULEYXYSLGQRTRI-UHFFFAOYSA-N 0 0 219.328 2.782 50 0 BFAARN CC(C)(C)NC1=CC(=O)OC12CCCCC2 ZINC000002469631 342720874 /nfs/dbraw/zinc/72/08/74/342720874.db2.gz ZLJWIGGCGRLVIF-UHFFFAOYSA-N 0 0 223.316 2.518 50 0 BFAARN Nc1c(F)c(Cl)c(F)cc1Br ZINC000002516803 342722307 /nfs/dbraw/zinc/72/23/07/342722307.db2.gz WSZBCJHYBMSVAM-UHFFFAOYSA-N 0 0 242.450 2.963 50 0 BFAARN O=C1CC(c2ccc(Br)cc2)C1 ZINC000002525578 342722533 /nfs/dbraw/zinc/72/25/33/342722533.db2.gz FOQRHYVNXUDNKL-UHFFFAOYSA-N 0 0 225.085 2.896 50 0 BFAARN Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000002556419 342724132 /nfs/dbraw/zinc/72/41/32/342724132.db2.gz ZPKUUNGPBSRPRM-UHFFFAOYSA-N 0 0 211.570 2.821 50 0 BFAARN NNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000002564384 342724577 /nfs/dbraw/zinc/72/45/77/342724577.db2.gz FLBHSBYFKNVRDM-UHFFFAOYSA-N 0 0 227.189 2.539 50 0 BFAARN Nc1ccc2scnc2c1Br ZINC000002563955 342724582 /nfs/dbraw/zinc/72/45/82/342724582.db2.gz FBUUMRBJJQXVRE-UHFFFAOYSA-N 0 0 229.102 2.641 50 0 BFAARN Nc1nc(-c2cc(F)cc(F)c2)cs1 ZINC000002574040 342725059 /nfs/dbraw/zinc/72/50/59/342725059.db2.gz DJGBSHUJYGXFQN-UHFFFAOYSA-N 0 0 212.224 2.671 50 0 BFAARN CCOC(=O)[C@@H]1C[C@@H]1c1ccc(C)cc1 ZINC000002731912 342726757 /nfs/dbraw/zinc/72/67/57/342726757.db2.gz JWOBMCBGTXAJBG-VXGBXAGGSA-N 0 0 204.269 2.662 50 0 BFAARN O=C(c1cccc(F)c1)N1CCCCCC1 ZINC000002741872 342726790 /nfs/dbraw/zinc/72/67/90/342726790.db2.gz WXKIKIHQHWQYBW-UHFFFAOYSA-N 0 0 221.275 2.842 50 0 BFAARN CCOc1cc(C=O)c(Cl)cc1OC ZINC000002781892 342726993 /nfs/dbraw/zinc/72/69/93/342726993.db2.gz KNZCAGCZYDUJNP-UHFFFAOYSA-N 0 0 214.648 2.560 50 0 BFAARN Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)o1 ZINC000002772583 178432372 /nfs/dbraw/zinc/43/23/72/178432372.db2.gz TWUALTHVBQUTBA-KOLCDFICSA-N 0 0 221.300 2.897 50 0 BFAARN CC[C@H]1CC1(Br)Br ZINC000003051608 342730123 /nfs/dbraw/zinc/73/01/23/342730123.db2.gz QWHIOLSPEIYIOK-BYPYZUCNSA-N 0 0 227.927 2.902 50 0 BFAARN CCOc1ccccc1NC1=N[C@H](C)CS1 ZINC000003227235 342731662 /nfs/dbraw/zinc/73/16/62/342731662.db2.gz YEJAEBLVFZEWII-SECBINFHSA-N 0 0 236.340 2.989 50 0 BFAARN CC[C@@H]1S[C@H](C)C[C@H](OC(C)=O)[C@H]1C ZINC000584904241 342737944 /nfs/dbraw/zinc/73/79/44/342737944.db2.gz JWSCWDYIUHOXAJ-HZQMYPQZSA-N 0 0 216.346 2.858 50 0 BFAARN COC(=O)C1=C(C)O[C@@H](c2cccnc2)C(C)=C1 ZINC000000491011 346860455 /nfs/dbraw/zinc/86/04/55/346860455.db2.gz GWYGBBBOUWJXSQ-CYBMUJFWSA-N 0 0 245.278 2.546 50 0 biogenic BFAARN O=C(c1cccnc1)c1ccccc1Cl ZINC000004771102 342751909 /nfs/dbraw/zinc/75/19/09/342751909.db2.gz NPMCFDJRPUNFPJ-UHFFFAOYSA-N 0 0 217.655 2.966 50 0 BFAARN O=C1CCCc2cc3cccc(O)c3c(O)c21 ZINC000004804311 342752355 /nfs/dbraw/zinc/75/23/55/342752355.db2.gz IFADZYPDPVTFAT-UHFFFAOYSA-N 0 0 228.247 2.770 50 0 in-vitro BFAARN CCCCOc1c(C=O)cccc1OC ZINC000004825438 342752603 /nfs/dbraw/zinc/75/26/03/342752603.db2.gz KFSWONZYRSVJJQ-UHFFFAOYSA-N 0 0 208.257 2.687 50 0 BFAARN CO[C@]1(c2ccccc2)OC(=O)c2ccccc21 ZINC000004866401 342753619 /nfs/dbraw/zinc/75/36/19/342753619.db2.gz WWROZRYLEDOUCU-OAHLLOKOSA-N 0 0 240.258 2.705 50 0 BFAARN Nc1cc(N)c2c(c1)Oc1ccccc1CC2 ZINC000004941928 342754772 /nfs/dbraw/zinc/75/47/72/342754772.db2.gz ZTJHDISIKIUTBT-UHFFFAOYSA-N 0 0 226.279 2.742 50 0 BFAARN CC(C)c1ccc(CNc2nc[nH]n2)cc1 ZINC000005019532 342756609 /nfs/dbraw/zinc/75/66/09/342756609.db2.gz PNYRFDUUIJTFKC-UHFFFAOYSA-N 0 0 216.288 2.540 50 0 BFAARN COc1cc(C)nc2ccc(NC(C)=O)cc21 ZINC000005268732 342761224 /nfs/dbraw/zinc/76/12/24/342761224.db2.gz QEJJTUPQGGEUFD-UHFFFAOYSA-N 0 0 230.267 2.510 50 0 BFAARN CC[C@@H](C)NC(=O)COc1ccc(Cl)cc1 ZINC000005467654 342764456 /nfs/dbraw/zinc/76/44/56/342764456.db2.gz YRCHDGZHGAARGY-SECBINFHSA-N 0 0 241.718 2.634 50 0 BFAARN CCc1nc(SCc2ccccc2)n[nH]1 ZINC000005686703 342768447 /nfs/dbraw/zinc/76/84/47/342768447.db2.gz AJADTUDMQIKBRU-UHFFFAOYSA-N 0 0 219.313 2.659 50 0 BFAARN CN(Cc1ccsc1)C(=O)CC(F)(F)F ZINC000043072905 342773505 /nfs/dbraw/zinc/77/35/05/342773505.db2.gz UVQDPLJWSHQMCV-UHFFFAOYSA-N 0 0 237.246 2.659 50 0 BFAARN Cc1cc(NC(=O)c2ccc(C)cc2)no1 ZINC000000438787 178435417 /nfs/dbraw/zinc/43/54/17/178435417.db2.gz WXLKEGOUIRQNKM-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN CC(=O)Nc1cccc(NC(=O)C2CCCC2)c1 ZINC000006363478 342776984 /nfs/dbraw/zinc/77/69/84/342776984.db2.gz NPHXFVPCMUDBBQ-UHFFFAOYSA-N 0 0 246.310 2.774 50 0 BFAARN COC(=O)CCCOc1ccc(Cl)cc1 ZINC000002384750 342777165 /nfs/dbraw/zinc/77/71/65/342777165.db2.gz NKQYQRFVXNXTBS-UHFFFAOYSA-N 0 0 228.675 2.672 50 0 BFAARN CCc1cc(C(=O)N[C@H](C)c2ccccc2)no1 ZINC000008592832 342800790 /nfs/dbraw/zinc/80/07/90/342800790.db2.gz ZDSSQPIVZOYKNH-SNVBAGLBSA-N 0 0 244.294 2.728 50 0 BFAARN O=c1nc[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000008666451 342801623 /nfs/dbraw/zinc/80/16/23/342801623.db2.gz DARIIFLATJJEOB-UHFFFAOYSA-N 0 0 246.266 2.791 50 0 BFAARN COC[C@H](C)Oc1ccc(C(F)(F)F)cc1N ZINC000006678527 342780912 /nfs/dbraw/zinc/78/09/12/342780912.db2.gz GKQFQXHWSJXNQX-ZETCQYMHSA-N 0 0 249.232 2.701 50 0 BFAARN c1coc(-c2nc3n(n2)Cc2ccccc2-3)c1 ZINC000006760643 342782400 /nfs/dbraw/zinc/78/24/00/342782400.db2.gz CZJBZEMXENMQKJ-UHFFFAOYSA-N 0 0 223.235 2.567 50 0 BFAARN O=c1cc[nH]c2c1cccc2C(F)(F)F ZINC000008700922 342802835 /nfs/dbraw/zinc/80/28/35/342802835.db2.gz UDRWADJLLWWJOE-UHFFFAOYSA-N 0 0 213.158 2.547 50 0 BFAARN Fc1ccc(CNc2ccc(Cl)nn2)cc1 ZINC000006880586 342785343 /nfs/dbraw/zinc/78/53/43/342785343.db2.gz KSLVFCHUZQYJNF-UHFFFAOYSA-N 0 0 237.665 2.881 50 0 BFAARN S=c1nnc2c([nH]1)-c1cccc3cccc-2c13 ZINC000007000921 342787342 /nfs/dbraw/zinc/78/73/42/342787342.db2.gz YNQCVAHPQMRJIQ-UHFFFAOYSA-N 0 0 237.287 2.961 50 0 BFAARN COC(=O)COc1cc(C)ccc1C(C)C ZINC000000406189 342788273 /nfs/dbraw/zinc/78/82/73/342788273.db2.gz AVMGQPGGNIHIJB-UHFFFAOYSA-N 0 0 222.284 2.670 50 0 BFAARN CCCCCCNC(=O)c1ccoc1C ZINC000002745243 342793228 /nfs/dbraw/zinc/79/32/28/342793228.db2.gz QOEIEBCURIBXOQ-UHFFFAOYSA-N 0 0 209.289 2.898 50 0 BFAARN Cc1cnc(NC(=O)CC(C)(C)C)s1 ZINC000007800849 342793770 /nfs/dbraw/zinc/79/37/70/342793770.db2.gz SWFMRKCEQASHEH-UHFFFAOYSA-N 0 0 212.318 2.826 50 0 BFAARN Cc1c2ccccc2oc1C(=O)NC1CC1 ZINC000007952811 342795125 /nfs/dbraw/zinc/79/51/25/342795125.db2.gz NVXPTNFSVCNLBO-UHFFFAOYSA-N 0 0 215.252 2.633 50 0 BFAARN Cc1cc(Oc2ccccc2)nc(C)n1 ZINC000040490464 538971833 /nfs/dbraw/zinc/97/18/33/538971833.db2.gz LIQRGQFLKPVUEF-UHFFFAOYSA-N 0 0 200.241 2.886 50 0 BFAARN Cc1ccc(C(=O)c2c(F)cccc2F)cn1 ZINC000045029094 178445952 /nfs/dbraw/zinc/44/59/52/178445952.db2.gz QRIRZTYPPLCOQJ-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Nc1cc(-c2cccc(C(F)(F)F)c2)no1 ZINC000008729874 342803706 /nfs/dbraw/zinc/80/37/06/342803706.db2.gz RSEUZDISEUUYML-UHFFFAOYSA-N 0 0 228.173 2.943 50 0 BFAARN Cc1ccc([C@@H]2Cc3n[nH]cc3C(=O)C2)cc1 ZINC000008738502 342803907 /nfs/dbraw/zinc/80/39/07/342803907.db2.gz YPSMBCQMEWWUON-LLVKDONJSA-N 0 0 226.279 2.631 50 0 BFAARN CCC(CC)Nc1ccc2c(c1)C(=O)NC2 ZINC000134498516 168394122 /nfs/dbraw/zinc/39/41/22/168394122.db2.gz DHAPTBBJBGNJBJ-UHFFFAOYSA-N 0 0 218.300 2.531 50 0 BFAARN Nc1ccccc1/N=c1\ssnc1Cl ZINC000012375622 342850513 /nfs/dbraw/zinc/85/05/13/342850513.db2.gz QPIGZOLUJQKPPR-FLIBITNWSA-N 0 0 243.744 2.673 50 0 BFAARN CC(C)[C@](O)(c1ccccc1)c1ccncc1 ZINC000012653762 342855984 /nfs/dbraw/zinc/85/59/84/342855984.db2.gz UGHCUUQCWWWPCE-HNNXBMFYSA-N 0 0 227.307 2.974 50 0 BFAARN CCSc1ccc(-c2cnc(N)cn2)cc1 ZINC000032580925 342853245 /nfs/dbraw/zinc/85/32/45/342853245.db2.gz HCJGOSOHSCECDY-UHFFFAOYSA-N 0 0 231.324 2.838 50 0 BFAARN Cc1ccc2cc(-c3cn[nH]c3)ccc2n1 ZINC000032590363 342854203 /nfs/dbraw/zinc/85/42/03/342854203.db2.gz JSKDKRRLFWLNOT-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN Fc1ccc(-n2ncc3c2nc[nH]c3=S)cc1 ZINC000012583006 342855003 /nfs/dbraw/zinc/85/50/03/342855003.db2.gz CUQSGIOVKIRVCF-UHFFFAOYSA-N 0 0 246.270 2.617 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)Nc1ccccc1N1CCCC1 ZINC000032678858 342861079 /nfs/dbraw/zinc/86/10/79/342861079.db2.gz MHRBMOUCOGEZLR-VXGBXAGGSA-N 0 0 244.338 2.881 50 0 BFAARN Cc1cnc(NC(=O)c2ccoc2C)s1 ZINC000012937370 342861728 /nfs/dbraw/zinc/86/17/28/342861728.db2.gz UICYLOONCZBULH-UHFFFAOYSA-N 0 0 222.269 2.605 50 0 BFAARN CCCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000032819482 342879130 /nfs/dbraw/zinc/87/91/30/342879130.db2.gz BYTNUEPPTXRSTN-NEPJUHHUSA-N 0 0 209.333 2.968 50 0 BFAARN COc1c(C)cccc1C(=O)Nc1cccnc1 ZINC000014257980 342878715 /nfs/dbraw/zinc/87/87/15/342878715.db2.gz JKRVNVRYDNVCAE-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN Cc1cc(C)cc(NC(=S)N(C)C)c1 ZINC000013659031 342869511 /nfs/dbraw/zinc/86/95/11/342869511.db2.gz ZQHOOYWKZDNJLS-UHFFFAOYSA-N 0 0 208.330 2.562 50 0 BFAARN O=C(c1ccccn1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000032819471 342879146 /nfs/dbraw/zinc/87/91/46/342879146.db2.gz XFQBZGGPDQQECT-JSGCOSHPSA-N 0 0 244.338 2.876 50 0 BFAARN CC(N=Nc1ccccn1)c1cccs1 ZINC000254349984 398308722 /nfs/dbraw/zinc/30/87/22/398308722.db2.gz IQIODOIMEBNHJN-UHFFFAOYSA-N 0 0 217.297 2.979 50 0 BFAARN CCOc1ccc(NC(=O)C(C)C)cc1OC ZINC000013985520 342875025 /nfs/dbraw/zinc/87/50/25/342875025.db2.gz KVJMIXOOVYWQOU-UHFFFAOYSA-N 0 0 237.299 2.688 50 0 BFAARN Fc1cccc(-c2nc(-c3cccnc3)no2)c1 ZINC000004513142 342877845 /nfs/dbraw/zinc/87/78/45/342877845.db2.gz SQVWLKBGCYVLLN-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN O=C(c1cccnc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000032819488 342879068 /nfs/dbraw/zinc/87/90/68/342879068.db2.gz CGAJISHBFSDDEQ-TZMCWYRMSA-N 0 0 244.338 2.876 50 0 BFAARN CCSc1nnc(C)n1-c1ccccc1C ZINC000004358684 342856686 /nfs/dbraw/zinc/85/66/86/342856686.db2.gz DFMLJLUADJBOFB-UHFFFAOYSA-N 0 0 233.340 2.996 50 0 BFAARN CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000012818679 342858639 /nfs/dbraw/zinc/85/86/39/342858639.db2.gz NRRAKXVAAJXKGZ-UHFFFAOYSA-N 0 0 233.267 2.687 50 0 BFAARN CN1C(=O)c2ccccc2N[C@H]1c1ccsc1 ZINC000015249453 342893833 /nfs/dbraw/zinc/89/38/33/342893833.db2.gz JVHNITJWJCMVAY-GFCCVEGCSA-N 0 0 244.319 2.944 50 0 BFAARN O=c1cc(C(F)(F)F)c2ccccc2[nH]1 ZINC000015440422 342896250 /nfs/dbraw/zinc/89/62/50/342896250.db2.gz UUROBWTVZZNDFD-UHFFFAOYSA-N 0 0 213.158 2.547 50 0 BFAARN O=C(c1nccs1)c1ccc(F)cc1 ZINC000015441688 342896387 /nfs/dbraw/zinc/89/63/87/342896387.db2.gz WAEFXOHGIZBYGZ-UHFFFAOYSA-N 0 0 207.229 2.513 50 0 BFAARN Cc1cc(Cl)ccc1NC(=O)c1cnn(C)c1 ZINC000015513864 342897257 /nfs/dbraw/zinc/89/72/57/342897257.db2.gz MTCBCNPCWMOWAH-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN CC(C)C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000032903891 342899059 /nfs/dbraw/zinc/89/90/59/342899059.db2.gz WVRYGEVLVWAFDK-VXGBXAGGSA-N 0 0 209.333 2.824 50 0 BFAARN CC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000014397114 342879996 /nfs/dbraw/zinc/87/99/96/342879996.db2.gz XJWYOJRJIJAQQF-VXGBXAGGSA-N 0 0 235.327 2.677 50 0 BFAARN O=C1CCc2c1ccc(Br)c2F ZINC000146243984 398312315 /nfs/dbraw/zinc/31/23/15/398312315.db2.gz CILPXFZGSHPJOA-UHFFFAOYSA-N 0 0 229.048 2.717 50 0 BFAARN Clc1ccc2[nH]nc(Br)c2c1 ZINC000014983416 342890190 /nfs/dbraw/zinc/89/01/90/342890190.db2.gz IYZOMWYZWTZTEQ-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN CC(=O)c1cccc(Br)c1F ZINC000014989321 342890454 /nfs/dbraw/zinc/89/04/54/342890454.db2.gz GSLFYQYBXIVNLS-UHFFFAOYSA-N 0 0 217.037 2.791 50 0 BFAARN Cc1cc(C=O)cc(OC(F)(F)F)c1 ZINC000016158951 342907215 /nfs/dbraw/zinc/90/72/15/342907215.db2.gz LAGVGNCAIJDRHK-UHFFFAOYSA-N 0 0 204.147 2.706 50 0 BFAARN CCc1cc(C(=O)Nc2cccnc2)cs1 ZINC000016606080 342913658 /nfs/dbraw/zinc/91/36/58/342913658.db2.gz NTULSFNRTNSZPE-UHFFFAOYSA-N 0 0 232.308 2.958 50 0 BFAARN CCc1c(C)scc1C(=O)N1CCCC1 ZINC000016605338 342913188 /nfs/dbraw/zinc/91/31/88/342913188.db2.gz CMUDKAMOMGAZQL-UHFFFAOYSA-N 0 0 223.341 2.855 50 0 BFAARN CCc1cccc(NC(=O)c2ccccn2)c1 ZINC000003455882 398323566 /nfs/dbraw/zinc/32/35/66/398323566.db2.gz MUTTXTOUYVCDCX-UHFFFAOYSA-N 0 0 226.279 2.896 50 0 BFAARN CC(C)CC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000032908859 342903284 /nfs/dbraw/zinc/90/32/84/342903284.db2.gz VNYOJEFOEJUVEF-AWEZNQCLSA-N 0 0 247.338 2.633 50 0 BFAARN Cn1c(=S)[nH]nc1[C@H]1C[C@H]1c1ccccc1 ZINC000015933420 342903417 /nfs/dbraw/zinc/90/34/17/342903417.db2.gz DHIIASXOBAVUMS-UWVGGRQHSA-N 0 0 231.324 2.749 50 0 BFAARN O=C(c1ccc2[nH]cnc2c1)N1CCCCCC1 ZINC000017321060 342923469 /nfs/dbraw/zinc/92/34/69/342923469.db2.gz UGXJNRDJOSGFJD-UHFFFAOYSA-N 0 0 243.310 2.579 50 0 BFAARN CCCc1cc(=O)oc2cc(OC)c(OC)cc12 ZINC000005672035 346874952 /nfs/dbraw/zinc/87/49/52/346874952.db2.gz FEAJJVFSQSQYKE-UHFFFAOYSA-N 0 0 248.278 2.763 50 0 BFAARN COC(=O)c1oc2ccc(C)cc2c1C ZINC000016737400 342915083 /nfs/dbraw/zinc/91/50/83/342915083.db2.gz CBRBQHZHOYCFFR-UHFFFAOYSA-N 0 0 204.225 2.836 50 0 BFAARN CC(=O)c1ccc(NC(=O)Nc2ccon2)cc1 ZINC000016972968 342918418 /nfs/dbraw/zinc/91/84/18/342918418.db2.gz YNDNQBXBUGDXLO-UHFFFAOYSA-N 0 0 245.238 2.521 50 0 BFAARN c1ccc2c(c1)nc1nc(-c3ccncc3)ccn21 ZINC000031817881 398327570 /nfs/dbraw/zinc/32/75/70/398327570.db2.gz SYMVRNAHSAWMOX-UHFFFAOYSA-N 0 0 246.273 2.945 50 0 BFAARN Cc1ccc(C(=O)Nc2ccccc2)cn1 ZINC000013015437 398328490 /nfs/dbraw/zinc/32/84/90/398328490.db2.gz DKFVBHUIGYTGPJ-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN Cc1ccc(C)c(NC(=O)c2cnc(C)cn2)c1 ZINC000013017197 398328525 /nfs/dbraw/zinc/32/85/25/398328525.db2.gz POAXCEIPLPNMJG-UHFFFAOYSA-N 0 0 241.294 2.654 50 0 BFAARN O=C(CCc1ccccc1)OCC(F)(F)F ZINC000123108688 398337982 /nfs/dbraw/zinc/33/79/82/398337982.db2.gz APDSSBSNPWIOQN-UHFFFAOYSA-N 0 0 232.201 2.725 50 0 BFAARN Clc1c[nH]c2nccc(Br)c12 ZINC000019046177 342940931 /nfs/dbraw/zinc/94/09/31/342940931.db2.gz NTAZESWKVUMQKW-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN CCSCC[C@H](C)NC(=O)N1CC[C@@H](C)C1 ZINC000084812076 398344224 /nfs/dbraw/zinc/34/42/24/398344224.db2.gz KTNAGOSFCMDXCH-MNOVXSKESA-N 0 0 244.404 2.570 50 0 BFAARN Nc1cc(Br)ccc1N1CCCC1 ZINC000019480508 342949618 /nfs/dbraw/zinc/94/96/18/342949618.db2.gz UQOMCTRPJFFHBA-UHFFFAOYSA-N 0 0 241.132 2.632 50 0 BFAARN Nc1cnc(-c2ccc(Cl)c(F)c2)cn1 ZINC000019638173 342952885 /nfs/dbraw/zinc/95/28/85/342952885.db2.gz YMJKPCNFVPTQOD-UHFFFAOYSA-N 0 0 223.638 2.518 50 0 BFAARN Cc1ccccc1NC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000018101966 187206256 /nfs/dbraw/zinc/20/62/56/187206256.db2.gz GQXRSWYTAIVGBK-TXEJJXNPSA-N 0 0 248.326 2.636 50 0 BFAARN Cc1c(N)cccc1NC(=O)c1ccccc1 ZINC000019736261 342955300 /nfs/dbraw/zinc/95/53/00/342955300.db2.gz UPBIVMVNDOALIE-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN CC[C@@H](C)Nc1cc(OC)cc(OC)c1 ZINC000019909730 342962745 /nfs/dbraw/zinc/96/27/45/342962745.db2.gz YCLHCNPMUGUYOS-SECBINFHSA-N 0 0 209.289 2.914 50 0 BFAARN Cc1ccnc(NC(=O)c2ccc(C)c(N)c2)c1 ZINC000019844071 342959550 /nfs/dbraw/zinc/95/95/50/342959550.db2.gz RQLCXQAZTZTJSM-UHFFFAOYSA-N 0 0 241.294 2.533 50 0 BFAARN Cc1ccc(C)c(N(C(=O)[C@H]2CCO2)C(C)C)c1 ZINC000095444490 178478647 /nfs/dbraw/zinc/47/86/47/178478647.db2.gz BESZZBPSCUKVMS-CQSZACIVSA-N 0 0 247.338 2.834 50 0 BFAARN Cc1nc(N)sc1Cc1ccccc1F ZINC000020380927 342984434 /nfs/dbraw/zinc/98/44/34/342984434.db2.gz ZECCDWBVTVXBLH-UHFFFAOYSA-N 0 0 222.288 2.764 50 0 BFAARN Cc1coc2c1c(C)cc1o/c(=N\N)cc(C)c21 ZINC000020426519 342984593 /nfs/dbraw/zinc/98/45/93/342984593.db2.gz JVFKTUUVGQYKSV-WJDWOHSUSA-N 0 0 242.278 2.879 50 0 BFAARN COc1ccc([C@@H](C)Nc2cnn(C)c2)cc1C ZINC000157331221 344021867 /nfs/dbraw/zinc/02/18/67/344021867.db2.gz KLMMTWPUBHDROS-LLVKDONJSA-N 0 0 245.326 2.910 50 0 BFAARN CC(C)c1nnc(SCC(=O)C(C)(C)C)[nH]1 ZINC000021113212 343003282 /nfs/dbraw/zinc/00/32/82/343003282.db2.gz HEFOBZISWAXMSN-UHFFFAOYSA-N 0 0 241.360 2.635 50 0 BFAARN Cc1c(C)n(-c2cccc(C)n2)c(C)c1C=O ZINC000022122416 343040365 /nfs/dbraw/zinc/04/03/65/343040365.db2.gz YBJFQRAXVZAZCK-UHFFFAOYSA-N 0 0 228.295 2.918 50 0 BFAARN CC[C@@H](O)c1cccc(Br)c1 ZINC000021952865 343029596 /nfs/dbraw/zinc/02/95/96/343029596.db2.gz NFRBOGHEHVPWKF-SECBINFHSA-N 0 0 215.090 2.893 50 0 BFAARN COc1ccc(OCc2ccccc2)c(N)c1 ZINC000021954078 343029872 /nfs/dbraw/zinc/02/98/72/343029872.db2.gz BFJKHBVIUYYKHF-UHFFFAOYSA-N 0 0 229.279 2.856 50 0 BFAARN Nc1c(Cl)cc(Br)nc1Cl ZINC000021981794 343031488 /nfs/dbraw/zinc/03/14/88/343031488.db2.gz MNMVXSHYBWKOIG-UHFFFAOYSA-N 0 0 241.903 2.733 50 0 BFAARN Cc1ccsc1C(=O)NC(C1CC1)C1CC1 ZINC000023012820 343057759 /nfs/dbraw/zinc/05/77/59/343057759.db2.gz LQXFUVVILCWGKN-UHFFFAOYSA-N 0 0 235.352 2.975 50 0 BFAARN Cc1c2c(nc3cc4c(cc31)OCO4)CCC2 ZINC000024513179 343073248 /nfs/dbraw/zinc/07/32/48/343073248.db2.gz VPFOXYSAQWJJRC-UHFFFAOYSA-N 0 0 227.263 2.761 50 0 BFAARN CCN(C(=O)C1CCC1)c1ccc(F)cc1 ZINC000032738372 343072863 /nfs/dbraw/zinc/07/28/63/343072863.db2.gz RZZBYNXAEXTTPM-UHFFFAOYSA-N 0 0 221.275 2.979 50 0 BFAARN CSCc1nnc(Cc2ccccc2C)o1 ZINC000157874285 323034018 /nfs/dbraw/zinc/03/40/18/323034018.db2.gz JPKLEAHYWRBWGG-UHFFFAOYSA-N 0 0 234.324 2.832 50 0 BFAARN Fc1ccc(-c2cc(Cl)ncn2)cc1 ZINC000026420718 343104724 /nfs/dbraw/zinc/10/47/24/343104724.db2.gz KYBYBOZNMFRRSF-UHFFFAOYSA-N 0 0 208.623 2.936 50 0 BFAARN Cc1ccc(C)c(S[C@@H](C)C(=O)N(C)C)c1 ZINC000069349328 178492784 /nfs/dbraw/zinc/49/27/84/178492784.db2.gz RNTUEFKHNRHOLM-NSHDSACASA-N 0 0 237.368 2.872 50 0 BFAARN COc1c(C)ccc(NC(=O)C2CC2)c1C ZINC000032817296 343095098 /nfs/dbraw/zinc/09/50/98/343095098.db2.gz ISULNZPMHGXWCN-UHFFFAOYSA-N 0 0 219.284 2.661 50 0 BFAARN Cc1ccsc1CNC(=O)c1ccoc1C ZINC000025718310 343095139 /nfs/dbraw/zinc/09/51/39/343095139.db2.gz ZNVMODURTXIJIC-UHFFFAOYSA-N 0 0 235.308 2.888 50 0 BFAARN CC1(C)C[C@]23C(=O)CCC(=O)[C@]2(C)CC[C@H]13 ZINC000254352244 187234032 /nfs/dbraw/zinc/23/40/32/187234032.db2.gz PLFWLYJWPAOEIB-IIMNLJJBSA-N 0 0 220.312 2.751 50 0 BFAARN CCOc1ccc([C@@H](C)NC(=O)OC)cc1 ZINC000013329284 362101998 /nfs/dbraw/zinc/10/19/98/362101998.db2.gz MWBUXXDVDRQLRY-SECBINFHSA-N 0 0 223.272 2.502 50 0 BFAARN Cc1ccsc1C(=O)NCc1ccco1 ZINC000028466884 343129642 /nfs/dbraw/zinc/12/96/42/343129642.db2.gz OOJKQCJHBLSUIT-UHFFFAOYSA-N 0 0 221.281 2.580 50 0 BFAARN Cc1ccsc1C(=O)N[C@H](C)c1ccccn1 ZINC000028781064 343132515 /nfs/dbraw/zinc/13/25/15/343132515.db2.gz UZCXNRWITWXARA-SNVBAGLBSA-N 0 0 246.335 2.943 50 0 BFAARN CCCCN(C)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000028993061 343135387 /nfs/dbraw/zinc/13/53/87/343135387.db2.gz HDWOZZMIEXTVTQ-UHFFFAOYSA-N 0 0 247.298 2.542 50 0 BFAARN COc1cccc(Nc2ccccc2C(N)=O)c1 ZINC000072290586 343155158 /nfs/dbraw/zinc/15/51/58/343155158.db2.gz WKQXLVKUXDROBK-UHFFFAOYSA-N 0 0 242.278 2.538 50 0 BFAARN C/C=C/C=C\C(=O)N(C)c1ccccc1 ZINC000017380364 187243503 /nfs/dbraw/zinc/24/35/03/187243503.db2.gz GKONHAANAMPQJK-TZOXPPMKSA-N 0 0 201.269 2.782 50 0 BFAARN CC(C)(C)Cc1nc(-c2ccccn2)no1 ZINC000000199385 187244524 /nfs/dbraw/zinc/24/45/24/187244524.db2.gz IGMKAIXLJHWGTI-UHFFFAOYSA-N 0 0 217.272 2.720 50 0 BFAARN CCn1ccc(C(=O)Nc2cc(F)ccc2C)n1 ZINC000006698658 187249005 /nfs/dbraw/zinc/24/90/05/187249005.db2.gz LISGXVUAHGTCSW-UHFFFAOYSA-N 0 0 247.273 2.603 50 0 BFAARN COc1ccc(Cl)cc1NC(=O)NC(C)C ZINC000006699628 187249010 /nfs/dbraw/zinc/24/90/10/187249010.db2.gz XRURMEWOHDCHFZ-UHFFFAOYSA-N 0 0 242.706 2.879 50 0 BFAARN Cc1ccc(CONC(=O)c2ccccc2)cc1 ZINC000003249718 187246321 /nfs/dbraw/zinc/24/63/21/187246321.db2.gz AQSPHXTXBCUXRV-UHFFFAOYSA-N 0 0 241.290 2.857 50 0 BFAARN Fc1cc(Br)cnc1Cl ZINC000002524878 187246405 /nfs/dbraw/zinc/24/64/05/187246405.db2.gz OEKXUEWGXWCENG-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN Nc1cc(-c2ccc3c(c2)CCCC3)[nH]n1 ZINC000004234705 187247135 /nfs/dbraw/zinc/24/71/35/187247135.db2.gz AVQRFHNHZSETSK-UHFFFAOYSA-N 0 0 213.284 2.538 50 0 BFAARN COC(=O)Cn1c2ccccc2c2c1CCCC2 ZINC000030834294 343208634 /nfs/dbraw/zinc/20/86/34/343208634.db2.gz DAGYHNIBRQRGMP-UHFFFAOYSA-N 0 0 243.306 2.693 50 0 BFAARN CC[C@H](Oc1ccccc1C)C(=O)N1CCCC1 ZINC000030869645 343210966 /nfs/dbraw/zinc/21/09/66/343210966.db2.gz CCXMELOHLGKHFT-ZDUSSCGKSA-N 0 0 247.338 2.775 50 0 BFAARN CC(=O)c1c(C)onc1-c1ccccc1 ZINC000000123976 187244580 /nfs/dbraw/zinc/24/45/80/187244580.db2.gz LWPHDEBMXBDBBO-UHFFFAOYSA-N 0 0 201.225 2.853 50 0 BFAARN O=c1oc2ccccc2cc1-c1cccnc1 ZINC000031483830 343219601 /nfs/dbraw/zinc/21/96/01/343219601.db2.gz BPYWYJSDRHTBHG-UHFFFAOYSA-N 0 0 223.231 2.855 50 0 BFAARN S=c1[n-]nc(C=Cc2ccccc2)o1 ZINC000013122466 187250632 /nfs/dbraw/zinc/25/06/32/187250632.db2.gz KNRDDHQQKURIEX-VOTSOKGWSA-N 0 0 204.254 2.529 50 0 BFAARN Cc1ccc(C(=O)N2CCc3ccccc3C2)o1 ZINC000006278918 187249130 /nfs/dbraw/zinc/24/91/30/187249130.db2.gz UWNVHAJXTJSTHR-UHFFFAOYSA-N 0 0 241.290 2.787 50 0 BFAARN Fc1ccc(-n2c(Cl)nnc2C2CC2)cc1 ZINC000032627154 343239046 /nfs/dbraw/zinc/23/90/46/343239046.db2.gz YLMNNHFAOPOZIJ-UHFFFAOYSA-N 0 0 237.665 2.937 50 0 BFAARN CC[C@H]1c2ccsc2CCN1C(C)=O ZINC000032781314 343242233 /nfs/dbraw/zinc/24/22/33/343242233.db2.gz CDFRBNCHVUZCQI-JTQLQIEISA-N 0 0 209.314 2.604 50 0 BFAARN CC(C)c1ocnc1C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000072303679 343243302 /nfs/dbraw/zinc/24/33/02/343243302.db2.gz OJKRKLKXFULZAU-AOOOYVTPSA-N 0 0 236.315 2.526 50 0 BFAARN C[C@@H](C1CC1)N(C)C(=O)c1ccc(Cl)o1 ZINC000032907067 343243854 /nfs/dbraw/zinc/24/38/54/343243854.db2.gz VETHFPWLZMCSBY-ZETCQYMHSA-N 0 0 227.691 2.804 50 0 BFAARN CCC(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000009230411 187250026 /nfs/dbraw/zinc/25/00/26/187250026.db2.gz KLAZZRCJDGRKCD-UHFFFAOYSA-N 0 0 234.299 2.630 50 0 BFAARN C[C@@H](O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000035188729 343288979 /nfs/dbraw/zinc/28/89/79/343288979.db2.gz KELRWTBDHHZZFX-LLVKDONJSA-N 0 0 241.290 2.992 50 0 BFAARN Nc1nc(Br)cc2ccccc12 ZINC000033704521 343259043 /nfs/dbraw/zinc/25/90/43/343259043.db2.gz JFGHICQGSSFEHW-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN COCc1ccc(OC)c(Br)c1 ZINC000034194774 343266098 /nfs/dbraw/zinc/26/60/98/343266098.db2.gz QUZGPFANEYVMBN-UHFFFAOYSA-N 0 0 231.089 2.604 50 0 BFAARN Cc1ccc(NC(=O)NC2CCCCC2)nc1 ZINC000000295280 343269179 /nfs/dbraw/zinc/26/91/79/343269179.db2.gz INKZGCDTLOFHSZ-UHFFFAOYSA-N 0 0 233.315 2.844 50 0 BFAARN CC1(C)C[C@]23C(=O)CC[C@H](O)[C@@]2(C)CC[C@H]13 ZINC000001504870 343270696 /nfs/dbraw/zinc/27/06/96/343270696.db2.gz UHRWOVVMQAASAO-QOBDMFJFSA-N 0 0 222.328 2.543 50 0 in-vitro BFAARN Fc1ccc(-c2noc(-c3cccnc3)n2)cc1 ZINC000006728859 343273923 /nfs/dbraw/zinc/27/39/23/343273923.db2.gz LRJHMLOOBFGZQV-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN COC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000034606935 343275825 /nfs/dbraw/zinc/27/58/25/343275825.db2.gz KZWKRXZFJWFHSR-SSDOTTSWSA-N 0 0 243.100 2.726 50 0 BFAARN CC(=O)CC(=O)Nc1ccc2nc(C)sc2c1 ZINC000019412526 187251757 /nfs/dbraw/zinc/25/17/57/187251757.db2.gz FCVNZOTZZDFWSY-UHFFFAOYSA-N 0 0 248.307 2.522 50 0 BFAARN Nc1nc(C(F)(F)F)c(Br)s1 ZINC000034723376 343277996 /nfs/dbraw/zinc/27/79/96/343277996.db2.gz DSEAYBLLHONPRM-UHFFFAOYSA-N 0 0 247.039 2.507 50 0 BFAARN CCCN1C(=S)N=NC1COc1ccccc1 ZINC000034925544 343280402 /nfs/dbraw/zinc/28/04/02/343280402.db2.gz DXEGKLFXEHWCLC-UHFFFAOYSA-N 0 0 249.339 2.556 50 0 BFAARN Cc1nnc(SC[C@H]2CCC(C)(C)O2)s1 ZINC000187336546 343281965 /nfs/dbraw/zinc/28/19/65/343281965.db2.gz GSNZBUUWCOZHBL-MRVPVSSYSA-N 0 0 244.385 2.896 50 0 BFAARN CC(C)(C)OC(=O)n1cc(C=O)c2cccnc21 ZINC000036449813 343318988 /nfs/dbraw/zinc/31/89/88/343318988.db2.gz GFZQRKMUXOECFL-UHFFFAOYSA-N 0 0 246.266 2.632 50 0 BFAARN Cc1c2cn(C)nc2ccc1Br ZINC000036533455 343320099 /nfs/dbraw/zinc/32/00/99/343320099.db2.gz CJUCAYMTGYRYEH-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Nc1cc(F)c(Cl)cc1Br ZINC000036533100 343320160 /nfs/dbraw/zinc/32/01/60/343320160.db2.gz ZPMKGKUWDFEBFB-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN Nc1ccc(Cl)c(NC(=O)C2CCC2)c1 ZINC000036737701 343323445 /nfs/dbraw/zinc/32/34/45/343323445.db2.gz WWWFYTWDYZJCFO-UHFFFAOYSA-N 0 0 224.691 2.661 50 0 BFAARN Cn1c2ccccc2nc1-c1ccc(O)cc1 ZINC000036896067 343326706 /nfs/dbraw/zinc/32/67/06/343326706.db2.gz UTCOQGRQNJZVRR-UHFFFAOYSA-N 0 0 224.263 2.946 50 0 BFAARN O=c1[nH]c(Cl)nc2cccc(Cl)c21 ZINC000026899496 187254710 /nfs/dbraw/zinc/25/47/10/187254710.db2.gz NMCPFNYWLIXCSX-UHFFFAOYSA-N 0 0 215.039 2.642 50 0 BFAARN CCCCC(=O)c1ccc2c(c1)OCO2 ZINC000036157871 343310895 /nfs/dbraw/zinc/31/08/95/343310895.db2.gz VSLRIRGQCOPULE-UHFFFAOYSA-N 0 0 206.241 2.788 50 0 in-vitro BFAARN Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000036269978 343313609 /nfs/dbraw/zinc/31/36/09/343313609.db2.gz IQVUGXWFXKDEOI-SNVBAGLBSA-N 0 0 216.284 2.564 50 0 BFAARN COC(=O)[C@@H](NC1CCCC1)c1cccc(C)c1 ZINC000037970147 343363257 /nfs/dbraw/zinc/36/32/57/343363257.db2.gz HDLHAHKHBWLHJR-AWEZNQCLSA-N 0 0 247.338 2.741 50 0 BFAARN CN(CC(=O)c1ccccc1)C(=O)OC(C)(C)C ZINC000038255901 343373280 /nfs/dbraw/zinc/37/32/80/343373280.db2.gz WFKSNAFHIMNMLV-UHFFFAOYSA-N 0 0 249.310 2.736 50 0 BFAARN Nc1ccc(OCc2ccccc2)cc1O ZINC000038885599 343380129 /nfs/dbraw/zinc/38/01/29/343380129.db2.gz XOJGECMCKLYLDB-UHFFFAOYSA-N 0 0 215.252 2.553 50 0 BFAARN COc1cccc(Br)c1C(C)=O ZINC000034542670 187257179 /nfs/dbraw/zinc/25/71/79/187257179.db2.gz MIYSKSQWTYYYMX-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN CC(=O)c1cc(Br)ccc1F ZINC000031893423 187256493 /nfs/dbraw/zinc/25/64/93/187256493.db2.gz XNRQIHIOKXQSPG-UHFFFAOYSA-N 0 0 217.037 2.791 50 0 BFAARN Nc1cc(Cl)ccc1OCC(F)F ZINC000037755388 343353473 /nfs/dbraw/zinc/35/34/73/343353473.db2.gz ZLWVURZYSRYGJW-UHFFFAOYSA-N 0 0 207.607 2.566 50 0 BFAARN CC(C)Cc1cc(N)n(-c2ccccc2)n1 ZINC000036533233 187259211 /nfs/dbraw/zinc/25/92/11/187259211.db2.gz NFNOYYLUXURTBD-UHFFFAOYSA-N 0 0 215.300 2.653 50 0 BFAARN Cc1ccc(CC(=O)Nc2nccs2)cc1C ZINC000003549613 178522782 /nfs/dbraw/zinc/52/27/82/178522782.db2.gz QVSPTTXPVZTFNZ-UHFFFAOYSA-N 0 0 246.335 2.941 50 0 BFAARN Fc1ccc(-c2nnc(-c3ccncc3)[nH]2)cc1 ZINC000040175825 343398005 /nfs/dbraw/zinc/39/80/05/343398005.db2.gz DGMXVRBKJBKYQT-UHFFFAOYSA-N 0 0 240.241 2.673 50 0 BFAARN CC(C)[C@@H]1OCCN1[C@H](C)CCCC(C)(C)O ZINC000000507900 346936167 /nfs/dbraw/zinc/93/61/67/346936167.db2.gz RDSYFMCJZMLINT-OLZOCXBDSA-N 0 0 243.391 2.630 50 0 BFAARN Clc1cc(Nc2ccccc2)ncn1 ZINC000040431918 343402998 /nfs/dbraw/zinc/40/29/98/343402998.db2.gz BKFCALDEHHCLSY-UHFFFAOYSA-N 0 0 205.648 2.874 50 0 BFAARN Clc1ncc(OCc2ccccc2)cn1 ZINC000040448319 343403636 /nfs/dbraw/zinc/40/36/36/343403636.db2.gz XOCCSJLRSSDCLM-UHFFFAOYSA-N 0 0 220.659 2.709 50 0 BFAARN S=c1nc2[nH]cc(Cl)cc-2s1 ZINC000040456646 343404354 /nfs/dbraw/zinc/40/43/54/343404354.db2.gz WNODJDUJWQRQEQ-UHFFFAOYSA-N 0 0 202.691 2.633 50 0 BFAARN CN(C)c1cccc(C(=O)N2CCCCCC2)c1 ZINC000040459309 343404813 /nfs/dbraw/zinc/40/48/13/343404813.db2.gz STPFXRUGLXNPHQ-UHFFFAOYSA-N 0 0 246.354 2.769 50 0 BFAARN O=C1NCCCC[C@@H]1Sc1ccc(F)cc1 ZINC000040481438 343405360 /nfs/dbraw/zinc/40/53/60/343405360.db2.gz YFUAHSKFBAHHGF-NSHDSACASA-N 0 0 239.315 2.587 50 0 BFAARN c1csc(CCCc2nc(C3CC3)n[nH]2)c1 ZINC000041057648 343414200 /nfs/dbraw/zinc/41/42/00/343414200.db2.gz OXUYMCGEBDNRPQ-UHFFFAOYSA-N 0 0 233.340 2.919 50 0 BFAARN Fc1ccc(-c2ccc(=S)[nH]n2)cc1 ZINC000041214510 343417139 /nfs/dbraw/zinc/41/71/39/343417139.db2.gz TXXAXYKLPACRHD-UHFFFAOYSA-N 0 0 206.245 2.945 50 0 BFAARN Cc1ccsc1CNC(=O)NCC1CCC1 ZINC000041408920 343420431 /nfs/dbraw/zinc/42/04/31/343420431.db2.gz XWRHNCPOFKKGOB-UHFFFAOYSA-N 0 0 238.356 2.656 50 0 BFAARN Cc1cc2[nH]c(=O)oc2c(Br)c1 ZINC000041568914 343421429 /nfs/dbraw/zinc/42/14/29/343421429.db2.gz YGMFEJPRDVEMNK-UHFFFAOYSA-N 0 0 228.045 2.604 50 0 BFAARN Cc1[nH]nc(C(C)C)c1Br ZINC000042383946 343435899 /nfs/dbraw/zinc/43/58/99/343435899.db2.gz QESRUPPMWNCTTJ-UHFFFAOYSA-N 0 0 203.083 2.604 50 0 BFAARN COc1ccc(Cl)c(N)c1Br ZINC000234858027 259361902 /nfs/dbraw/zinc/36/19/02/259361902.db2.gz UKNUTDZTJPKCFU-UHFFFAOYSA-N 0 0 236.496 2.693 50 0 BFAARN Clc1nccnc1Oc1ccccc1 ZINC000043536806 343477262 /nfs/dbraw/zinc/47/72/62/343477262.db2.gz CDVBHMRLWICENV-UHFFFAOYSA-N 0 0 206.632 2.922 50 0 BFAARN Nc1cc(-c2ccc(Br)cc2)on1 ZINC000043574057 343477820 /nfs/dbraw/zinc/47/78/20/343477820.db2.gz YINDFUSXBDZGIH-UHFFFAOYSA-N 0 0 239.072 2.686 50 0 BFAARN CCCCCNC(=O)NCCNc1ccccc1 ZINC000072312644 343534867 /nfs/dbraw/zinc/53/48/67/343534867.db2.gz WUJBYVVFIUHCRU-UHFFFAOYSA-N 0 0 249.358 2.588 50 0 BFAARN CC(=O)Nc1ccccc1OC1CCCC1 ZINC000046665338 343547875 /nfs/dbraw/zinc/54/78/75/343547875.db2.gz XDSUGCMSAPVQGR-UHFFFAOYSA-N 0 0 219.284 2.966 50 0 BFAARN Cc1ccoc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000048354107 343578973 /nfs/dbraw/zinc/57/89/73/343578973.db2.gz DEFAOUGAKFMTBM-AOOOYVTPSA-N 0 0 221.300 2.706 50 0 BFAARN COCc1ccc(Br)cc1F ZINC000049600919 343604341 /nfs/dbraw/zinc/60/43/41/343604341.db2.gz BXSWVRGOODJFHS-UHFFFAOYSA-N 0 0 219.053 2.735 50 0 BFAARN CCC(=O)C1=C(O)CC[C@H](C(C)(C)C)C1 ZINC000043651714 343696617 /nfs/dbraw/zinc/69/66/17/343696617.db2.gz UUOALHMQTJPKOY-VHSXEESVSA-N 0 0 210.317 2.997 50 0 BFAARN COc1ccc(Cc2nsc(Cl)n2)cc1 ZINC000047218915 187269442 /nfs/dbraw/zinc/26/94/42/187269442.db2.gz AGZZMAZKGHBNSX-UHFFFAOYSA-N 0 0 240.715 2.791 50 0 BFAARN O=C(CC[C@H]1CCCC1=O)c1ccccc1O ZINC000000519252 346963028 /nfs/dbraw/zinc/96/30/28/346963028.db2.gz MAZMUXBBTPTKSB-SNVBAGLBSA-N 0 0 232.279 2.724 50 0 biogenic BFAARN CCN(Cc1ncc[nH]1)Cc1ccccc1F ZINC000065397238 343779692 /nfs/dbraw/zinc/77/96/92/343779692.db2.gz BTXCNDLPGFNPEA-UHFFFAOYSA-N 0 0 233.290 2.571 50 0 BFAARN CC(C)CCc1ccc([C@H]([NH3+])CC(=O)[O-])cc1 ZINC000000533770 346986446 /nfs/dbraw/zinc/98/64/46/346986446.db2.gz FDBAPXYVXNECEZ-CYBMUJFWSA-N 0 0 235.327 2.750 50 0 biogenic BFAARN CCC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 ZINC000000349112 537819816 /nfs/dbraw/zinc/81/98/16/537819816.db2.gz QUXCQKUWTNGSOZ-FMIVXFBMSA-N 0 0 228.295 2.639 50 0 BFAARN Cc1ccc(CNC(=O)C2CCCC2)s1 ZINC000040541694 178592315 /nfs/dbraw/zinc/59/23/15/178592315.db2.gz NHKINGFZAMKETP-UHFFFAOYSA-N 0 0 223.341 2.863 50 0 BFAARN Cc1ccc(CNC(=O)NCC(C)C)cc1F ZINC000032862716 178594799 /nfs/dbraw/zinc/59/47/99/178594799.db2.gz LHLGQDCZKBVHIZ-UHFFFAOYSA-N 0 0 238.306 2.589 50 0 BFAARN C[C@@H](CC(F)F)C(=O)N1CCCCCC1 ZINC000334802780 343908384 /nfs/dbraw/zinc/90/83/84/343908384.db2.gz BPFFLMGNQYYNHM-VIFPVBQESA-N 0 0 219.275 2.680 50 0 BFAARN Cc1csc(NC(=O)Cc2ccccc2)n1 ZINC000000563269 347016872 /nfs/dbraw/zinc/01/68/72/347016872.db2.gz YUZOFWPNYHCMMW-UHFFFAOYSA-N 0 0 232.308 2.633 50 0 in-vivo BFAARN O=C(Nc1nccs1)[C@H]1CCC[C@H](F)C1 ZINC000335106670 343928594 /nfs/dbraw/zinc/92/85/94/343928594.db2.gz BTXIJIZEWXAKDT-YUMQZZPRSA-N 0 0 228.292 2.610 50 0 BFAARN Clc1ccccc1Nc1ncnc2nc[nH]c21 ZINC000004683343 343957892 /nfs/dbraw/zinc/95/78/92/343957892.db2.gz QZPHGMKICYKDIC-UHFFFAOYSA-N 0 0 245.673 2.750 50 0 BFAARN CC(=O)CCCC(=O)c1ccncc1Cl ZINC000091677812 187286754 /nfs/dbraw/zinc/28/67/54/187286754.db2.gz JNUYIDVWPCEDAT-UHFFFAOYSA-N 0 0 225.675 2.677 50 0 BFAARN Cc1coc2ccc3ccc(=O)oc3c12 ZINC000006072104 344117676 /nfs/dbraw/zinc/11/76/76/344117676.db2.gz NHOICFAHZSXGJY-UHFFFAOYSA-N 0 0 200.193 2.848 50 0 BFAARN Cc1ccc2c(c1)C(=O)c1cnc(C)cc1-2 ZINC000000051648 344100498 /nfs/dbraw/zinc/10/04/98/344100498.db2.gz UQHJHBSEYIOLIB-UHFFFAOYSA-N 0 0 209.248 2.910 50 0 biogenic BFAARN CN(N=O)c1ccc(Br)cc1 ZINC000004755008 344171777 /nfs/dbraw/zinc/17/17/77/344171777.db2.gz ALPCWHBDOURDHG-UHFFFAOYSA-N 0 0 215.050 2.567 50 0 BFAARN CC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000096877555 187288602 /nfs/dbraw/zinc/28/86/02/187288602.db2.gz ZYNLWRZPRVEDFH-NSHDSACASA-N 0 0 241.331 2.613 50 0 BFAARN Cc1ccsc1CNc1ncccc1CO ZINC000585139130 344151056 /nfs/dbraw/zinc/15/10/56/344151056.db2.gz DIFFFWWJNUSUAV-UHFFFAOYSA-N 0 0 234.324 2.556 50 0 BFAARN CCc1ccc(C(=O)Nc2cccc(C)n2)o1 ZINC000043803932 344225248 /nfs/dbraw/zinc/22/52/48/344225248.db2.gz FHJMUMBEKFKRSW-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN C/C=C/C=C\C(=O)Nc1ccc(OC)c(OC)c1 ZINC000096646127 187289270 /nfs/dbraw/zinc/28/92/70/187289270.db2.gz SZNHISOVDGFECZ-DEQVHDEQSA-N 0 0 247.294 2.775 50 0 BFAARN CC(C)(C)Oc1c(F)cc(NC(N)=O)cc1F ZINC000097083155 187290140 /nfs/dbraw/zinc/29/01/40/187290140.db2.gz PLASANCSICQYLB-UHFFFAOYSA-N 0 0 244.241 2.633 50 0 BFAARN O=C1CS[C@H]2N1CCCC21CCCCC1 ZINC000000078968 344242510 /nfs/dbraw/zinc/24/25/10/344242510.db2.gz ISJMFHPGCYLYSR-LLVKDONJSA-N 0 0 225.357 2.632 50 0 biogenic BFAARN Cc1ccc2nsnc2c1Br ZINC000000090139 344329905 /nfs/dbraw/zinc/32/99/05/344329905.db2.gz MVKNQPXDNRZEPN-UHFFFAOYSA-N 0 0 229.102 2.762 50 0 BFAARN Nc1ccccc1[C@@H]1CC1(Cl)Cl ZINC000000093770 344331907 /nfs/dbraw/zinc/33/19/07/344331907.db2.gz SZUWLNKLJNVARV-ZETCQYMHSA-N 0 0 202.084 2.930 50 0 BFAARN CCc1nc(Cl)c(Cl)nc1CC ZINC000095829168 344357300 /nfs/dbraw/zinc/35/73/00/344357300.db2.gz IGPMBOSVPGVGPA-UHFFFAOYSA-N 0 0 205.088 2.908 50 0 BFAARN C[C@H](CCc1ccccc1)NC(=O)C(F)(F)F ZINC000006252482 344389829 /nfs/dbraw/zinc/38/98/29/344389829.db2.gz MDBNHAHKSSMQME-SECBINFHSA-N 0 0 245.244 2.686 50 0 BFAARN Clc1ccc2ncc(-c3cc[nH]n3)nc2c1 ZINC000020536862 344468766 /nfs/dbraw/zinc/46/87/66/344468766.db2.gz ALLFISONUKAVQG-UHFFFAOYSA-N 0 0 230.658 2.673 50 0 BFAARN Cc1nnn2cc(C(F)(F)F)cc(Cl)c12 ZINC000263639757 344508199 /nfs/dbraw/zinc/50/81/99/344508199.db2.gz HQNORRLIFLYLFN-UHFFFAOYSA-N 0 0 235.596 2.710 50 0 BFAARN O=C1CCCc2cc(OCC3CC3)ccc21 ZINC000044745945 344546591 /nfs/dbraw/zinc/54/65/91/344546591.db2.gz NKVOQNIXBKCSFA-UHFFFAOYSA-N 0 0 216.280 2.994 50 0 BFAARN Cc1cc(C)nc(Nc2ccccc2F)n1 ZINC000000150110 344569794 /nfs/dbraw/zinc/56/97/94/344569794.db2.gz HTKOZFLFSQNWJV-UHFFFAOYSA-N 0 0 217.247 2.976 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@H](C)C2)c(C)o1 ZINC000028225693 344603885 /nfs/dbraw/zinc/60/38/85/344603885.db2.gz HFVYRKBWJGEEKK-VIFPVBQESA-N 0 0 221.300 2.769 50 0 BFAARN COC(=O)[C@@H](C)Nc1c(C)cc(C)cc1C ZINC000000244102 344658126 /nfs/dbraw/zinc/65/81/26/344658126.db2.gz JOPXXCORTMWJHX-LLVKDONJSA-N 0 0 221.300 2.585 50 0 biogenic BFAARN CCc1ccc(C(=O)Oc2cccnc2)cc1 ZINC000000243351 344658408 /nfs/dbraw/zinc/65/84/08/344658408.db2.gz SOLIAJAYTIPGHR-UHFFFAOYSA-N 0 0 227.263 2.863 50 0 BFAARN O=C(c1cccc2ccccc21)n1cccn1 ZINC000000253859 344663660 /nfs/dbraw/zinc/66/36/60/344663660.db2.gz OMQDSKYQXDQNEK-UHFFFAOYSA-N 0 0 222.247 2.725 50 0 BFAARN O=C(c1scc2c1CCCC2)N1CCCC1 ZINC000000269635 344668860 /nfs/dbraw/zinc/66/88/60/344668860.db2.gz RNCSAIVAVYSPSC-UHFFFAOYSA-N 0 0 235.352 2.863 50 0 BFAARN C[C@@H](CC(=O)NCc1ccccc1)[C@@H]1CCCO1 ZINC000000198739 344629227 /nfs/dbraw/zinc/62/92/27/344629227.db2.gz JCBJRIFKIORSDK-JSGCOSHPSA-N 0 0 247.338 2.508 50 0 BFAARN O=C(Oc1cccc(O)c1)C1CCCCC1 ZINC000000363567 344729731 /nfs/dbraw/zinc/72/97/31/344729731.db2.gz JYLGRVRTPXZJMM-UHFFFAOYSA-N 0 0 220.268 2.878 50 0 BFAARN Cc1cc(C(=O)Nc2cc(C)ccc2F)no1 ZINC000000372155 344733830 /nfs/dbraw/zinc/73/38/30/344733830.db2.gz ITQNYJHFIQVBMK-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN Cc1ccc(N2C(=O)CC3(CCCC3)C2=O)cc1 ZINC000007000806 537856334 /nfs/dbraw/zinc/85/63/34/537856334.db2.gz BEIFUFTXPSLPMY-UHFFFAOYSA-N 0 0 243.306 2.819 50 0 BFAARN Cc1ccc(NC(=O)C2CCC2)cc1F ZINC000002872015 178720986 /nfs/dbraw/zinc/72/09/86/178720986.db2.gz JQNJBEYSIJBQKH-UHFFFAOYSA-N 0 0 207.248 2.873 50 0 BFAARN CN(Cc1nnsc1Cl)c1ccccc1 ZINC000032819277 537863564 /nfs/dbraw/zinc/86/35/64/537863564.db2.gz NPTDZXSSVFEMPE-UHFFFAOYSA-N 0 0 239.731 2.828 50 0 BFAARN Cc1ccc2c(c1)S[C@@H](C(=O)NCC1CC1)C2 ZINC000025574726 537871722 /nfs/dbraw/zinc/87/17/22/537871722.db2.gz HXLUIXFGOKTADG-CYBMUJFWSA-N 0 0 247.363 2.538 50 0 BFAARN CCc1cc2c(nc(C)nc2NC)s1 ZINC000005017339 344902080 /nfs/dbraw/zinc/90/20/80/344902080.db2.gz IYLWQRGTQSFDGO-UHFFFAOYSA-N 0 0 207.302 2.604 50 0 BFAARN CC1(C)C(=O)CC[C@@]2(C)CCC(=O)C=C12 ZINC000033702996 344908955 /nfs/dbraw/zinc/90/89/55/344908955.db2.gz IKRQBJKHMANKCT-CYBMUJFWSA-N 0 0 206.285 2.671 50 0 BFAARN C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(C(=O)[O-])CC1 ZINC000577069537 365802893 /nfs/dbraw/zinc/80/28/93/365802893.db2.gz KGPHEDSSEXBDJB-RYUDHWBXSA-N 0 0 247.338 2.633 50 0 BFAARN Cc1ccc(CSc2nnc([C@H](C)N)o2)cc1 ZINC000005085936 344936158 /nfs/dbraw/zinc/93/61/58/344936158.db2.gz GWBREIFLZCLPMU-VIFPVBQESA-N 0 0 249.339 2.690 50 0 BFAARN Cc1cnc(NC(=O)[C@H]2CC=CCC2)s1 ZINC000007987017 344972387 /nfs/dbraw/zinc/97/23/87/344972387.db2.gz BKXCVCSQIWRNTJ-VIFPVBQESA-N 0 0 222.313 2.746 50 0 BFAARN O=c1cc(Br)cc(C(F)(F)F)[nH]1 ZINC000238727219 345121627 /nfs/dbraw/zinc/12/16/27/345121627.db2.gz ZLTUEPQWZSSWHR-UHFFFAOYSA-N 0 0 241.994 2.569 50 0 BFAARN CC1=C[C@@H](C)C2(COC(C)OC2)[C@H](C)C1 ZINC000000517782 187301023 /nfs/dbraw/zinc/30/10/23/187301023.db2.gz BAYLCXARJZNKOL-OKZRHMCRSA-N 0 0 210.317 2.988 50 0 biogenic BFAARN Cc1ccc(COC(=O)c2ccccc2)o1 ZINC000000405266 187301510 /nfs/dbraw/zinc/30/15/10/187301510.db2.gz CZGJADJWVDCSFQ-UHFFFAOYSA-N 0 0 216.236 2.945 50 0 BFAARN CC(C)n1cnc2c1c1ccccc1oc2=O ZINC000000272774 345422139 /nfs/dbraw/zinc/42/21/39/345422139.db2.gz VOQYOAGHEUDKBD-UHFFFAOYSA-N 0 0 228.251 2.724 50 0 BFAARN CCCc1noc2c1C(=O)CC(C)(C)C2 ZINC000000197484 345477365 /nfs/dbraw/zinc/47/73/65/345477365.db2.gz HKZFVBRFMCRFDC-UHFFFAOYSA-N 0 0 207.273 2.782 50 0 BFAARN Cc1ccnc(NC2=NCC(C)(C)S2)c1 ZINC000004047811 187308971 /nfs/dbraw/zinc/30/89/71/187308971.db2.gz WINPUMBYOQMZMC-UHFFFAOYSA-N 0 0 221.329 2.683 50 0 BFAARN Cc1noc2ncnc(Oc3ccccc3)c12 ZINC000005724642 347087195 /nfs/dbraw/zinc/08/71/95/347087195.db2.gz HRORRWAWOALHJJ-UHFFFAOYSA-N 0 0 227.223 2.719 50 0 BFAARN CC(C)(C)C(=O)Nc1cccc2n[nH]cc21 ZINC000001396325 346036048 /nfs/dbraw/zinc/03/60/48/346036048.db2.gz VUDQSPZHZOBREG-UHFFFAOYSA-N 0 0 217.272 2.548 50 0 BFAARN Cc1ccc2c[nH]nc2c1Br ZINC000071789962 178971644 /nfs/dbraw/zinc/97/16/44/178971644.db2.gz YQYJCEGYOVYERM-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN C[C@@H]1CC=CC[C@H]1C(=O)NC1(C(F)F)CC1 ZINC000334220563 133590679 /nfs/dbraw/zinc/59/06/79/133590679.db2.gz VOGVSBMQZWJIDU-RKDXNWHRSA-N 0 0 229.270 2.503 50 0 BFAARN Cc1ccc2oc(=O)c(C=O)c(Cl)c2c1 ZINC000001081543 178987219 /nfs/dbraw/zinc/98/72/19/178987219.db2.gz HXSVKJZDKJJYAF-UHFFFAOYSA-N 0 0 222.627 2.567 50 0 BFAARN CCn1cc(OCCSCC(C)C)cn1 ZINC000193553105 346169833 /nfs/dbraw/zinc/16/98/33/346169833.db2.gz CYZAUUAEUCXHED-UHFFFAOYSA-N 0 0 228.361 2.671 50 0 BFAARN Cc1cccc(-c2ocnc2C(=O)NC(C)C)c1 ZINC000015782256 179000227 /nfs/dbraw/zinc/00/02/27/179000227.db2.gz PPQNGSYOUNQNIQ-UHFFFAOYSA-N 0 0 244.294 2.788 50 0 BFAARN Cc1cccc(-n2nc3c(c2N)CSC3)c1 ZINC000002454962 179000846 /nfs/dbraw/zinc/00/08/46/179000846.db2.gz USIZSOFTWVJRQE-UHFFFAOYSA-N 0 0 231.324 2.510 50 0 BFAARN Cc1nnc2sc3cc(C)ccc3n12 ZINC000002024906 346212776 /nfs/dbraw/zinc/21/27/76/346212776.db2.gz GMZULTAPVYULPI-UHFFFAOYSA-N 0 0 203.270 2.561 50 0 BFAARN Cc1cccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000089688914 179008162 /nfs/dbraw/zinc/00/81/62/179008162.db2.gz TWQCUDIFGZLDPJ-JSGCOSHPSA-N 0 0 244.338 2.795 50 0 BFAARN CSCC(=O)c1ccc(Cl)cc1 ZINC000034285096 346241775 /nfs/dbraw/zinc/24/17/75/346241775.db2.gz UBAWNJNGYAHXFA-UHFFFAOYSA-N 0 0 200.690 2.886 50 0 BFAARN Cc1cccc(C(=O)NC2CCCC2)c1C ZINC000012905705 179014817 /nfs/dbraw/zinc/01/48/17/179014817.db2.gz LHCDYKNVQFBCLG-UHFFFAOYSA-N 0 0 217.312 2.976 50 0 BFAARN Cc1cccc(C(=O)N[C@H](C)c2ccncc2)c1 ZINC000006125276 179023754 /nfs/dbraw/zinc/02/37/54/179023754.db2.gz OWMLHVKNNICWGS-GFCCVEGCSA-N 0 0 240.306 2.881 50 0 BFAARN Cc1cccc(C(=O)OCc2cncs2)c1 ZINC000001403721 179025807 /nfs/dbraw/zinc/02/58/07/179025807.db2.gz GGNPJPIGEHRXLV-UHFFFAOYSA-N 0 0 233.292 2.809 50 0 BFAARN CC(=O)N1CCS[C@H](c2ccccc2)CC1 ZINC000211139794 187318306 /nfs/dbraw/zinc/31/83/06/187318306.db2.gz BYMSEKCFMZLRHR-ZDUSSCGKSA-N 0 0 235.352 2.713 50 0 BFAARN Cc1cccc(C(=O)Nc2cc(N)ccc2F)c1 ZINC000019736558 179025344 /nfs/dbraw/zinc/02/53/44/179025344.db2.gz SFAUUVNDSOZBIN-UHFFFAOYSA-N 0 0 244.269 2.969 50 0 BFAARN Cc1cccc(C(=O)N[C@@H](C)Cc2ccco2)c1 ZINC000042381754 179021603 /nfs/dbraw/zinc/02/16/03/179021603.db2.gz LLIVQYRDSZRCGS-LBPRGKRZSA-N 0 0 243.306 2.949 50 0 BFAARN COCc1c(Cl)n(C)nc1-c1ccccc1 ZINC000003135086 346297872 /nfs/dbraw/zinc/29/78/72/346297872.db2.gz LYDMMGOSXLHEIU-UHFFFAOYSA-N 0 0 236.702 2.887 50 0 BFAARN CCOc1ccc(Nc2cc(C)[nH]n2)cc1 ZINC000005659220 346299090 /nfs/dbraw/zinc/29/90/90/346299090.db2.gz ZHXWWYLEJJYCLL-UHFFFAOYSA-N 0 0 217.272 2.860 50 0 BFAARN Cc1cccc(C)c1C(=O)c1ccccn1 ZINC000043210503 179033871 /nfs/dbraw/zinc/03/38/71/179033871.db2.gz DDPYTYVJXIMTST-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN O=C(CSCc1ccccc1)NC1CCCC1 ZINC000006864244 349948958 /nfs/dbraw/zinc/94/89/58/349948958.db2.gz AZPWXQIUMWQSMZ-UHFFFAOYSA-N 0 0 249.379 2.979 50 0 BFAARN Cc1cccc(C)c1OCC(=O)c1cccn1C ZINC000034979128 179046501 /nfs/dbraw/zinc/04/65/01/179046501.db2.gz UCBKXQDFDXEGPN-UHFFFAOYSA-N 0 0 243.306 2.904 50 0 BFAARN CC(C)(C)OC(=O)N1CCCC[C@@H]2C[C@@H]21 ZINC000669378649 537968723 /nfs/dbraw/zinc/96/87/23/537968723.db2.gz LBMYDKALZQLSEU-ZJUUUORDSA-N 0 0 211.305 2.796 50 0 BFAARN Cc1cccc(CC(=O)NC2CCCCC2)c1 ZINC000006726713 179052532 /nfs/dbraw/zinc/05/25/32/179052532.db2.gz AFGFGGIBHGZNAV-UHFFFAOYSA-N 0 0 231.339 2.986 50 0 BFAARN Cc1cc(NC(=O)Cc2cccc(C)c2)sn1 ZINC000044454017 179053166 /nfs/dbraw/zinc/05/31/66/179053166.db2.gz XXBAXLSEIMLQEV-UHFFFAOYSA-N 0 0 246.335 2.941 50 0 BFAARN CC(C)(C)OC(=O)N1CCCC[C@H]2C[C@H]21 ZINC000669378648 537969694 /nfs/dbraw/zinc/96/96/94/537969694.db2.gz LBMYDKALZQLSEU-VHSXEESVSA-N 0 0 211.305 2.796 50 0 BFAARN Cc1cccc(CC(=O)Nc2cccnc2)c1 ZINC000006714735 179053437 /nfs/dbraw/zinc/05/34/37/179053437.db2.gz AHPALPGTXJXWGY-UHFFFAOYSA-N 0 0 226.279 2.571 50 0 BFAARN Cc1cc(NC(=O)CCc2cccc(C)c2)n[nH]1 ZINC000048602558 179054429 /nfs/dbraw/zinc/05/44/29/179054429.db2.gz DZQSVTZSQFYRPX-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN Nc1nccc(-c2cccc(Cl)c2F)n1 ZINC000000143042 346401251 /nfs/dbraw/zinc/40/12/51/346401251.db2.gz RKKRYAJQHZLZOQ-UHFFFAOYSA-N 0 0 223.638 2.518 50 0 BFAARN Cc1ccc2c(c1)c1c(n2C)[C@@H](O)CCC1 ZINC000000178923 346402165 /nfs/dbraw/zinc/40/21/65/346402165.db2.gz BBIZIYDTFMVGPV-ZDUSSCGKSA-N 0 0 215.296 2.856 50 0 BFAARN CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000000068849 346403671 /nfs/dbraw/zinc/40/36/71/346403671.db2.gz NYWCTWHBTYXUBW-UHFFFAOYSA-N 0 0 236.271 2.908 50 0 BFAARN CC(=O)c1[nH]c2ccccc2c1C(C)=O ZINC000000339659 346413502 /nfs/dbraw/zinc/41/35/02/346413502.db2.gz MQPPGWRGKLNLFG-UHFFFAOYSA-N 0 0 201.225 2.573 50 0 BFAARN CC(C)(C)NC(=O)Nc1ccc(F)cc1 ZINC000000398826 346416696 /nfs/dbraw/zinc/41/66/96/346416696.db2.gz PWSWDFNZPOBCMV-UHFFFAOYSA-N 0 0 210.252 2.746 50 0 BFAARN CCOc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000000453822 346419140 /nfs/dbraw/zinc/41/91/40/346419140.db2.gz DHCNDDIKPFLNAO-UHFFFAOYSA-N 0 0 218.252 2.809 50 0 biogenic BFAARN C/C=C/C(=O)N1c2ccccc2C=C[C@H]1C#N ZINC000000478143 346485581 /nfs/dbraw/zinc/48/55/81/346485581.db2.gz NCOHVZHKOSNEBL-PWFBRDGFSA-N 0 0 224.263 2.515 50 0 BFAARN CCCCC(=O)NCCc1ccccc1 ZINC000002057690 346493409 /nfs/dbraw/zinc/49/34/09/346493409.db2.gz RBPXCUDFQLFKPO-UHFFFAOYSA-N 0 0 205.301 2.536 50 0 BFAARN Cc1cccc(N(C)Cc2cncnc2)c1C ZINC000097103974 179117411 /nfs/dbraw/zinc/11/74/11/179117411.db2.gz OXNCZHRTKHAYKU-UHFFFAOYSA-N 0 0 227.311 2.730 50 0 BFAARN Fc1ccc2[nH]c(-c3ccc(F)nc3)nc2c1 ZINC000206124574 346549588 /nfs/dbraw/zinc/54/95/88/346549588.db2.gz YONUVKLVBWMUSR-UHFFFAOYSA-N 0 0 231.205 2.903 50 0 BFAARN Cc1ccc2c(CC(=O)NC3CC3)coc2c1C ZINC000008034832 346552107 /nfs/dbraw/zinc/55/21/07/346552107.db2.gz CMSCBDBVHMJEIO-UHFFFAOYSA-N 0 0 243.306 2.871 50 0 BFAARN Cc1cccc(N)c1NC(=O)OC(C)(C)C ZINC000002547916 179120322 /nfs/dbraw/zinc/12/03/22/179120322.db2.gz DUMFKNCZZQVNHD-UHFFFAOYSA-N 0 0 222.288 2.924 50 0 BFAARN Cc1cccc(N2N[C@](C)(CC(C)C)NC2=O)c1 ZINC000015867867 179123321 /nfs/dbraw/zinc/12/33/21/179123321.db2.gz ARWRBMOBMRZVCQ-CQSZACIVSA-N 0 0 247.342 2.792 50 0 BFAARN Cc1cccc(NC(=O)CC[C@@H]2CCCO2)c1 ZINC000040505826 179126126 /nfs/dbraw/zinc/12/61/26/179126126.db2.gz DWZKIKKPTXAVOK-ZDUSSCGKSA-N 0 0 233.311 2.893 50 0 BFAARN Cc1cccc(NC(=O)C2=COCCC2)c1F ZINC000182336852 179126641 /nfs/dbraw/zinc/12/66/41/179126641.db2.gz SUDPLVBAOUSVGN-UHFFFAOYSA-N 0 0 235.258 2.767 50 0 BFAARN Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000018177187 179134447 /nfs/dbraw/zinc/13/44/47/179134447.db2.gz WDAHZXSDIOIMNP-UHFFFAOYSA-N 0 0 241.294 2.712 50 0 BFAARN CC(C)(C)NC(=O)Nc1cccc(F)c1 ZINC000006726879 346655426 /nfs/dbraw/zinc/65/54/26/346655426.db2.gz LHHBPFFNPJFELX-UHFFFAOYSA-N 0 0 210.252 2.746 50 0 BFAARN Cc1cccc(NC(=O)Cc2ccc(O)cc2)c1 ZINC000082265551 179129090 /nfs/dbraw/zinc/12/90/90/179129090.db2.gz QQDJSARZTISSBG-UHFFFAOYSA-N 0 0 241.290 2.882 50 0 BFAARN Cn1ccnc1SCc1ccc(F)cc1 ZINC000005635113 346628809 /nfs/dbraw/zinc/62/88/09/346628809.db2.gz PHWSBOQNDBFNJO-UHFFFAOYSA-N 0 0 222.288 2.852 50 0 BFAARN Cc1cccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000000396895 179133386 /nfs/dbraw/zinc/13/33/86/179133386.db2.gz RDJGBTQABHBLSE-RYUDHWBXSA-N 0 0 248.326 2.636 50 0 BFAARN CCCC(=O)Nc1ccc2c(c1)CCCN2 ZINC000054107613 168563645 /nfs/dbraw/zinc/56/36/45/168563645.db2.gz AZJAOKPQAOHZAX-UHFFFAOYSA-N 0 0 218.300 2.783 50 0 BFAARN Cc1cc(CNc2cccc(C)c2)on1 ZINC000064556203 179148492 /nfs/dbraw/zinc/14/84/92/179148492.db2.gz PIVMNKYMDIYYGS-UHFFFAOYSA-N 0 0 202.257 2.904 50 0 BFAARN CCc1csc(Cc2cn3ccccc3n2)n1 ZINC000098014188 346733110 /nfs/dbraw/zinc/73/31/10/346733110.db2.gz AKFSUQDJFWISRH-UHFFFAOYSA-N 0 0 243.335 2.944 50 0 BFAARN O=Cc1sccc1-c1ccncc1F ZINC000725242703 537986353 /nfs/dbraw/zinc/98/63/53/537986353.db2.gz WIPUBTVJEDXVCV-UHFFFAOYSA-N 0 0 207.229 2.762 50 0 BFAARN Cc1cnc(CNc2cccc(C)c2)o1 ZINC000079065281 179151594 /nfs/dbraw/zinc/15/15/94/179151594.db2.gz SNDGAMOZGPUWFH-UHFFFAOYSA-N 0 0 202.257 2.904 50 0 BFAARN Cc1nnc(Nc2cccc(C)c2)s1 ZINC000006704445 179160180 /nfs/dbraw/zinc/16/01/80/179160180.db2.gz CEBLIBFXVSYDLY-UHFFFAOYSA-N 0 0 205.286 2.899 50 0 BFAARN Cc1cccc(OCCc2cc[nH]c(=O)c2)c1C ZINC000091620093 179170137 /nfs/dbraw/zinc/17/01/37/179170137.db2.gz ILHMWMAYEUADEV-UHFFFAOYSA-N 0 0 243.306 2.613 50 0 BFAARN Cc1ocnc1C(=O)Oc1cccc(C)c1F ZINC000097055373 179161970 /nfs/dbraw/zinc/16/19/70/179161970.db2.gz LVNQBJFAKJHGJH-UHFFFAOYSA-N 0 0 235.214 2.650 50 0 BFAARN Cc1cccc(OCCCn2ccnc2)c1 ZINC000002493522 179165687 /nfs/dbraw/zinc/16/56/87/179165687.db2.gz UOZNGQMEJNZLKG-UHFFFAOYSA-N 0 0 216.284 2.661 50 0 BFAARN CC(C)CCNc1ccc(-c2nc[nH]n2)cc1 ZINC000725242672 537986618 /nfs/dbraw/zinc/98/66/18/537986618.db2.gz SXANRDBCNIZMLS-UHFFFAOYSA-N 0 0 230.315 2.930 50 0 BFAARN Cc1cccc(OCCCn2ccnc2)c1C ZINC000002493408 179167208 /nfs/dbraw/zinc/16/72/08/179167208.db2.gz QSMZJLQATWXEBA-UHFFFAOYSA-N 0 0 230.311 2.969 50 0 BFAARN Cc1cccc(O[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000014399403 179174510 /nfs/dbraw/zinc/17/45/10/179174510.db2.gz VORRIFCRPWXNSK-LLVKDONJSA-N 0 0 235.327 2.677 50 0 BFAARN Cc1cc(C2N=NC(=S)N2C2CC2)cs1 ZINC000016972125 347215833 /nfs/dbraw/zinc/21/58/33/347215833.db2.gz JOVITPKIGYZZAF-UHFFFAOYSA-N 0 0 237.353 2.939 50 0 BFAARN Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)[O-])c1C ZINC000237728289 179203045 /nfs/dbraw/zinc/20/30/45/179203045.db2.gz DGTHKSIUIULRJB-CQSZACIVSA-N 0 0 247.338 2.915 50 0 BFAARN Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)[O-])c1C ZINC000237728247 179204047 /nfs/dbraw/zinc/20/40/47/179204047.db2.gz AMGPSJPGXNFLRA-CYBMUJFWSA-N 0 0 233.311 2.525 50 0 BFAARN Cc1cccc2c1ncnc2N1CCCC1 ZINC000095418985 179210190 /nfs/dbraw/zinc/21/01/90/179210190.db2.gz UCARMLRVDYVPCO-UHFFFAOYSA-N 0 0 213.284 2.538 50 0 BFAARN CC[C@H]1CCCCN1C(=O)[C@@H]1CCCSC1 ZINC000082318479 347348207 /nfs/dbraw/zinc/34/82/07/347348207.db2.gz GQWMKYGMYMQBBP-NEPJUHHUSA-N 0 0 241.400 2.921 50 0 BFAARN CC[C@@H](C)CNc1ccc(-c2nc[nH]n2)cc1 ZINC000725242791 537989470 /nfs/dbraw/zinc/98/94/70/537989470.db2.gz YSFJMRQDOLGRLW-SNVBAGLBSA-N 0 0 230.315 2.930 50 0 BFAARN CCc1ccc(C(=O)NCC(C)C)cc1 ZINC000019897688 347376360 /nfs/dbraw/zinc/37/63/60/347376360.db2.gz VDVVFHCSHUDDPA-UHFFFAOYSA-N 0 0 205.301 2.635 50 0 BFAARN CC[C@H](C)CNc1ccc(-c2nc[nH]n2)cc1 ZINC000725242790 537990083 /nfs/dbraw/zinc/99/00/83/537990083.db2.gz YSFJMRQDOLGRLW-JTQLQIEISA-N 0 0 230.315 2.930 50 0 BFAARN Cc1ccc(CN(C)C(=O)c2ccc(F)cc2)o1 ZINC000012973902 347471510 /nfs/dbraw/zinc/47/15/10/347471510.db2.gz BYDLJZXBLVZGGY-UHFFFAOYSA-N 0 0 247.269 2.999 50 0 BFAARN CC[C@@H](C)C(=O)N[C@@H]1CCCc2occc21 ZINC000012913628 347475162 /nfs/dbraw/zinc/47/51/62/347475162.db2.gz GJDNNABSILAWNY-MWLCHTKSSA-N 0 0 221.300 2.819 50 0 BFAARN Cc1ccccc1C(=O)NCC[C@H](O)C(C)(C)C ZINC000077108926 179249145 /nfs/dbraw/zinc/24/91/45/179249145.db2.gz JJTMZIZLJFDOFQ-ZDUSSCGKSA-N 0 0 249.354 2.522 50 0 BFAARN Cc1ccccc1C(=O)NCc1ccccc1 ZINC000000038648 179250816 /nfs/dbraw/zinc/25/08/16/179250816.db2.gz SQDLPGKVRZFDKW-UHFFFAOYSA-N 0 0 225.291 2.925 50 0 BFAARN Cc1ccccc1C(=O)NCc1cccs1 ZINC000005172393 179251111 /nfs/dbraw/zinc/25/11/11/179251111.db2.gz SWGSGDGYLWPRBA-UHFFFAOYSA-N 0 0 231.320 2.987 50 0 BFAARN Cc1ccccc1C(=O)Nc1ccccn1 ZINC000000304662 179251986 /nfs/dbraw/zinc/25/19/86/179251986.db2.gz MRKIJNKNOOCNBP-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN CCO[C@H](CNC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000194194470 347527986 /nfs/dbraw/zinc/52/79/86/347527986.db2.gz TWCRWVUIKITSDZ-IACUBPJLSA-N 0 0 247.338 2.536 50 0 BFAARN Cc1ccccc1C(=O)c1ccc(O)c(C)c1O ZINC000000345840 179253997 /nfs/dbraw/zinc/25/39/97/179253997.db2.gz OEYUQGVMDMJBNO-UHFFFAOYSA-N 0 0 242.274 2.946 50 0 BFAARN Cc1ccccc1CC(=O)NCc1ccccc1 ZINC000006731128 179259294 /nfs/dbraw/zinc/25/92/94/179259294.db2.gz AJZYRYFIKTWSMW-UHFFFAOYSA-N 0 0 239.318 2.854 50 0 BFAARN Cc1ccccc1CCNC(=O)c1ccccc1 ZINC000014244974 179265297 /nfs/dbraw/zinc/26/52/97/179265297.db2.gz YFOOXXIPDIKVDR-UHFFFAOYSA-N 0 0 239.318 2.968 50 0 BFAARN Fc1ccc(-c2nnc3ccccn32)cc1 ZINC000000135055 347548843 /nfs/dbraw/zinc/54/88/43/347548843.db2.gz MYVCXARJBZTJOH-UHFFFAOYSA-N 0 0 213.215 2.535 50 0 BFAARN CCOCC(=O)Nc1ccc(C2CC2)c(F)c1 ZINC000195580105 347642491 /nfs/dbraw/zinc/64/24/91/347642491.db2.gz DMAHSXXRBHQUAZ-UHFFFAOYSA-N 0 0 237.274 2.678 50 0 BFAARN Cc1ocnc1C(=O)O[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000195566669 347647275 /nfs/dbraw/zinc/64/72/75/347647275.db2.gz BAIDLEJPJNDPQY-WCABBAIRSA-N 0 0 237.299 2.965 50 0 BFAARN Cc1occc1Sc1ccnc(C)n1 ZINC000195566588 347647307 /nfs/dbraw/zinc/64/73/07/347647307.db2.gz WTBBPBRRZSRMOG-UHFFFAOYSA-N 0 0 206.270 2.838 50 0 BFAARN Cc1csc([C@H](C)OC(=O)c2cccnc2)n1 ZINC000195572021 347648148 /nfs/dbraw/zinc/64/81/48/347648148.db2.gz CTIZZKVBXMYOFC-VIFPVBQESA-N 0 0 248.307 2.765 50 0 BFAARN Cc1c(N[C@H](C)[C@H]2CCOC2)cccc1N(C)C ZINC000195116021 347606151 /nfs/dbraw/zinc/60/61/51/347606151.db2.gz MMXMMIKEZBLJSO-OLZOCXBDSA-N 0 0 248.370 2.898 50 0 BFAARN Cc1ccccc1CNC(=O)[C@@H]1CC=CCC1 ZINC000032678653 179279712 /nfs/dbraw/zinc/27/97/12/179279712.db2.gz KCMVJPQXWTWPGW-CYBMUJFWSA-N 0 0 229.323 2.968 50 0 BFAARN Cc1ccc2sc(N3CCOCC3)nc2c1C ZINC000012230070 347765417 /nfs/dbraw/zinc/76/54/17/347765417.db2.gz WDDBRAIOQOCWMM-UHFFFAOYSA-N 0 0 248.351 2.750 50 0 BFAARN Cc1ccccc1COC(=O)c1cccn1C ZINC000008944335 179286264 /nfs/dbraw/zinc/28/62/64/179286264.db2.gz QGTQFBSSXKGPRT-UHFFFAOYSA-N 0 0 229.279 2.691 50 0 BFAARN Cc1ccccc1I ZINC000001672846 179294060 /nfs/dbraw/zinc/29/40/60/179294060.db2.gz RINOYHWVBUKAQE-UHFFFAOYSA-N 0 0 218.037 2.600 50 0 in-vitro BFAARN Cc1ccccc1NC(=O)[C@@H](C)OCC(C)C ZINC000040521122 179301521 /nfs/dbraw/zinc/30/15/21/179301521.db2.gz QYRSETIZDZOFAJ-GFCCVEGCSA-N 0 0 235.327 2.995 50 0 BFAARN Cc1ccccc1NC(=O)c1ccc(N)cc1 ZINC000000262147 179303723 /nfs/dbraw/zinc/30/37/23/179303723.db2.gz HARHPNGPIOLPBW-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN Cc1noc2ncnc(Nc3ccccc3C)c12 ZINC000021714733 179308294 /nfs/dbraw/zinc/30/82/94/179308294.db2.gz SGFHZYODRPBQKO-UHFFFAOYSA-N 0 0 240.266 2.978 50 0 BFAARN Cc1ccccc1OCC(=O)N1CCC(C)CC1 ZINC000000478715 179308969 /nfs/dbraw/zinc/30/89/69/179308969.db2.gz SZJMSHZTOYKAQK-UHFFFAOYSA-N 0 0 247.338 2.632 50 0 BFAARN Cc1ccccc1S(=O)(=O)c1ccccc1 ZINC000000348820 179315121 /nfs/dbraw/zinc/31/51/21/179315121.db2.gz UJHQTIAOYSYPHZ-UHFFFAOYSA-N 0 0 232.304 2.828 50 0 BFAARN Cc1ccccc1OCc1csc(N)n1 ZINC000003885561 179312698 /nfs/dbraw/zinc/31/26/98/179312698.db2.gz MSHDHYZYZVVVPP-UHFFFAOYSA-N 0 0 220.297 2.613 50 0 BFAARN Cc1ccccc1O[C@@H](C)C(=O)NCC(C)C ZINC000000364752 179313263 /nfs/dbraw/zinc/31/32/63/179313263.db2.gz PIFSDKQPFKPPJF-LBPRGKRZSA-N 0 0 235.327 2.535 50 0 BFAARN Cc1ccccc1[C@@H]1NC(=O)Cc2ccccc21 ZINC000000435258 179331575 /nfs/dbraw/zinc/33/15/75/179331575.db2.gz RHXWVLGYRAMFHP-INIZCTEOSA-N 0 0 237.302 2.757 50 0 BFAARN Cc1ccccc1[C@H]1CCC[N@@H+]1CCCC(=O)[O-] ZINC000116360025 179347765 /nfs/dbraw/zinc/34/77/65/179347765.db2.gz RWANTCOMYFULSG-CQSZACIVSA-N 0 0 247.338 2.997 50 0 BFAARN Oc1ccc2c(Br)cncc2c1 ZINC000220446196 348067491 /nfs/dbraw/zinc/06/74/91/348067491.db2.gz DWNWBRUGWWTJQN-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCC(=O)[O-])C1 ZINC000237577239 179349662 /nfs/dbraw/zinc/34/96/62/179349662.db2.gz PPCNVSVVZCRYBX-STQMWFEESA-N 0 0 247.338 2.648 50 0 BFAARN Cc1cccnc1-c1ccnc(Cl)n1 ZINC000036719726 179356170 /nfs/dbraw/zinc/35/61/70/179356170.db2.gz LELROZILQOFBPF-UHFFFAOYSA-N 0 0 205.648 2.500 50 0 BFAARN Cc1cccnc1C(=O)c1c(F)cccc1F ZINC000045028691 179366683 /nfs/dbraw/zinc/36/66/83/179366683.db2.gz KNWDRGVQNOEQFV-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1cccnc1NC(=O)CCC(C)C ZINC000044896927 179388961 /nfs/dbraw/zinc/38/89/61/179388961.db2.gz VPVYVPGHJBMBEN-UHFFFAOYSA-N 0 0 206.289 2.765 50 0 BFAARN Cc1cccnc1NC(=O)/C=C\c1ccco1 ZINC000033286094 179389122 /nfs/dbraw/zinc/38/91/22/179389122.db2.gz BOWOEEWEUSYCHP-SREVYHEPSA-N 0 0 228.251 2.635 50 0 BFAARN Cc1cccnc1NC(=O)OC(C)(C)C ZINC000012478442 179392477 /nfs/dbraw/zinc/39/24/77/179392477.db2.gz MJPLUXLNYQHWIU-UHFFFAOYSA-N 0 0 208.261 2.737 50 0 BFAARN Cc1cccnc1NC(=O)c1ccc(Cl)o1 ZINC000012536830 179393847 /nfs/dbraw/zinc/39/38/47/179393847.db2.gz LWYCYVXGVLVBMZ-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000038537734 179399559 /nfs/dbraw/zinc/39/95/59/179399559.db2.gz HQNNVHWAUQVTKE-UHFFFAOYSA-N 0 0 237.100 2.943 50 0 BFAARN Cc1ccn(C/C=C/c2ccccc2)c(=O)c1 ZINC000069816760 179408219 /nfs/dbraw/zinc/40/82/19/179408219.db2.gz WBKCPOBNFJGNNM-VMPITWQZSA-N 0 0 225.291 2.870 50 0 BFAARN Cc1ccn([C@H](C)CC(=O)Nc2ccccc2)n1 ZINC000020991552 179411636 /nfs/dbraw/zinc/41/16/36/179411636.db2.gz RXPQZJYMWGNTIV-GFCCVEGCSA-N 0 0 243.310 2.781 50 0 BFAARN Cc1ccnc(NC(=O)Cc2cccc(F)c2)c1 ZINC000027645811 179435331 /nfs/dbraw/zinc/43/53/31/179435331.db2.gz HUXQGPSFSRUWNB-UHFFFAOYSA-N 0 0 244.269 2.710 50 0 BFAARN Cc1cnc(C(=O)Nc2ccc(C)c(C)c2)cn1 ZINC000008750875 179578530 /nfs/dbraw/zinc/57/85/30/179578530.db2.gz RLBOKTZJNSKPSG-UHFFFAOYSA-N 0 0 241.294 2.654 50 0 BFAARN Cc1cnc(NC(=O)C2CCCCC2)s1 ZINC000000253448 179624842 /nfs/dbraw/zinc/62/48/42/179624842.db2.gz XZSYUCKPNABQKO-UHFFFAOYSA-N 0 0 224.329 2.970 50 0 BFAARN Cc1cnc(NC(=O)OCc2ccccc2)cn1 ZINC000038537116 179627819 /nfs/dbraw/zinc/62/78/19/179627819.db2.gz DYKSQZLJHRCKSV-UHFFFAOYSA-N 0 0 243.266 2.534 50 0 BFAARN COC(=O)c1ccc(Cl)c2[nH]ccc21 ZINC000026893186 490193686 /nfs/dbraw/zinc/19/36/86/490193686.db2.gz YMAVXLSGYDNOML-UHFFFAOYSA-N 0 0 209.632 2.608 50 0 BFAARN Cc1cnccc1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC000222787304 179696675 /nfs/dbraw/zinc/69/66/75/179696675.db2.gz ACVDURQKXLFPME-CYBMUJFWSA-N 0 0 244.338 2.705 50 0 BFAARN CC(=O)c1cnc(Nc2ccccc2)nc1C ZINC000009096639 190978379 /nfs/dbraw/zinc/97/83/79/190978379.db2.gz BEMPXOFPXGKMEP-UHFFFAOYSA-N 0 0 227.267 2.731 50 0 BFAARN C/C=C(\C)C(=O)N1C(=O)OC[C@H]1c1ccccc1 ZINC000005494764 190975435 /nfs/dbraw/zinc/97/54/35/190975435.db2.gz LDIIPTCOJPBEGB-IYMAKHKGSA-N 0 0 245.278 2.673 50 0 BFAARN Cc1[nH]nc(N)c1-c1ccc(Cl)cc1 ZINC000004660540 179835911 /nfs/dbraw/zinc/83/59/11/179835911.db2.gz PIYGPVNFVWLQAG-UHFFFAOYSA-N 0 0 207.664 2.621 50 0 BFAARN BrC1=NO[C@@H](c2ccccc2)C1 ZINC000030678664 190983329 /nfs/dbraw/zinc/98/33/29/190983329.db2.gz LNXKJBBQEFYTQV-MRVPVSSYSA-N 0 0 226.073 2.856 50 0 BFAARN CNc1cc(Br)ccc1F ZINC000036533379 190987087 /nfs/dbraw/zinc/98/70/87/190987087.db2.gz CICFTLHOMUTOBN-UHFFFAOYSA-N 0 0 204.042 2.630 50 0 BFAARN Cc1nc(CC(=O)Nc2ccccc2C)cs1 ZINC000007995479 179928836 /nfs/dbraw/zinc/92/88/36/179928836.db2.gz VSFWKXCVCLXOSO-UHFFFAOYSA-N 0 0 246.335 2.941 50 0 BFAARN Cc1nc(CNc2cccc(Cl)c2C)no1 ZINC000075108491 179976018 /nfs/dbraw/zinc/97/60/18/179976018.db2.gz DXFBTCJMDJZDFF-UHFFFAOYSA-N 0 0 237.690 2.952 50 0 BFAARN O=C(CCC/C=C\CO)c1ccccc1 ZINC000039039573 323236194 /nfs/dbraw/zinc/23/61/94/323236194.db2.gz JZZMSZRGIRIFBY-UQCOIBPSSA-N 0 0 204.269 2.588 50 0 BFAARN CCCc1c(Cl)nc2ccc(C)cn2c1=O ZINC000725245925 538050344 /nfs/dbraw/zinc/05/03/44/538050344.db2.gz ZLTAZMLKPSSZJO-UHFFFAOYSA-N 0 0 236.702 2.609 50 0 BFAARN Cc1noc2nc(C)nc(NC3CCCC3)c12 ZINC000035479078 180015546 /nfs/dbraw/zinc/01/55/46/180015546.db2.gz NYTGYIVPJZASJK-UHFFFAOYSA-N 0 0 232.287 2.589 50 0 BFAARN Cc1nc(OC(C)C)ccc1Br ZINC000065337562 180026614 /nfs/dbraw/zinc/02/66/14/180026614.db2.gz GYOFZTOVTHSQLP-UHFFFAOYSA-N 0 0 230.105 2.940 50 0 BFAARN COc1ccc(F)c(-c2nnc(C3CCC3)[nH]2)c1 ZINC000426370358 191023810 /nfs/dbraw/zinc/02/38/10/191023810.db2.gz XQWDBUVZJWRHIR-UHFFFAOYSA-N 0 0 247.273 2.887 50 0 BFAARN Cc1nc2cc(CO)ccc2n1-c1ccccc1 ZINC000000226165 180080200 /nfs/dbraw/zinc/08/02/00/180080200.db2.gz URRVOLBWCPZKPW-UHFFFAOYSA-N 0 0 238.290 2.826 50 0 BFAARN O=C(Cc1ccc(F)cc1)Nc1ccncc1F ZINC000132239957 191027481 /nfs/dbraw/zinc/02/74/81/191027481.db2.gz URDVINJVTBWXRX-UHFFFAOYSA-N 0 0 248.232 2.541 50 0 BFAARN Cc1nc2c(cnn2-c2ccccc2)c(=S)[nH]1 ZINC000005730851 180070438 /nfs/dbraw/zinc/07/04/38/180070438.db2.gz QFKKQRAXWCUWTD-UHFFFAOYSA-N 0 0 242.307 2.787 50 0 BFAARN Cc1nc2ccccc2n1CC(=O)C(C)(C)C ZINC000032666275 180103513 /nfs/dbraw/zinc/10/35/13/180103513.db2.gz RVKGYBSBOZNEPM-UHFFFAOYSA-N 0 0 230.311 2.960 50 0 BFAARN Cc1nc2sc3c(c2c2ncnn21)CCCC3 ZINC000000535276 180117520 /nfs/dbraw/zinc/11/75/20/180117520.db2.gz WNFSSRDFJCDUAP-UHFFFAOYSA-N 0 0 244.323 2.526 50 0 BFAARN Cc1nccn1COC(=O)OC1CCCCC1 ZINC000097375599 180265014 /nfs/dbraw/zinc/26/50/14/180265014.db2.gz FSAMDIVJSLUKOH-UHFFFAOYSA-N 0 0 238.287 2.635 50 0 BFAARN COCc1ccc2ccccc2c1C=O ZINC000040448984 350364626 /nfs/dbraw/zinc/36/46/26/350364626.db2.gz OGVBVWZKEFNOEJ-UHFFFAOYSA-N 0 0 200.237 2.799 50 0 BFAARN CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C[C@@H]1C ZINC000040462410 350364630 /nfs/dbraw/zinc/36/46/30/350364630.db2.gz IUBOXIMXFNQZKZ-GXFFZTMASA-N 0 0 235.302 2.830 50 0 BFAARN Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H](CCCO)N2 ZINC000601008693 350329262 /nfs/dbraw/zinc/32/92/62/350329262.db2.gz SDLWMEYMPKDXIK-NJZAAPMLSA-N 0 0 247.338 2.639 50 0 BFAARN CC[C@@H](C)NC(=O)c1cc(C(C)C)nn1CC ZINC000040505569 350370707 /nfs/dbraw/zinc/37/07/07/350370707.db2.gz NSVWMUYGINTZMM-SNVBAGLBSA-N 0 0 237.347 2.555 50 0 BFAARN Cc1ncsc1C(=O)NCc1ccc(C)cc1 ZINC000040529050 350373079 /nfs/dbraw/zinc/37/30/79/350373079.db2.gz FEVSNGNZRJPJQV-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN Fc1ccc(-c2cccc3nncn32)cc1 ZINC000030822742 350375781 /nfs/dbraw/zinc/37/57/81/350375781.db2.gz LWWFLFOEUDCILW-UHFFFAOYSA-N 0 0 213.215 2.535 50 0 BFAARN Cc1nn(-c2ccccc2)cc1-c1cc[nH]n1 ZINC000067614252 180330873 /nfs/dbraw/zinc/33/08/73/180330873.db2.gz XCGTXBLJTOMHFB-UHFFFAOYSA-N 0 0 224.267 2.571 50 0 BFAARN Cc1nn(-c2ccccn2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000012341492 180331214 /nfs/dbraw/zinc/33/12/14/180331214.db2.gz RIMGAEPYRPNVBQ-QMTHXVAHSA-N 0 0 239.322 2.871 50 0 BFAARN Cc1nn(C(=O)OC(C)(C)C)c2ccncc12 ZINC000089219992 180331957 /nfs/dbraw/zinc/33/19/57/180331957.db2.gz HDNIJXKDCMMNPM-UHFFFAOYSA-N 0 0 233.271 2.523 50 0 BFAARN CC(C)C(=O)N1CCc2sccc2[C@H]1C ZINC000032845624 350433155 /nfs/dbraw/zinc/43/31/55/350433155.db2.gz PZISSVJDEKOXEE-SECBINFHSA-N 0 0 223.341 2.850 50 0 BFAARN CC(C)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000032903888 350437442 /nfs/dbraw/zinc/43/74/42/350437442.db2.gz WVRYGEVLVWAFDK-RYUDHWBXSA-N 0 0 209.333 2.824 50 0 BFAARN Cc1nn(C)c2cccc(Br)c12 ZINC000036533424 180363806 /nfs/dbraw/zinc/36/38/06/180363806.db2.gz UYDBSDZCDWTRGM-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Cc1cnc(NC(=O)/C=C\c2ccco2)s1 ZINC000033470380 350453620 /nfs/dbraw/zinc/45/36/20/350453620.db2.gz WXHNWRSVJRWAET-PLNGDYQASA-N 0 0 234.280 2.696 50 0 BFAARN CC(C)=CC(=O)N1CCOC[C@H]1c1ccccc1 ZINC000076068306 362964984 /nfs/dbraw/zinc/96/49/84/362964984.db2.gz ZERBPDKPUXZRFH-AWEZNQCLSA-N 0 0 245.322 2.553 50 0 BFAARN CC(C)N1C(=O)CS[C@@H]1c1ccccc1 ZINC000000277907 191108362 /nfs/dbraw/zinc/10/83/62/191108362.db2.gz HXSXRBBKEPKDKT-GFCCVEGCSA-N 0 0 221.325 2.669 50 0 BFAARN Cc1nnc(CSCc2cnc(C)s2)o1 ZINC000096467854 180417828 /nfs/dbraw/zinc/41/78/28/180417828.db2.gz SRAMVZNTTYOFQJ-UHFFFAOYSA-N 0 0 241.341 2.576 50 0 BFAARN O=C1NC(=O)C(=Cc2cccc(Cl)c2)S1 ZINC000012408977 350556567 /nfs/dbraw/zinc/55/65/67/350556567.db2.gz DTXPSQFSJWKKSG-YVMONPNESA-N 0 0 239.683 2.664 50 0 BFAARN Cc1ccccc1[C@@H](O)CSc1nccn1C ZINC000076081913 362967421 /nfs/dbraw/zinc/96/74/21/362967421.db2.gz RWBCVXIXIGTZSS-LBPRGKRZSA-N 0 0 248.351 2.554 50 0 BFAARN Cc1noc(C(C)(C)COCc2ccccc2)n1 ZINC000252500011 180460828 /nfs/dbraw/zinc/46/08/28/180460828.db2.gz SLWVFASMQZECGS-UHFFFAOYSA-N 0 0 246.310 2.872 50 0 BFAARN Cc1noc(C(C)C)c1C(=O)Nc1cccnc1 ZINC000024332639 180462270 /nfs/dbraw/zinc/46/22/70/180462270.db2.gz LMUZNYGEOQYJGI-UHFFFAOYSA-N 0 0 245.282 2.754 50 0 BFAARN CC(=O)N(c1ccccc1)[C@H](C)C1CC1 ZINC000000392692 191117092 /nfs/dbraw/zinc/11/70/92/191117092.db2.gz IPPIQXVCIYXHBG-SNVBAGLBSA-N 0 0 203.285 2.838 50 0 BFAARN C/C=C(/SC)S(=O)(=O)c1ccc(C)cc1 ZINC000000478232 191116923 /nfs/dbraw/zinc/11/69/23/191116923.db2.gz GACPUYIAZRTGAD-WCIBSUBMSA-N 0 0 242.365 2.993 50 0 BFAARN CCCCCCC(=O)Nc1ccncc1 ZINC000002895859 168646684 /nfs/dbraw/zinc/64/66/84/168646684.db2.gz BRTXHVUJJJMBEQ-UHFFFAOYSA-N 0 0 206.289 2.991 50 0 BFAARN CC(C)C(=O)c1cc(F)cc(F)c1O ZINC000052068539 350901833 /nfs/dbraw/zinc/90/18/33/350901833.db2.gz XZIBIHUKCYPJFJ-UHFFFAOYSA-N 0 0 200.184 2.509 50 0 BFAARN Cc1occc1C(=O)Nc1cccc(O)c1 ZINC000000446426 180538844 /nfs/dbraw/zinc/53/88/44/180538844.db2.gz RYFXYSCKNZGIME-UHFFFAOYSA-N 0 0 217.224 2.546 50 0 BFAARN C/C=C\C(=O)N1c2ccccc2C=C[C@H]1C#N ZINC000005823565 351163366 /nfs/dbraw/zinc/16/33/66/351163366.db2.gz NCOHVZHKOSNEBL-PZBKNZOISA-N 0 0 224.263 2.515 50 0 BFAARN C/C=C\C(=O)N1c2ccccc2C=C[C@@H]1C#N ZINC000005823564 351163467 /nfs/dbraw/zinc/16/34/67/351163467.db2.gz NCOHVZHKOSNEBL-BXETVTBUSA-N 0 0 224.263 2.515 50 0 BFAARN Cc1ccc(N(C)C)cc1Br ZINC000036156118 358460516 /nfs/dbraw/zinc/46/05/16/358460516.db2.gz RNEQCYGENLFWKX-UHFFFAOYSA-N 0 0 214.106 2.824 50 0 BFAARN Clc1ccc(Nc2ncccn2)cc1 ZINC000041090767 180583432 /nfs/dbraw/zinc/58/34/32/180583432.db2.gz YPUAFOARVDJZIY-UHFFFAOYSA-N 0 0 205.648 2.874 50 0 BFAARN CCCc1c(C)nc(-c2ccccc2)[nH]c1=O ZINC000005919301 351309677 /nfs/dbraw/zinc/30/96/77/351309677.db2.gz DZHCWTOAXZGSCK-UHFFFAOYSA-N 0 0 228.295 2.698 50 0 BFAARN CSc1ccc(C(=O)N2CCCC2)cc1 ZINC000032674557 191134571 /nfs/dbraw/zinc/13/45/71/191134571.db2.gz VTBULWUXKLPQFI-UHFFFAOYSA-N 0 0 221.325 2.645 50 0 BFAARN Cc1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)no1 ZINC000041591599 351361116 /nfs/dbraw/zinc/36/11/16/351361116.db2.gz AZZZYRWGWNOQJN-VXGBXAGGSA-N 0 0 248.326 2.635 50 0 BFAARN Clc1ccn2c(Br)cnc2c1 ZINC000038537196 180596942 /nfs/dbraw/zinc/59/69/42/180596942.db2.gz LBPZKTZBYAXZDD-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN Clc1cncc(OC2CCCCC2)n1 ZINC000019415681 180599072 /nfs/dbraw/zinc/59/90/72/180599072.db2.gz DUDGGTHYIYRRCI-UHFFFAOYSA-N 0 0 212.680 2.842 50 0 BFAARN COC(=O)CNc1cc(Cl)ccc1SC ZINC000064399101 191137410 /nfs/dbraw/zinc/13/74/10/191137410.db2.gz XHPINCNVUALJRU-UHFFFAOYSA-N 0 0 245.731 2.647 50 0 BFAARN Clc1ncnc2c1ncn2Cc1ccccc1 ZINC000001622239 180603089 /nfs/dbraw/zinc/60/30/89/180603089.db2.gz NKEFCVAMNJICJZ-UHFFFAOYSA-N 0 0 244.685 2.528 50 0 in-vitro BFAARN COC(=O)CCCc1c[nH]c2ccccc12 ZINC000000410211 351797567 /nfs/dbraw/zinc/79/75/67/351797567.db2.gz ZEJUFCOACOWDPP-UHFFFAOYSA-N 0 0 217.268 2.664 50 0 BFAARN Cc1ccc(NC(=O)c2ccsc2)nc1 ZINC000012526712 351898333 /nfs/dbraw/zinc/89/83/33/351898333.db2.gz FRZBSGZDODISJD-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN COc1ccc(Cc2noc(C3(C)CC3)n2)cc1 ZINC000032540705 187546564 /nfs/dbraw/zinc/54/65/64/187546564.db2.gz XJFQQXASBHPXBA-UHFFFAOYSA-N 0 0 244.294 2.721 50 0 BFAARN CCCCS(=O)(=O)Nc1cccc(CC)c1 ZINC000006706559 363098727 /nfs/dbraw/zinc/09/87/27/363098727.db2.gz PXKBYZHKRCHSIZ-UHFFFAOYSA-N 0 0 241.356 2.791 50 0 BFAARN CN1C(=O)c2ccccc2NC12CCCCC2 ZINC000012537566 351998905 /nfs/dbraw/zinc/99/89/05/351998905.db2.gz HADACUPPUYPQJX-UHFFFAOYSA-N 0 0 230.311 2.845 50 0 BFAARN CC(C)[C@@H]1CN(C(=O)c2ccccc2)CCS1 ZINC000076067620 187617507 /nfs/dbraw/zinc/61/75/07/187617507.db2.gz IAPZYGUSVVKTBP-ZDUSSCGKSA-N 0 0 249.379 2.900 50 0 BFAARN C[P@@](N)(=O)Oc1ccc(Cl)cc1 ZINC000091270666 187626339 /nfs/dbraw/zinc/62/63/39/187626339.db2.gz CTAMQMLQLNBRGK-GFCCVEGCSA-N 0 0 205.581 2.500 50 0 BFAARN CC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000095401960 187627728 /nfs/dbraw/zinc/62/77/28/187627728.db2.gz USMVQQYAXDYDFX-RNCFNFMXSA-N 0 0 221.275 2.755 50 0 BFAARN COc1cc(C(=O)NCc2ccco2)ccc1C ZINC000017305042 363140885 /nfs/dbraw/zinc/14/08/85/363140885.db2.gz OHCOICWOQRUARG-UHFFFAOYSA-N 0 0 245.278 2.527 50 0 BFAARN COc1nccc(C(F)(F)F)c1Cl ZINC000098181591 187674848 /nfs/dbraw/zinc/67/48/48/187674848.db2.gz BTQBEVHCKDNJMM-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN Cc1cc(C(=O)NCCCC2CCCC2)on1 ZINC000044633170 352376778 /nfs/dbraw/zinc/37/67/78/352376778.db2.gz MAKNOPQVAWDZOY-UHFFFAOYSA-N 0 0 236.315 2.683 50 0 BFAARN Brc1cscc1-c1cc[nH]n1 ZINC000725272439 538104275 /nfs/dbraw/zinc/10/42/75/538104275.db2.gz FICRGRLXYJJLKQ-UHFFFAOYSA-N 0 0 229.102 2.901 50 0 BFAARN O=C(c1cccc(OC(F)F)c1)N1CCCC1 ZINC000012618707 352518807 /nfs/dbraw/zinc/51/88/07/352518807.db2.gz QMPPJSLSSNKMLH-UHFFFAOYSA-N 0 0 241.237 2.524 50 0 BFAARN CC[C@]1(C)C[C@]2(C=C[C@@H](O)CC2)CCO1 ZINC000004026244 352588771 /nfs/dbraw/zinc/58/87/71/352588771.db2.gz MEELPUOSODYWIN-UPJWGTAASA-N 0 0 210.317 2.663 50 0 biogenic BFAARN C[C@H]([NH3+])CCCCCCCCC(=O)[O-] ZINC000004026900 352590496 /nfs/dbraw/zinc/59/04/96/352590496.db2.gz DWHXNKJKNIHNOI-JTQLQIEISA-N 0 0 201.310 2.539 50 0 biogenic BFAARN CC(C)n1ccnc1CN[C@H](C)CC(F)(F)F ZINC000534659681 352599285 /nfs/dbraw/zinc/59/92/85/352599285.db2.gz HSJZMIOWULJDOS-SECBINFHSA-N 0 0 249.280 2.895 50 0 BFAARN CC(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000045442664 352714919 /nfs/dbraw/zinc/71/49/19/352714919.db2.gz HXFXYSLGEXMEGK-QMMMGPOBSA-N 0 0 211.692 2.879 50 0 BFAARN CC(C)Cn1c(C=O)nc2ccccc21 ZINC000000305529 187924436 /nfs/dbraw/zinc/92/44/36/187924436.db2.gz YSSSSYAZMZMSNB-UHFFFAOYSA-N 0 0 202.257 2.505 50 0 BFAARN CC1(C)OC(=O)N2CCc3ccccc3[C@@]21C ZINC000000139767 187924497 /nfs/dbraw/zinc/92/44/97/187924497.db2.gz KNBXITQUNJWIRE-CQSZACIVSA-N 0 0 231.295 2.689 50 0 BFAARN CC(=O)N(C)c1ccc(Cl)cc1Cl ZINC000000128993 187925128 /nfs/dbraw/zinc/92/51/28/187925128.db2.gz NVSSRRQIUAFBIU-UHFFFAOYSA-N 0 0 218.083 2.976 50 0 BFAARN CC(C)(C)c1nc(N)sc1Br ZINC000000140504 187925171 /nfs/dbraw/zinc/92/51/71/187925171.db2.gz ACKLPWWFGUPXSM-UHFFFAOYSA-N 0 0 235.150 2.785 50 0 BFAARN Clc1nc(Cl)n(Cc2ccccc2)n1 ZINC000042384381 187947544 /nfs/dbraw/zinc/94/75/44/187947544.db2.gz LPEUFQNMMYSQFT-UHFFFAOYSA-N 0 0 228.082 2.633 50 0 BFAARN CSc1ccc(CN(C)C(=O)C2CC2)cc1 ZINC000040457440 187945094 /nfs/dbraw/zinc/94/50/94/187945094.db2.gz DYACZWVADSNVLB-UHFFFAOYSA-N 0 0 235.352 2.777 50 0 BFAARN CCCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000005439712 352998186 /nfs/dbraw/zinc/99/81/86/352998186.db2.gz SFAUUELBTVXYAQ-UHFFFAOYSA-N 0 0 246.310 2.552 50 0 BFAARN Cn1nccc1-c1cccc(Br)c1 ZINC000012370651 180828721 /nfs/dbraw/zinc/82/87/21/180828721.db2.gz RIYUQLBSAMXENJ-UHFFFAOYSA-N 0 0 237.100 2.850 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000152740450 538106930 /nfs/dbraw/zinc/10/69/30/538106930.db2.gz BGWHGSUFDVQZRR-FVCCEPFGSA-N 0 0 221.344 2.824 50 0 BFAARN CC(C)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000001284117 353126810 /nfs/dbraw/zinc/12/68/10/353126810.db2.gz LCEWNOJXBYPNKU-AWEZNQCLSA-N 0 0 247.338 2.719 50 0 BFAARN CC(C)(C)[C@H](O)CNc1ccncc1Cl ZINC000096454012 188016539 /nfs/dbraw/zinc/01/65/39/188016539.db2.gz ZYHSGCVXUNVGMM-SNVBAGLBSA-N 0 0 228.723 2.554 50 0 BFAARN C/C=C/C=C\C(=O)Nc1cccc(C(=O)OC)c1 ZINC000096654219 188016682 /nfs/dbraw/zinc/01/66/82/188016682.db2.gz AGXPFIDQRQRMER-BEHOXYOFSA-N 0 0 245.278 2.544 50 0 BFAARN CC(C)(C)c1nnc(NCc2ccccn2)s1 ZINC000269301319 188024026 /nfs/dbraw/zinc/02/40/26/188024026.db2.gz ULAWHRUUEYVSDZ-UHFFFAOYSA-N 0 0 248.355 2.843 50 0 BFAARN CC(=O)c1ccc(N[C@H](C)c2ccncc2)nc1 ZINC000193373117 188004325 /nfs/dbraw/zinc/00/43/25/188004325.db2.gz GZQURVZCTOBDQQ-SNVBAGLBSA-N 0 0 241.294 2.852 50 0 BFAARN CCC(CC)C(=O)N[C@@H](COC)c1ccco1 ZINC000193119216 188004327 /nfs/dbraw/zinc/00/43/27/188004327.db2.gz SCPFMGKJIJPMNZ-NSHDSACASA-N 0 0 239.315 2.520 50 0 BFAARN CC(C)[C@@H]1OCCN1[C@@H](C)CCCC(C)(C)O ZINC000019947191 188004959 /nfs/dbraw/zinc/00/49/59/188004959.db2.gz RDSYFMCJZMLINT-STQMWFEESA-N 0 0 243.391 2.630 50 0 BFAARN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cn1 ZINC000032903802 188050493 /nfs/dbraw/zinc/05/04/93/188050493.db2.gz KHAILMGSZQWCER-PHIMTYICSA-N 0 0 232.327 2.508 50 0 BFAARN CCCCCNC(=O)Nc1cccc2c[nH]nc21 ZINC000096133828 168709744 /nfs/dbraw/zinc/70/97/44/168709744.db2.gz ISRDXWRUJRZDBX-UHFFFAOYSA-N 0 0 246.314 2.875 50 0 BFAARN C[C@]1(C(=O)Nc2ccccc2O)CCCS1 ZINC000095442656 538110727 /nfs/dbraw/zinc/11/07/27/538110727.db2.gz HGRXRRRDOHEJIR-GFCCVEGCSA-N 0 0 237.324 2.616 50 0 BFAARN FC(F)(F)CCc1nc(-c2cccnc2)no1 ZINC000065504203 180882023 /nfs/dbraw/zinc/88/20/23/180882023.db2.gz HUORLQFRLPXSDN-UHFFFAOYSA-N 0 0 243.188 2.627 50 0 BFAARN CCCCCNC(=O)c1ccccc1OC ZINC000006042330 168713467 /nfs/dbraw/zinc/71/34/67/168713467.db2.gz YTKJZAGRFNRBDL-UHFFFAOYSA-N 0 0 221.300 2.615 50 0 BFAARN FC(F)(F)c1ccc(-c2nnco2)cc1 ZINC000004091789 180892270 /nfs/dbraw/zinc/89/22/70/180892270.db2.gz VIXOOTOYIUQAMC-UHFFFAOYSA-N 0 0 214.146 2.755 50 0 BFAARN FC1(F)CC(CSc2nncs2)C1 ZINC000295035941 180914308 /nfs/dbraw/zinc/91/43/08/180914308.db2.gz SIGDCOMAHNEFIA-UHFFFAOYSA-N 0 0 222.285 2.676 50 0 BFAARN CC(C)c1ccccc1NC(=O)N(C)C ZINC000000129857 188245280 /nfs/dbraw/zinc/24/52/80/188245280.db2.gz PRVKYSZITFAWTC-UHFFFAOYSA-N 0 0 206.289 2.904 50 0 BFAARN C=C(Cl)c1c(Cl)cc(C)oc1=O ZINC000000293791 188272372 /nfs/dbraw/zinc/27/23/72/188272372.db2.gz LSGIBMQRILGOKO-UHFFFAOYSA-N 0 0 205.040 2.811 50 0 BFAARN CC(=O)Nc1ccc(C(=O)OCCC(C)C)cc1 ZINC000000080704 188272657 /nfs/dbraw/zinc/27/26/57/188272657.db2.gz PETMTNYVYIERFP-UHFFFAOYSA-N 0 0 249.310 2.848 50 0 BFAARN CC(C)Cc1nn(-c2ccccc2)cc1C=O ZINC000001422330 188272934 /nfs/dbraw/zinc/27/29/34/188272934.db2.gz YTPBEOKDVWZQDB-UHFFFAOYSA-N 0 0 228.295 2.883 50 0 BFAARN CC(=O)Nc1nc2c(cc(C)cc2C)s1 ZINC000000911969 188273007 /nfs/dbraw/zinc/27/30/07/188273007.db2.gz SUUOTEZWCINDPT-UHFFFAOYSA-N 0 0 220.297 2.872 50 0 BFAARN CC(=O)[C@H](C(=O)Nc1ccc(C)cc1)C(C)C ZINC000000432869 188273115 /nfs/dbraw/zinc/27/31/15/188273115.db2.gz KAURRZCGULMSQK-CYBMUJFWSA-N 0 0 233.311 2.795 50 0 BFAARN CC(C)CS(=O)(=O)Nc1cccc(Cl)c1 ZINC000000994037 188273661 /nfs/dbraw/zinc/27/36/61/188273661.db2.gz QCSAMMUYUPSCKJ-UHFFFAOYSA-N 0 0 247.747 2.738 50 0 BFAARN Fc1ncc(Cl)cc1Br ZINC000002539939 188274881 /nfs/dbraw/zinc/27/48/81/188274881.db2.gz FKHJIEHQWOYVQM-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN C/C=C/C=C/c1nc2ccccc2c(=O)o1 ZINC000002067601 188275158 /nfs/dbraw/zinc/27/51/58/188275158.db2.gz OOVGAFUXAXBNKE-DSXPNFDZSA-N 0 0 213.236 2.777 50 0 BFAARN Clc1nc2ccccc2c(NC2CC2)n1 ZINC000003304614 188275689 /nfs/dbraw/zinc/27/56/89/188275689.db2.gz WUJGNXBZGUWNMK-UHFFFAOYSA-N 0 0 219.675 2.858 50 0 BFAARN CC(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000003220761 188275984 /nfs/dbraw/zinc/27/59/84/188275984.db2.gz YWOLWIUDOORQKH-UHFFFAOYSA-N 0 0 215.199 2.555 50 0 BFAARN CC(=O)Nc1c(-c2ccccc2)noc1C(C)=O ZINC000004776809 188276228 /nfs/dbraw/zinc/27/62/28/188276228.db2.gz YHSGERMTCUCYLE-UHFFFAOYSA-N 0 0 244.250 2.503 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000005611232 188277285 /nfs/dbraw/zinc/27/72/85/188277285.db2.gz DJRKGPMTRJEWCF-ZANVPECISA-N 0 0 215.296 2.770 50 0 BFAARN Cc1ccc(C)c(CSc2nc[nH]n2)c1 ZINC000005737186 188277757 /nfs/dbraw/zinc/27/77/57/188277757.db2.gz BRUWSDLZNZOPKH-UHFFFAOYSA-N 0 0 219.313 2.714 50 0 BFAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1C=CC(=O)O1 ZINC000005515865 188277801 /nfs/dbraw/zinc/27/78/01/188277801.db2.gz URWJVUPZIGIVFZ-GFQSEFKGSA-N 0 0 238.327 2.903 50 0 BFAARN Cn1c(CC2CCCCC2)n[nH]c1=S ZINC000006319617 188278318 /nfs/dbraw/zinc/27/83/18/188278318.db2.gz QCXFKLJDFZTMCD-UHFFFAOYSA-N 0 0 211.334 2.600 50 0 BFAARN Cc1cccc(CSc2nsc(N)n2)c1 ZINC000009142739 188278425 /nfs/dbraw/zinc/27/84/25/188278425.db2.gz IKTIBOKEVRYDRS-UHFFFAOYSA-N 0 0 237.353 2.721 50 0 BFAARN Cc1c(N)ccc(Br)c1C ZINC000012471912 188279219 /nfs/dbraw/zinc/27/92/19/188279219.db2.gz YOBPAGXZBSWOHP-UHFFFAOYSA-N 0 0 200.079 2.648 50 0 BFAARN CCCCc1nc(-c2cccc(O)c2)no1 ZINC000026514558 188283099 /nfs/dbraw/zinc/28/30/99/188283099.db2.gz BXVMSTSHSMNINW-UHFFFAOYSA-N 0 0 218.256 2.785 50 0 BFAARN Cc1ccccc1CN(C)C(=O)c1ccco1 ZINC000033000255 188284315 /nfs/dbraw/zinc/28/43/15/188284315.db2.gz RSGCBDPMFINYLW-UHFFFAOYSA-N 0 0 229.279 2.860 50 0 BFAARN CSc1nccc(NCc2cccc(C)n2)n1 ZINC000032513794 188284388 /nfs/dbraw/zinc/28/43/88/188284388.db2.gz QVXPGEMAGJQTDQ-UHFFFAOYSA-N 0 0 246.339 2.514 50 0 BFAARN CC(C)Cc1noc(CN2CCCC[C@H]2C)n1 ZINC000040490050 188291302 /nfs/dbraw/zinc/29/13/02/188291302.db2.gz CIPXVKBTBGAKAF-LLVKDONJSA-N 0 0 237.347 2.643 50 0 BFAARN COc1ccc([C@H](NC(C)=O)C(C)C)cc1 ZINC000058263950 188302190 /nfs/dbraw/zinc/30/21/90/188302190.db2.gz RTAYKUZTGUIHBT-CYBMUJFWSA-N 0 0 221.300 2.528 50 0 BFAARN CCCC=Cc1nc(-c2ccccn2)n[nH]1 ZINC000067676335 188304437 /nfs/dbraw/zinc/30/44/37/188304437.db2.gz VDJBZGSJULXFID-XBXARRHUSA-N 0 0 214.272 2.680 50 0 BFAARN c1c[nH]c(CCn2ccnc2[C@@H]2CC=CCC2)n1 ZINC000067714420 188304480 /nfs/dbraw/zinc/30/44/80/188304480.db2.gz ZCWVYWCTTFSXHH-GFCCVEGCSA-N 0 0 242.326 2.673 50 0 BFAARN CCC/C=C/c1cc(C)cnc1-n1cnnc1 ZINC000067674569 188304703 /nfs/dbraw/zinc/30/47/03/188304703.db2.gz MJRMTGJHBXYPAH-AATRIKPKSA-N 0 0 228.299 2.784 50 0 BFAARN CNC(=O)c1cccc(O[C@H]2C=CCCC2)c1 ZINC000069629172 188305201 /nfs/dbraw/zinc/30/52/01/188305201.db2.gz VCHABDIAPAOQDV-LBPRGKRZSA-N 0 0 231.295 2.534 50 0 BFAARN CC(C)(C)OC(=O)N[C@H]1CCC(F)(F)C1 ZINC000095933009 188321716 /nfs/dbraw/zinc/32/17/16/188321716.db2.gz SCXQXMBCRMLPGO-ZETCQYMHSA-N 0 0 221.247 2.699 50 0 BFAARN CC(=O)C=C([O-])c1c(C)cc(C)cc1C ZINC000100028020 188322355 /nfs/dbraw/zinc/32/23/55/188322355.db2.gz MBZZDUHWYNESIY-UHFFFAOYSA-N 0 0 204.269 2.774 50 0 BFAARN CCC(=O)NC(C)(C)Cc1ccccc1 ZINC000040620946 188312337 /nfs/dbraw/zinc/31/23/37/188312337.db2.gz SJULVHTXOCFMMA-UHFFFAOYSA-N 0 0 205.301 2.534 50 0 BFAARN Cc1cc(C)c(Br)c(O)c1 ZINC000082382356 188312572 /nfs/dbraw/zinc/31/25/72/188312572.db2.gz FLGMCSGCDWVXMR-UHFFFAOYSA-N 0 0 201.063 2.772 50 0 BFAARN CC(C)c1ccc(C(=O)CC2OCCO2)cc1 ZINC000085652202 188316847 /nfs/dbraw/zinc/31/68/47/188316847.db2.gz AZQQHXQUCKJQSF-UHFFFAOYSA-N 0 0 234.295 2.756 50 0 BFAARN COc1ccc(Cc2noc(C3CCC3)n2)cc1 ZINC000083947404 188317376 /nfs/dbraw/zinc/31/73/76/188317376.db2.gz BLVUAMFCMULNHB-UHFFFAOYSA-N 0 0 244.294 2.937 50 0 BFAARN CC(C)=CC(=O)N[C@H](C)CCc1ccco1 ZINC000047741227 188326560 /nfs/dbraw/zinc/32/65/60/188326560.db2.gz XTYITKNPQLCKLR-LLVKDONJSA-N 0 0 221.300 2.683 50 0 BFAARN Fc1c2c(ccc1Br)NCC2 ZINC000095935687 180945457 /nfs/dbraw/zinc/94/54/57/180945457.db2.gz OYNNWZXFHIIJDG-UHFFFAOYSA-N 0 0 216.053 2.556 50 0 BFAARN O=C1SCc2c3ccsc3cnc21 ZINC000000481017 188332094 /nfs/dbraw/zinc/33/20/94/188332094.db2.gz OAZNDIVAMXYNSF-UHFFFAOYSA-N 0 0 207.279 2.683 50 0 BFAARN Fc1c(Cl)nccc1Br ZINC000067802790 180945822 /nfs/dbraw/zinc/94/58/22/180945822.db2.gz NENRVRYZBQACQZ-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN CC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000000134237 188333277 /nfs/dbraw/zinc/33/32/77/188333277.db2.gz KZYPHGNBSVPDHA-UHFFFAOYSA-N 0 0 232.308 2.692 50 0 BFAARN CC(C)(C)c1csc(NC(=O)C2CC2)n1 ZINC000000413621 188335124 /nfs/dbraw/zinc/33/51/24/188335124.db2.gz WJQJIPWZVJDCEX-UHFFFAOYSA-N 0 0 224.329 2.789 50 0 BFAARN FCCCSc1nnc(-c2ccncc2)o1 ZINC000004050226 188336958 /nfs/dbraw/zinc/33/69/58/188336958.db2.gz XSDUSRHKTLGTCP-UHFFFAOYSA-N 0 0 239.275 2.583 50 0 BFAARN CNc1ncc(C(=O)c2ccc(F)cc2)s1 ZINC000001399941 353368850 /nfs/dbraw/zinc/36/88/50/353368850.db2.gz YKYSGOJCXISTKX-UHFFFAOYSA-N 0 0 236.271 2.555 50 0 BFAARN CCn1nc(C)cc1NC(=O)C1CCCCC1 ZINC000028305686 188358469 /nfs/dbraw/zinc/35/84/69/188358469.db2.gz XPDXBTNUCGBQSV-UHFFFAOYSA-N 0 0 235.331 2.730 50 0 BFAARN C/C=C/C=C/C(=O)Nc1ccc2c(c1)CCN2 ZINC000063188022 188361447 /nfs/dbraw/zinc/36/14/47/188361447.db2.gz WLTZTOBHELMHCF-MQQKCMAXSA-N 0 0 228.295 2.725 50 0 BFAARN CCN(Cc1ccccc1)C(=O)c1ccncc1 ZINC000046082121 353403020 /nfs/dbraw/zinc/40/30/20/353403020.db2.gz MYQKIVGFEVPAHG-UHFFFAOYSA-N 0 0 240.306 2.744 50 0 BFAARN CC=CC=CC(=O)Nc1ccccc1C(C)=O ZINC000098004156 188367301 /nfs/dbraw/zinc/36/73/01/188367301.db2.gz OEIWVKNIXFBELY-STMOGGTPSA-N 0 0 229.279 2.960 50 0 BFAARN OCc1ccccc1NCc1ccccc1 ZINC000000394132 188382840 /nfs/dbraw/zinc/38/28/40/188382840.db2.gz IZVGAWSZFRYTTD-UHFFFAOYSA-N 0 0 213.280 2.791 50 0 BFAARN Fc1ccc(C2N=NC(=S)N2C2CC2)cc1 ZINC000026443331 180959553 /nfs/dbraw/zinc/95/95/53/180959553.db2.gz ITVWGJNPUKRZRF-UHFFFAOYSA-N 0 0 235.287 2.708 50 0 BFAARN Fc1cccc([C@@H]2CCCN2c2cnccn2)c1 ZINC000298698056 188396087 /nfs/dbraw/zinc/39/60/87/188396087.db2.gz DSUHASCMBKOGNE-ZDUSSCGKSA-N 0 0 243.285 2.957 50 0 BFAARN Fc1ccc(Cn2nnc3ccccc32)cc1 ZINC000000148719 180973270 /nfs/dbraw/zinc/97/32/70/180973270.db2.gz LYLXLYIBPQKLIU-UHFFFAOYSA-N 0 0 227.242 2.619 50 0 BFAARN Fc1ccc(CN2CCSCC2)cc1F ZINC000004990097 180965301 /nfs/dbraw/zinc/96/53/01/180965301.db2.gz MSQZYJIPOLUJHP-UHFFFAOYSA-N 0 0 229.295 2.514 50 0 BFAARN Cc1ccc(-c2csc(NC(N)=O)n2)cc1 ZINC000001415161 353514917 /nfs/dbraw/zinc/51/49/17/353514917.db2.gz BFZFMPZHOTUDCE-UHFFFAOYSA-N 0 0 233.296 2.609 50 0 BFAARN Fc1cccc2c1CC[C@@H]2Nc1ncccn1 ZINC000049322121 181005121 /nfs/dbraw/zinc/00/51/21/181005121.db2.gz JFOIDCIHDQCEDO-LBPRGKRZSA-N 0 0 229.258 2.715 50 0 BFAARN Fc1ccccc1-c1cnc(Cl)nc1 ZINC000047203919 181008970 /nfs/dbraw/zinc/00/89/70/181008970.db2.gz ZTHDGOABMVTBFB-UHFFFAOYSA-N 0 0 208.623 2.936 50 0 BFAARN Fc1ccccc1-c1nnc([C@@H]2CCCO2)o1 ZINC000064556899 181009192 /nfs/dbraw/zinc/00/91/92/181009192.db2.gz VFTOFLVEPTYVCU-JTQLQIEISA-N 0 0 234.230 2.727 50 0 BFAARN COC(=O)Nc1ccccc1C(F)(F)F ZINC000004794863 353737367 /nfs/dbraw/zinc/73/73/67/353737367.db2.gz QGBVXEMPWXTZNG-UHFFFAOYSA-N 0 0 219.162 2.884 50 0 BFAARN Fc1ccccc1-n1cc(Br)cn1 ZINC000016159027 181010830 /nfs/dbraw/zinc/01/08/30/181010830.db2.gz OHWIDXFFPCMKLX-UHFFFAOYSA-N 0 0 241.063 2.774 50 0 BFAARN Fc1cnc(Br)c(Cl)c1 ZINC000075759743 181016833 /nfs/dbraw/zinc/01/68/33/181016833.db2.gz NWCUOFUVPZPBKW-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN Cc1cnc(NC(=O)CCc2ccco2)s1 ZINC000012753248 353838863 /nfs/dbraw/zinc/83/88/63/353838863.db2.gz OYFOVEHAZPAIHT-UHFFFAOYSA-N 0 0 236.296 2.616 50 0 BFAARN Fc1cncc(Cl)c1Br ZINC000095761879 181020490 /nfs/dbraw/zinc/02/04/90/181020490.db2.gz KORXILCJYZLTDE-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN Fc1nc(F)c(Cl)c(Cl)c1F ZINC000034236873 181020821 /nfs/dbraw/zinc/02/08/21/181020821.db2.gz FFSXMGSDBLBXPC-UHFFFAOYSA-N 0 0 201.962 2.806 50 0 BFAARN CN(CCCCCF)c1cccc(CO)c1 ZINC000252481712 363367554 /nfs/dbraw/zinc/36/75/54/363367554.db2.gz CQUWWKORHYGXMZ-UHFFFAOYSA-N 0 0 225.307 2.755 50 0 BFAARN CC(C)C(=O)Nc1ccc2ccccc2n1 ZINC000032731941 354543020 /nfs/dbraw/zinc/54/30/20/354543020.db2.gz RATZHKHFXTZJNB-UHFFFAOYSA-N 0 0 214.268 2.829 50 0 BFAARN CCN(C(=O)[C@@H]1Cc2ccccc2S1)C1CC1 ZINC000032760938 354543524 /nfs/dbraw/zinc/54/35/24/354543524.db2.gz NBGLKEUICVWIJW-ZDUSSCGKSA-N 0 0 247.363 2.714 50 0 BFAARN Cc1occc1C(=O)N(C)Cc1cccc(F)c1 ZINC000032739286 354543733 /nfs/dbraw/zinc/54/37/33/354543733.db2.gz BIGVQQQEDAEVMD-UHFFFAOYSA-N 0 0 247.269 2.999 50 0 BFAARN Cc1cc(C(=O)NCc2ccc(C)cc2C)on1 ZINC000040069662 358488465 /nfs/dbraw/zinc/48/84/65/358488465.db2.gz NQKQYYUQQHWVAQ-UHFFFAOYSA-N 0 0 244.294 2.530 50 0 BFAARN N=C1N=C2C=CC(Cl)=CN2Cc2ccccc21 ZINC000003885443 181206921 /nfs/dbraw/zinc/20/69/21/181206921.db2.gz CLURBNVWZIGRJY-UHFFFAOYSA-N 0 0 243.697 2.876 50 0 BFAARN COC(=O)[C@H](C)Oc1cc(C)cc(C)c1C ZINC000001459108 355769469 /nfs/dbraw/zinc/76/94/69/355769469.db2.gz KWEIDPGSIAMSON-NSHDSACASA-N 0 0 222.284 2.552 50 0 BFAARN c1n[nH]cc1C12CC3CC(CC(C3)C1)C2 ZINC000006091382 355857497 /nfs/dbraw/zinc/85/74/97/355857497.db2.gz KJMFWFDGPIISAX-UHFFFAOYSA-N 0 0 202.301 2.878 50 0 BFAARN NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000012429081 181214985 /nfs/dbraw/zinc/21/49/85/181214985.db2.gz VNFVJAGKRQIORD-UHFFFAOYSA-N 0 0 223.703 2.637 50 0 BFAARN NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000098018604 181215515 /nfs/dbraw/zinc/21/55/15/181215515.db2.gz DPWVXQZUAQUZMI-UHFFFAOYSA-N 0 0 244.121 2.900 50 0 BFAARN CSc1cccc(NC(=O)c2coc(C)n2)c1 ZINC000022538247 355943525 /nfs/dbraw/zinc/94/35/25/355943525.db2.gz WZNFZFRJSGAPFS-UHFFFAOYSA-N 0 0 248.307 2.957 50 0 BFAARN NC(=O)NC1c2ccccc2Oc2ccccc21 ZINC000000406588 181256407 /nfs/dbraw/zinc/25/64/07/181256407.db2.gz WEDNBKOVRBVKBV-UHFFFAOYSA-N 0 0 240.262 2.550 50 0 BFAARN NC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000000437855 181260252 /nfs/dbraw/zinc/26/02/52/181260252.db2.gz OBBMUAXVUXGLFI-ZDUSSCGKSA-N 0 0 244.269 2.583 50 0 BFAARN NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000000466600 181262624 /nfs/dbraw/zinc/26/26/24/181262624.db2.gz FAVOSJNIJZMFAB-UHFFFAOYSA-N 0 0 212.252 2.844 50 0 BFAARN COc1ccc(OC)c(NC(=O)OC(C)C)c1 ZINC000000396492 356357794 /nfs/dbraw/zinc/35/77/94/356357794.db2.gz FJPJKWXRSAGMMG-UHFFFAOYSA-N 0 0 239.271 2.661 50 0 BFAARN Cc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000000396858 356358068 /nfs/dbraw/zinc/35/80/68/356358068.db2.gz JFAZJXHKUTYROF-RYUDHWBXSA-N 0 0 248.326 2.636 50 0 BFAARN O=C(OC1C2C=CC1C=C2)c1ccccc1 ZINC000000400597 356358694 /nfs/dbraw/zinc/35/86/94/356358694.db2.gz NTELHPJRBBSUIJ-UHFFFAOYSA-N 0 0 212.248 2.584 50 0 BFAARN CCOc1ccc(C(C)=O)c(OCC)c1C ZINC000002563914 356366655 /nfs/dbraw/zinc/36/66/55/356366655.db2.gz ZGPPGJDLCWXVHS-UHFFFAOYSA-N 0 0 222.284 2.995 50 0 BFAARN CC(=O)OCCCSc1ccccc1 ZINC000003080812 356366823 /nfs/dbraw/zinc/36/68/23/356366823.db2.gz LIBUSPCWAYYPHP-UHFFFAOYSA-N 0 0 210.298 2.732 50 0 BFAARN O=C(O[C@H]1CCCS1)c1ccccc1 ZINC000043199194 356372240 /nfs/dbraw/zinc/37/22/40/356372240.db2.gz GFQZMGVKSGNWGT-SNVBAGLBSA-N 0 0 208.282 2.697 50 0 BFAARN COC(C)(C)OCCC[C@@]1(C)COC(C)(C)O1 ZINC000071786811 356374648 /nfs/dbraw/zinc/37/46/48/356374648.db2.gz JXLCFSUWOQEKSR-ZDUSSCGKSA-N 0 0 246.347 2.707 50 0 BFAARN CCOc1ccccc1NC(=O)c1ccoc1 ZINC000012871407 356382862 /nfs/dbraw/zinc/38/28/62/356382862.db2.gz OZBVDTJZXWOGPB-UHFFFAOYSA-N 0 0 231.251 2.931 50 0 BFAARN Cc1occc1C(=O)Nc1ccc2c(c1)CCO2 ZINC000031344047 356480212 /nfs/dbraw/zinc/48/02/12/356480212.db2.gz QITYHWWNFZRHRE-UHFFFAOYSA-N 0 0 243.262 2.775 50 0 BFAARN NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000068719918 181284710 /nfs/dbraw/zinc/28/47/10/181284710.db2.gz QQDVXAGMYJRYEN-RQJHMYQMSA-N 0 0 230.094 2.582 50 0 BFAARN CCO[C@@H]1C[C@@H]1C(=O)O[C@H]1CCCC[C@H]1CC ZINC000252513904 363516244 /nfs/dbraw/zinc/51/62/44/363516244.db2.gz AREYDKSDKJMKAZ-MROQNXINSA-N 0 0 240.343 2.923 50 0 BFAARN CC(=O)[C@@H]1COc2c(C)cc(Cl)cc2C1 ZINC000675063891 538490862 /nfs/dbraw/zinc/49/08/62/538490862.db2.gz RYSMUGBVIUOONJ-JTQLQIEISA-N 0 0 224.687 2.789 50 0 BFAARN CC(=O)[C@H]1COc2c(C)cc(Cl)cc2C1 ZINC000675063892 538490881 /nfs/dbraw/zinc/49/08/81/538490881.db2.gz RYSMUGBVIUOONJ-SNVBAGLBSA-N 0 0 224.687 2.789 50 0 BFAARN O=C(c1ccc(Cl)o1)N1CCCCC1 ZINC000032879048 356699192 /nfs/dbraw/zinc/69/91/92/356699192.db2.gz QMQLOXLHDKTNOR-UHFFFAOYSA-N 0 0 213.664 2.559 50 0 BFAARN Cc1cc(C)c(C(=O)N2C[C@H]3CCCC[C@@H]3C2)[nH]1 ZINC000089568586 538581657 /nfs/dbraw/zinc/58/16/57/538581657.db2.gz PQKABQKWTLQSLZ-CHWSQXEVSA-N 0 0 246.354 2.894 50 0 BFAARN Cc1cc(-n2cccn2)nc(-c2ccccc2)n1 ZINC000089600683 538581915 /nfs/dbraw/zinc/58/19/15/538581915.db2.gz BWDVNHZHYOYXDN-UHFFFAOYSA-N 0 0 236.278 2.638 50 0 BFAARN O=C(C1CCCCC1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000089818209 538584482 /nfs/dbraw/zinc/58/44/82/538584482.db2.gz IZTVYDGUJWZZON-OKILXGFUSA-N 0 0 233.355 2.991 50 0 BFAARN C[C@H](NC(=O)[C@]1(C)CCCS1)C(C)(C)C ZINC000095449659 538607708 /nfs/dbraw/zinc/60/77/08/538607708.db2.gz HFYLYIMLPCZGMG-CABZTGNLSA-N 0 0 229.389 2.823 50 0 BFAARN C[C@@H](NC(=O)[C@]1(C)CCCS1)C(C)(C)C ZINC000095449660 538606709 /nfs/dbraw/zinc/60/67/09/538606709.db2.gz HFYLYIMLPCZGMG-SKDRFNHKSA-N 0 0 229.389 2.823 50 0 BFAARN Cc1ccccc1CC1CN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC000095964640 538610633 /nfs/dbraw/zinc/61/06/33/538610633.db2.gz HPFFZBUQONATJE-IUODEOHRSA-N 0 0 243.350 2.652 50 0 BFAARN Cc1ccccc1CC1CN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC000095964639 538611102 /nfs/dbraw/zinc/61/11/02/538611102.db2.gz HPFFZBUQONATJE-WFASDCNBSA-N 0 0 243.350 2.652 50 0 BFAARN O=c1oc(C2CC2)nc2sc3c(c21)CCC3 ZINC000009452339 538623432 /nfs/dbraw/zinc/62/34/32/538623432.db2.gz LWYFQNDUGPIFCS-UHFFFAOYSA-N 0 0 233.292 2.616 50 0 BFAARN CCOc1cc2c(cc1NC(=O)CC)O[C@H](C)C2 ZINC000012953248 356849175 /nfs/dbraw/zinc/84/91/75/356849175.db2.gz SOSTVNDFNFLJMN-SECBINFHSA-N 0 0 249.310 2.757 50 0 BFAARN NC(=O)c1cc(Cl)c(Cl)c(Cl)c1 ZINC000045919833 181289230 /nfs/dbraw/zinc/28/92/30/181289230.db2.gz VFMSTIJCEMFUBK-UHFFFAOYSA-N 0 0 224.474 2.746 50 0 BFAARN Cc1ccc(NC(=O)c2ccoc2)c(F)c1 ZINC000016261100 356955069 /nfs/dbraw/zinc/95/50/69/356955069.db2.gz NSZURPDIZGQKQZ-UHFFFAOYSA-N 0 0 219.215 2.979 50 0 BFAARN CC(C)CC(=O)N[C@@H]1CCc2ccccc21 ZINC000012945616 538778578 /nfs/dbraw/zinc/77/85/78/538778578.db2.gz VXHZDYDSEJRQIR-CYBMUJFWSA-N 0 0 217.312 2.836 50 0 BFAARN Cc1ccc(NC(=O)[C@@H](C)n2cccn2)cc1C ZINC000012921483 538778687 /nfs/dbraw/zinc/77/86/87/538778687.db2.gz KCCWDTXZJPAEBH-GFCCVEGCSA-N 0 0 243.310 2.700 50 0 BFAARN Cc1cc(C)c(C)c2[nH]c(C(=O)N(C)C)cc21 ZINC000012943670 538779289 /nfs/dbraw/zinc/77/92/89/538779289.db2.gz FBLQGANWFBNPSZ-UHFFFAOYSA-N 0 0 230.311 2.795 50 0 BFAARN Cc1ccc(CN(C)C(=O)NC2CC2)c(C)c1 ZINC000012981165 538781309 /nfs/dbraw/zinc/78/13/09/538781309.db2.gz CUKSQODTYKTNBV-UHFFFAOYSA-N 0 0 232.327 2.607 50 0 BFAARN O=C1C[C@H](c2ccccc2)c2ccc(O)cc2O1 ZINC000001668601 357091301 /nfs/dbraw/zinc/09/13/01/357091301.db2.gz FPHAXRIFTRBSSY-CYBMUJFWSA-N 0 0 240.258 2.833 50 0 BFAARN COC(=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000053712888 357157489 /nfs/dbraw/zinc/15/74/89/357157489.db2.gz ZGNWEBJIWYNENA-SSDOTTSWSA-N 0 0 232.201 2.982 50 0 BFAARN Cc1cccc(C(=O)Nc2ccccc2F)n1 ZINC000024353951 357167587 /nfs/dbraw/zinc/16/75/87/357167587.db2.gz VIMQDYYRQPCODP-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN COc1ccc(CNC(=O)c2ccoc2C)cc1 ZINC000006254729 357225722 /nfs/dbraw/zinc/22/57/22/357225722.db2.gz PVSMYJSMVXOEIM-UHFFFAOYSA-N 0 0 245.278 2.527 50 0 BFAARN CC(C)c1nnc(NC(=O)c2ccoc2)s1 ZINC000026573419 357319423 /nfs/dbraw/zinc/31/94/23/357319423.db2.gz UDCZWKBHIPBXJH-UHFFFAOYSA-N 0 0 237.284 2.507 50 0 BFAARN NC(=O)c1ccc(/C=C/c2ccccc2)cc1 ZINC000034410450 181293455 /nfs/dbraw/zinc/29/34/55/181293455.db2.gz IWVHEBBIKXKEBJ-VOTSOKGWSA-N 0 0 223.275 2.956 50 0 BFAARN CCc1ccc(N2C(=S)N=NC2CC)cc1 ZINC000006395130 358008539 /nfs/dbraw/zinc/00/85/39/358008539.db2.gz VRGAFKKFQFFQOX-UHFFFAOYSA-N 0 0 233.340 2.681 50 0 BFAARN O=C(Nc1ccncc1)c1cccc2[nH]ccc21 ZINC000036165814 358011842 /nfs/dbraw/zinc/01/18/42/358011842.db2.gz AUYCKMCNFSZVCD-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 BFAARN Cc1cc(C)nc(Nc2ccc(F)cc2)n1 ZINC000000150108 358081294 /nfs/dbraw/zinc/08/12/94/358081294.db2.gz LRFHPZOCXXBLIK-UHFFFAOYSA-N 0 0 217.247 2.976 50 0 BFAARN CC(C)Cc1csc(-c2c[nH]cn2)n1 ZINC000089856538 491120898 /nfs/dbraw/zinc/12/08/98/491120898.db2.gz KEQGNACGLHSFGX-UHFFFAOYSA-N 0 0 207.302 2.732 50 0 BFAARN COc1cccc(OC)c1/C=C\c1ccncn1 ZINC000221721602 358113428 /nfs/dbraw/zinc/11/34/28/358113428.db2.gz HZFCMQAUVVGJOX-SREVYHEPSA-N 0 0 242.278 2.664 50 0 BFAARN C[C@@]12C[C@@H](c3ccccc3)[C@@](C)(CC1=O)O2 ZINC000252627441 358217168 /nfs/dbraw/zinc/21/71/68/358217168.db2.gz RUDYRGFTVUSFJY-IACUBPJLSA-N 0 0 216.280 2.681 50 0 BFAARN NC(=O)c1ccc(COc2ccc(F)cc2)cc1 ZINC000012973113 181296758 /nfs/dbraw/zinc/29/67/58/181296758.db2.gz ACKDUJFUZZJUKJ-UHFFFAOYSA-N 0 0 245.253 2.504 50 0 BFAARN CN(C)C(=O)c1cc(Cl)cc2cccnc21 ZINC000055404665 358887833 /nfs/dbraw/zinc/88/78/33/358887833.db2.gz QQAJUSXKFMSVKD-UHFFFAOYSA-N 0 0 234.686 2.590 50 0 BFAARN Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2)no1 ZINC000057466964 358904548 /nfs/dbraw/zinc/90/45/48/358904548.db2.gz SYAZFNCCIFFTNA-LLVKDONJSA-N 0 0 244.294 2.816 50 0 BFAARN C[C@H](N[C@@H]1CCCc2occc21)c1nccn1C ZINC000070443742 359054827 /nfs/dbraw/zinc/05/48/27/359054827.db2.gz AEVWHCSRGYFHTI-CMPLNLGQSA-N 0 0 245.326 2.741 50 0 BFAARN Nc1cnc2cc(C(F)(F)F)ccc2c1 ZINC000141606529 192839605 /nfs/dbraw/zinc/83/96/05/192839605.db2.gz WJDZHQFNKGWFSG-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN CC(C)(C)C(=O)NC/C=C/c1ccccc1 ZINC000071902891 166527886 /nfs/dbraw/zinc/52/78/86/166527886.db2.gz GNMFAZDQKHKUHQ-JXMROGBWSA-N 0 0 217.312 2.862 50 0 BFAARN O=C1[C@H](SC2CCCCC2)CCN1C1CC1 ZINC000089818467 360042568 /nfs/dbraw/zinc/04/25/68/360042568.db2.gz YTSIZZXNEJZWGP-GFCCVEGCSA-N 0 0 239.384 2.816 50 0 BFAARN Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](CCCO)N2 ZINC000201858582 360297697 /nfs/dbraw/zinc/29/76/97/360297697.db2.gz SDLWMEYMPKDXIK-CORIIIEPSA-N 0 0 247.338 2.639 50 0 BFAARN NC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000007509984 181301406 /nfs/dbraw/zinc/30/14/06/181301406.db2.gz MJTCIHDRDLBAGL-UHFFFAOYSA-N 0 0 233.311 2.745 50 0 BFAARN CCc1ccc(O[C@@H](C)c2nnc(N)s2)cc1 ZINC000008338330 219810073 /nfs/dbraw/zinc/81/00/73/219810073.db2.gz YNXINTUMCSZUOG-QMMMGPOBSA-N 0 0 249.339 2.823 50 0 BFAARN NC(=O)c1cccc(CSC2CCCC2)c1 ZINC000047438572 181303220 /nfs/dbraw/zinc/30/32/20/181303220.db2.gz JXOGYPSSGFIXGT-UHFFFAOYSA-N 0 0 235.352 2.961 50 0 BFAARN O=C(c1ccco1)N1CCCCCCC1 ZINC000006725695 360681335 /nfs/dbraw/zinc/68/13/35/360681335.db2.gz MCLQPHVJZMNGBS-UHFFFAOYSA-N 0 0 207.273 2.686 50 0 BFAARN CC[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000006726773 360681605 /nfs/dbraw/zinc/68/16/05/360681605.db2.gz YMQQSDJUYGKVDD-UHTWSYAYSA-N 0 0 217.312 2.910 50 0 BFAARN NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000012174418 181305480 /nfs/dbraw/zinc/30/54/80/181305480.db2.gz FRRTWPSQWYNGEG-UHFFFAOYSA-N 0 0 213.236 2.578 50 0 BFAARN NC(=O)c1ccccc1OCc1cccc(F)c1 ZINC000023641741 181306025 /nfs/dbraw/zinc/30/60/25/181306025.db2.gz XIGQTCGRXAXIRF-UHFFFAOYSA-N 0 0 245.253 2.504 50 0 BFAARN NC(=O)c1ccccc1Oc1ccccc1 ZINC000002774449 181306570 /nfs/dbraw/zinc/30/65/70/181306570.db2.gz CJCOBMTYEDBBSY-UHFFFAOYSA-N 0 0 213.236 2.578 50 0 BFAARN NC(=O)c1ccccc1NCCc1cccs1 ZINC000097048046 181306808 /nfs/dbraw/zinc/30/68/08/181306808.db2.gz VYFJHCRABXVJBX-UHFFFAOYSA-N 0 0 246.335 2.502 50 0 BFAARN NC(=O)c1sc2ccccc2c1Cl ZINC000000093079 181314319 /nfs/dbraw/zinc/31/43/19/181314319.db2.gz XAELQWGFCUUJNM-UHFFFAOYSA-N 0 0 211.673 2.654 50 0 BFAARN NC(=S)Nc1ccc2c3c(cccc31)CC2 ZINC000000386603 181319493 /nfs/dbraw/zinc/31/94/93/181319493.db2.gz VRJVJRSTJQUELO-UHFFFAOYSA-N 0 0 228.320 2.594 50 0 BFAARN NC(=S)Nc1nc(-c2cccs2)cs1 ZINC000000408803 181319503 /nfs/dbraw/zinc/31/95/03/181319503.db2.gz SFUKEILTSKBHQJ-UHFFFAOYSA-N 0 0 241.366 2.527 50 0 BFAARN NC(=S)Nc1c(Cl)cccc1Cl ZINC000013657236 181319523 /nfs/dbraw/zinc/31/95/23/181319523.db2.gz KUQHRGMPBWZVQR-UHFFFAOYSA-N 0 0 221.112 2.649 50 0 BFAARN NC(=S)c1cc(Cl)cc(Cl)c1 ZINC000002540603 181320492 /nfs/dbraw/zinc/32/04/92/181320492.db2.gz DQYCYBQFAAOJAR-UHFFFAOYSA-N 0 0 206.097 2.628 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)on1 ZINC000036398249 361084550 /nfs/dbraw/zinc/08/45/50/361084550.db2.gz MPWXEORNXXWOME-NEPJUHHUSA-N 0 0 248.326 2.778 50 0 BFAARN Cc1ccc(NC(=O)c2cc(C3CC3)[nH]n2)cc1 ZINC000006942408 361152548 /nfs/dbraw/zinc/15/25/48/361152548.db2.gz WFXDLWZWDODILB-UHFFFAOYSA-N 0 0 241.294 2.848 50 0 BFAARN Cc1ccc(CN=Nc2ccc(Cl)nn2)cc1 ZINC000013118417 361185169 /nfs/dbraw/zinc/18/51/69/361185169.db2.gz GXIHSGKGCQTHSJ-UHFFFAOYSA-N 0 0 246.701 2.884 50 0 BFAARN CCCCOc1ccc(C)cc1-c1ncn(C)n1 ZINC000426369464 200982522 /nfs/dbraw/zinc/98/25/22/200982522.db2.gz YXOYNDZCOUSQDW-UHFFFAOYSA-N 0 0 245.326 2.969 50 0 BFAARN Cc1cc(-c2ncc(C)c(N(C)C)n2)ccc1O ZINC000426394512 200984940 /nfs/dbraw/zinc/98/49/40/200984940.db2.gz GFJVOVZQZZTZSF-UHFFFAOYSA-N 0 0 243.310 2.532 50 0 BFAARN CCc1c(-c2c(OC)cccc2OC)cnn1C ZINC000426440260 200985633 /nfs/dbraw/zinc/98/56/33/200985633.db2.gz ILQMYBAOMGBGSB-UHFFFAOYSA-N 0 0 246.310 2.667 50 0 BFAARN Fc1ccc(NN=Cc2cccnc2)c(F)c1 ZINC000013144813 361302137 /nfs/dbraw/zinc/30/21/37/361302137.db2.gz DIJQLFUUDNHTBF-UHFFFAOYSA-N 0 0 233.221 2.806 50 0 BFAARN CCC/C=C/c1cc(C(=O)NC)ccc1OC ZINC000426465168 200988895 /nfs/dbraw/zinc/98/88/95/200988895.db2.gz LAUVYJRLXDHGRO-VOTSOKGWSA-N 0 0 233.311 2.868 50 0 BFAARN CCO[C@H](C)C(=O)NC1(c2cccc(C)c2)CC1 ZINC000426518977 200993239 /nfs/dbraw/zinc/99/32/39/200993239.db2.gz OBLXAUZQIKSWHQ-GFCCVEGCSA-N 0 0 247.338 2.525 50 0 BFAARN O=c1cc[nH]c(C(F)(F)F)c1Br ZINC000238728568 361372779 /nfs/dbraw/zinc/37/27/79/361372779.db2.gz KZJZFSMPMXKQCT-UHFFFAOYSA-N 0 0 241.994 2.569 50 0 BFAARN O=C(c1cncc(F)c1)N1CCC(=C2CC2)CC1 ZINC000238810842 361382961 /nfs/dbraw/zinc/38/29/61/361382961.db2.gz AGMAXRQVSPQTJV-UHFFFAOYSA-N 0 0 246.285 2.547 50 0 BFAARN COc1ccc(OCCn2cccc2)cc1 ZINC000041229802 361465195 /nfs/dbraw/zinc/46/51/95/361465195.db2.gz IXIRIRFULQUKCF-UHFFFAOYSA-N 0 0 217.268 2.576 50 0 BFAARN CN(C)c1ccc(NCc2ccccc2F)cn1 ZINC000036989133 361591139 /nfs/dbraw/zinc/59/11/39/361591139.db2.gz BAILLMGLKWPKMW-UHFFFAOYSA-N 0 0 245.301 2.899 50 0 BFAARN COCc1ccc(C(=O)Nc2nccs2)cc1 ZINC000007401167 361661529 /nfs/dbraw/zinc/66/15/29/361661529.db2.gz WSOYUIWISOVIPJ-UHFFFAOYSA-N 0 0 248.307 2.542 50 0 BFAARN Oc1ccccc1NN=Cc1ccccc1 ZINC000252602909 363987830 /nfs/dbraw/zinc/98/78/30/363987830.db2.gz FMAMDZRNZSELMT-UHFFFAOYSA-N 0 0 212.252 2.838 50 0 BFAARN C[C@@H](Nc1ccn(C)n1)c1ccccc1F ZINC000037471898 364055853 /nfs/dbraw/zinc/05/58/53/364055853.db2.gz RJMVDQPPABXBPS-SECBINFHSA-N 0 0 219.263 2.732 50 0 BFAARN Fc1ncccc1-c1noc(C2CCC2)n1 ZINC000725273558 541341298 /nfs/dbraw/zinc/34/12/98/541341298.db2.gz KWSDQVLQYHBXTO-UHFFFAOYSA-N 0 0 219.219 2.538 50 0 BFAARN CCOc1cccc(CNCC(F)(F)F)c1 ZINC000037678121 364487448 /nfs/dbraw/zinc/48/74/48/364487448.db2.gz YNDIJVQWUYDGMF-UHFFFAOYSA-N 0 0 233.233 2.737 50 0 BFAARN O=c1[nH]nc2c3c(cccc31)-c1ccccc1-2 ZINC000002227658 364664458 /nfs/dbraw/zinc/66/44/58/364664458.db2.gz IKVRZIDOALZALL-UHFFFAOYSA-N 0 0 220.231 2.571 50 0 BFAARN Nc1c[nH]c2cc(Br)ccc12 ZINC000082373797 541406100 /nfs/dbraw/zinc/40/61/00/541406100.db2.gz CYFHJLUKQDSEDK-UHFFFAOYSA-N 0 0 211.062 2.513 50 0 BFAARN CCOc1ccc(Nc2nnc(C)s2)cc1 ZINC000006701703 541439451 /nfs/dbraw/zinc/43/94/51/541439451.db2.gz NNLWKPIENJEIAQ-UHFFFAOYSA-N 0 0 235.312 2.989 50 0 BFAARN O=C(NC1CC1)N1CC=C(c2ccccc2)CC1 ZINC000032843690 541501929 /nfs/dbraw/zinc/50/19/29/541501929.db2.gz VOETVYANNNFCKG-UHFFFAOYSA-N 0 0 242.322 2.648 50 0 BFAARN CC(C)=C[C@H]1[C@@H](C(=O)N2CCCC2)C1(C)C ZINC000032843259 541502323 /nfs/dbraw/zinc/50/23/23/541502323.db2.gz OILFIJKSVULUJO-RYUDHWBXSA-N 0 0 221.344 2.847 50 0 BFAARN CC(C)=C[C@H]1[C@H](C(=O)N2CCCC2)C1(C)C ZINC000032843261 541502424 /nfs/dbraw/zinc/50/24/24/541502424.db2.gz OILFIJKSVULUJO-NWDGAFQWSA-N 0 0 221.344 2.847 50 0 BFAARN COc1ccc2c(c1)CCCN2C(=O)[C@H]1C[C@H]1C ZINC000032848578 541502549 /nfs/dbraw/zinc/50/25/49/541502549.db2.gz MTOJIVWCQPDXOE-MFKMUULPSA-N 0 0 245.322 2.630 50 0 BFAARN CCCCCNc1c(N)c(=O)oc2ccccc21 ZINC000002024242 368065561 /nfs/dbraw/zinc/06/55/61/368065561.db2.gz ZVCJMUMGXDMRAH-UHFFFAOYSA-N 0 0 246.310 2.977 50 0 BFAARN CC(C)(C)C(=O)CN1C=CC=C/C1=C/N=O ZINC000038180849 368376079 /nfs/dbraw/zinc/37/60/79/368376079.db2.gz HRTUWHXSTRMGLN-NTMALXAHSA-N 0 0 220.272 2.595 50 0 BFAARN CCOC(=O)c1cc(C(F)(F)F)cc(C)n1 ZINC000148054017 368395004 /nfs/dbraw/zinc/39/50/04/368395004.db2.gz NYQKUPGLWQUPHD-UHFFFAOYSA-N 0 0 233.189 2.586 50 0 BFAARN Cc1nccnc1-c1ccc(N)c(Cl)c1 ZINC000220334711 368401303 /nfs/dbraw/zinc/40/13/03/368401303.db2.gz NFKIJODCBPATHH-UHFFFAOYSA-N 0 0 219.675 2.688 50 0 BFAARN COc1ccc(-c2cc3cccnc3[nH]2)cn1 ZINC000222929114 368402620 /nfs/dbraw/zinc/40/26/20/368402620.db2.gz JPSKWCLITQZGME-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN Cc1nc(C)c(Cc2ccc(Cl)cc2)c(=O)[nH]1 ZINC000012653139 370928169 /nfs/dbraw/zinc/92/81/69/370928169.db2.gz WRLWIMBQZJUUDF-UHFFFAOYSA-N 0 0 248.713 2.631 50 0 BFAARN C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccco2)C[C@H]1C ZINC000253369630 368939959 /nfs/dbraw/zinc/93/99/59/368939959.db2.gz FWEBSLPARNZHNQ-FVCCEPFGSA-N 0 0 237.343 2.727 50 0 BFAARN CC[C@H](NC(=O)NC1CCC1)c1ccc(O)cc1 ZINC000584891402 369038096 /nfs/dbraw/zinc/03/80/96/369038096.db2.gz NVIJBICEXJHINX-ZDUSSCGKSA-N 0 0 248.326 2.695 50 0 BFAARN CCCC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)OCC ZINC000107350302 369343886 /nfs/dbraw/zinc/34/38/86/369343886.db2.gz LWVSAJAAMVUGDI-YNEHKIRRSA-N 0 0 241.375 2.887 50 0 BFAARN COc1ccc(Nc2nccc(Cl)n2)cc1 ZINC000057331145 369393123 /nfs/dbraw/zinc/39/31/23/369393123.db2.gz YDFBKPJLRPDIIW-UHFFFAOYSA-N 0 0 235.674 2.882 50 0 BFAARN Nc1ccc(OCC(F)F)cc1C(F)(F)F ZINC000113272684 370398593 /nfs/dbraw/zinc/39/85/93/370398593.db2.gz UIJQNKYVWPNNBW-UHFFFAOYSA-N 0 0 241.159 2.932 50 0 BFAARN CC(C)(C)OC(=O)NCCc1cccc(C=O)c1 ZINC000114420348 370560057 /nfs/dbraw/zinc/56/00/57/370560057.db2.gz ZPQVFCBZTIFUKQ-UHFFFAOYSA-N 0 0 249.310 2.566 50 0 BFAARN C[C@@H](CCc1ccccc1F)Nc1c[nH]cn1 ZINC000225510934 370996437 /nfs/dbraw/zinc/99/64/37/370996437.db2.gz JOUDZVLTWHVWPH-JTQLQIEISA-N 0 0 233.290 2.982 50 0 BFAARN C/N=c1\scc(-c2ccc(Cl)cc2)n1C ZINC000013113860 371008555 /nfs/dbraw/zinc/00/85/55/371008555.db2.gz WNBWWSGKEXWPLK-QBFSEMIESA-N 0 0 238.743 2.938 50 0 BFAARN CC(=O)c1ccc(OCC(F)F)c(F)c1 ZINC000123410021 371068026 /nfs/dbraw/zinc/06/80/26/371068026.db2.gz OGFBFNFFCDYFIN-UHFFFAOYSA-N 0 0 218.174 2.672 50 0 BFAARN Fc1cccc(Cl)c1C1N2CCCCN12 ZINC000019169004 371120002 /nfs/dbraw/zinc/12/00/02/371120002.db2.gz IHRWHEYFRNMAMJ-UHFFFAOYSA-N 0 0 226.682 2.804 50 0 BFAARN CCCc1csc(-c2cccc(C(N)=O)c2)n1 ZINC000078868876 371146906 /nfs/dbraw/zinc/14/69/06/371146906.db2.gz KJOVPAFBTZYANI-UHFFFAOYSA-N 0 0 246.335 2.862 50 0 BFAARN Cc1cccc(F)c1C(=O)NC1CCCC1 ZINC000079069011 371179256 /nfs/dbraw/zinc/17/92/56/371179256.db2.gz BLWRXPUVQGOHAV-UHFFFAOYSA-N 0 0 221.275 2.807 50 0 BFAARN CCCCN(CC)C(=O)c1ccccc1 ZINC000016957959 168797532 /nfs/dbraw/zinc/79/75/32/168797532.db2.gz RRVMBNCYXJSBMP-UHFFFAOYSA-N 0 0 205.301 2.949 50 0 BFAARN Nc1cccc(-c2cccc3ncccc32)n1 ZINC000020109968 371230683 /nfs/dbraw/zinc/23/06/83/371230683.db2.gz RTLRDDHRNYYRRB-UHFFFAOYSA-N 0 0 221.263 2.879 50 0 BFAARN Cc1ccc(F)cc1C=Cc1nccc(=O)[nH]1 ZINC000390833664 371239427 /nfs/dbraw/zinc/23/94/27/371239427.db2.gz LBYNWTPYSANUBA-HWKANZROSA-N 0 0 230.242 2.800 50 0 BFAARN CC(C)CCc1cc(NC(=O)c2ccc[nH]2)n[nH]1 ZINC000390835243 371240525 /nfs/dbraw/zinc/24/05/25/371240525.db2.gz HNDFKFCTQLIIBY-UHFFFAOYSA-N 0 0 246.314 2.579 50 0 BFAARN Cc1nc(N)sc1-c1ccnc(C2CC2)c1 ZINC000095629712 371314301 /nfs/dbraw/zinc/31/43/01/371314301.db2.gz RKFYTIMKELESJC-UHFFFAOYSA-N 0 0 231.324 2.973 50 0 BFAARN CCc1cnc(NCc2ccco2)s1 ZINC000095939371 371358513 /nfs/dbraw/zinc/35/85/13/371358513.db2.gz GUWGESNXHNKSCH-UHFFFAOYSA-N 0 0 208.286 2.911 50 0 BFAARN C[C@H]1C[C@H]1C(=O)Nc1ccc2ccccc2n1 ZINC000095955600 371361844 /nfs/dbraw/zinc/36/18/44/371361844.db2.gz CHEMJPMPBZQVFY-GXSJLCMTSA-N 0 0 226.279 2.829 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc2ccccc2n1 ZINC000095955599 371362097 /nfs/dbraw/zinc/36/20/97/371362097.db2.gz CHEMJPMPBZQVFY-MWLCHTKSSA-N 0 0 226.279 2.829 50 0 BFAARN Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1N ZINC000002382080 181680171 /nfs/dbraw/zinc/68/01/71/181680171.db2.gz BRLIJPMFMGTIAW-UHFFFAOYSA-N 0 0 244.138 2.889 50 0 BFAARN Clc1cc(Cl)nc(Br)n1 ZINC000096135607 371419805 /nfs/dbraw/zinc/41/98/05/371419805.db2.gz SSRZBKAOTVKUSD-UHFFFAOYSA-N 0 0 227.876 2.546 50 0 BFAARN Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000017060408 181696632 /nfs/dbraw/zinc/69/66/32/181696632.db2.gz PHQBXCTZDRMXMX-UHFFFAOYSA-N 0 0 237.262 2.585 50 0 in-vitro BFAARN Brc1cn(-c2ccccc2)cn1 ZINC000096105109 371409645 /nfs/dbraw/zinc/40/96/45/371409645.db2.gz PYCHREPCYDQKIQ-UHFFFAOYSA-N 0 0 223.073 2.635 50 0 BFAARN Nc1ccc(F)c(NC(=O)c2ccc(F)cc2)c1 ZINC000019736553 181710353 /nfs/dbraw/zinc/71/03/53/181710353.db2.gz SNFIOWCWKFJBCF-UHFFFAOYSA-N 0 0 248.232 2.799 50 0 BFAARN Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000019736578 181711129 /nfs/dbraw/zinc/71/11/29/181711129.db2.gz AEMBEDJANFYSAP-UHFFFAOYSA-N 0 0 236.290 2.927 50 0 BFAARN CCC[C@H]1CCN(N)[C@@H]1c1cccc(OC)c1 ZINC000096027609 371382326 /nfs/dbraw/zinc/38/23/26/371382326.db2.gz WNHHXDQUSUDQGZ-FZMZJTMJSA-N 0 0 234.343 2.732 50 0 BFAARN Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000011847737 181730280 /nfs/dbraw/zinc/73/02/80/181730280.db2.gz ZVMOKAHTZAFWTB-UHFFFAOYSA-N 0 0 244.319 2.533 50 0 BFAARN Nc1cccc(COc2cccc(F)c2)c1 ZINC000019273480 181744022 /nfs/dbraw/zinc/74/40/22/181744022.db2.gz WXEKQNRKZZUIOG-UHFFFAOYSA-N 0 0 217.243 2.987 50 0 BFAARN Nc1cccc(Cn2cnc3ccccc32)c1 ZINC000019390799 181745211 /nfs/dbraw/zinc/74/52/11/181745211.db2.gz PBCMAQMJRXLGTE-UHFFFAOYSA-N 0 0 223.279 2.667 50 0 BFAARN COc1cccc(NC(=O)CCn2cccc2)c1 ZINC000021923361 371505155 /nfs/dbraw/zinc/50/51/55/371505155.db2.gz WDWMDTQTLKYSGU-UHFFFAOYSA-N 0 0 244.294 2.526 50 0 BFAARN Nc1cccc2ncc(Br)cc12 ZINC000095616301 181750214 /nfs/dbraw/zinc/75/02/14/181750214.db2.gz SVPUHAUIBLBKOQ-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN CCOc1ncnc2c3ccccc3[nH]c21 ZINC000002479496 371557247 /nfs/dbraw/zinc/55/72/47/371557247.db2.gz YFNDBQRUAGEFCV-UHFFFAOYSA-N 0 0 213.240 2.510 50 0 BFAARN CCOCSc1ncnc2ccsc21 ZINC000225583436 371558597 /nfs/dbraw/zinc/55/85/97/371558597.db2.gz UGDMUEXXHKEQRI-UHFFFAOYSA-N 0 0 226.326 2.777 50 0 BFAARN Nc1nc(-c2ccc(F)cc2F)cs1 ZINC000000035785 181776214 /nfs/dbraw/zinc/77/62/14/181776214.db2.gz HKUPOLYVZQLXKP-UHFFFAOYSA-N 0 0 212.224 2.671 50 0 BFAARN CC(C)CC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000028305255 371594283 /nfs/dbraw/zinc/59/42/83/371594283.db2.gz PWOAIUSDQIMNNB-SNVBAGLBSA-N 0 0 249.310 2.639 50 0 BFAARN CCc1noc(CSc2ccoc2C)n1 ZINC000131417650 371603300 /nfs/dbraw/zinc/60/33/00/371603300.db2.gz GAAVCCYFSOLCDW-UHFFFAOYSA-N 0 0 224.285 2.826 50 0 BFAARN Nc1nc(SCc2ccc(F)cc2)ns1 ZINC000000129527 181788466 /nfs/dbraw/zinc/78/84/66/181788466.db2.gz RWBUWFIZVUABIP-UHFFFAOYSA-N 0 0 241.316 2.552 50 0 BFAARN Nc1nc(Cl)nc2c(Cl)cccc12 ZINC000026899399 181783313 /nfs/dbraw/zinc/78/33/13/181783313.db2.gz BWHIMSYPTNZFDJ-UHFFFAOYSA-N 0 0 214.055 2.519 50 0 BFAARN Nc1nc(Cl)nc2cccc(Cl)c12 ZINC000026899462 181784238 /nfs/dbraw/zinc/78/42/38/181784238.db2.gz KWONOEUAYOZICR-UHFFFAOYSA-N 0 0 214.055 2.519 50 0 BFAARN Nc1ncc(Cc2ccc3c(c2)CCC3)s1 ZINC000020284191 181798897 /nfs/dbraw/zinc/79/88/97/181798897.db2.gz BTEHSOZOAWZLLW-UHFFFAOYSA-N 0 0 230.336 2.805 50 0 BFAARN Nc1nc2c(s1)C(=O)C[C@H](c1ccccc1)C2 ZINC000009046565 181791040 /nfs/dbraw/zinc/79/10/40/181791040.db2.gz HRSUKZMYFXBXMT-SECBINFHSA-N 0 0 244.319 2.638 50 0 BFAARN Fc1ccc(Br)cc1-c1cc[nH]n1 ZINC000132181880 371760946 /nfs/dbraw/zinc/76/09/46/371760946.db2.gz SXERMJTWSGFYDX-UHFFFAOYSA-N 0 0 241.063 2.978 50 0 BFAARN Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000000129160 181814130 /nfs/dbraw/zinc/81/41/30/181814130.db2.gz OPAKWVMMTCNRJQ-UHFFFAOYSA-N 0 0 241.316 2.552 50 0 BFAARN Nc1scc2c1c(=O)oc1ccccc21 ZINC000000479988 181821003 /nfs/dbraw/zinc/82/10/03/181821003.db2.gz FMRIMMNCSVUDBC-UHFFFAOYSA-N 0 0 217.249 2.590 50 0 biogenic BFAARN CCOc1ccccc1Cn1cccc1C=O ZINC000003030231 371847206 /nfs/dbraw/zinc/84/72/06/371847206.db2.gz RCEFZFFOXRMUSQ-UHFFFAOYSA-N 0 0 229.279 2.748 50 0 BFAARN CC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1C ZINC000003132129 371884297 /nfs/dbraw/zinc/88/42/97/371884297.db2.gz MRKQVVVVXFEYDX-SECBINFHSA-N 0 0 228.295 2.634 50 0 BFAARN CN(C)c1cccc(NC(=O)c2ccco2)c1 ZINC000003190496 371907545 /nfs/dbraw/zinc/90/75/45/371907545.db2.gz KLKBDIVAQINRJQ-UHFFFAOYSA-N 0 0 230.267 2.598 50 0 BFAARN O=C(/C=C/c1cccnc1)NC1CCCCC1 ZINC000042648900 181842850 /nfs/dbraw/zinc/84/28/50/181842850.db2.gz KNIRIOLNTXHLDH-CMDGGOBGSA-N 0 0 230.311 2.544 50 0 BFAARN O=C(/C=C/c1ccco1)NCCc1ccccc1 ZINC000000290601 181843619 /nfs/dbraw/zinc/84/36/19/181843619.db2.gz IONSRUJWBBFNGR-CMDGGOBGSA-N 0 0 241.290 2.652 50 0 biogenic BFAARN CCC(C)(CC)NC(=O)Cc1cccc(N)c1 ZINC000230952652 371980012 /nfs/dbraw/zinc/98/00/12/371980012.db2.gz YYKLCTNSYCKJBI-UHFFFAOYSA-N 0 0 234.343 2.506 50 0 BFAARN c1[nH]nc2ncnc(NCCC3=CCCCC3)c12 ZINC000031811138 372113382 /nfs/dbraw/zinc/11/33/82/372113382.db2.gz ZLRGNOFFQHDSDF-UHFFFAOYSA-N 0 0 243.314 2.655 50 0 BFAARN CCCCC[C@H](C)NC(=O)c1ccco1 ZINC000004006962 372114200 /nfs/dbraw/zinc/11/42/00/372114200.db2.gz ANMUBJVQMXAPSJ-JTQLQIEISA-N 0 0 209.289 2.978 50 0 BFAARN COc1cccc(NC(=O)CC[C@H]2CCCO2)c1 ZINC000031872423 372120832 /nfs/dbraw/zinc/12/08/32/372120832.db2.gz ZXJQEACQKIIIMX-GFCCVEGCSA-N 0 0 249.310 2.593 50 0 BFAARN COC(=O)/C=C(/C)CSc1cccc(O)c1 ZINC000606445914 372104167 /nfs/dbraw/zinc/10/41/67/372104167.db2.gz MYXZIWBOKNCKSX-TWGQIWQCSA-N 0 0 238.308 2.604 50 0 BFAARN Cn1c2ccc3ccccc3c2sc1=N ZINC000004192032 372162716 /nfs/dbraw/zinc/16/27/16/372162716.db2.gz LGTRUCDIPDQJMH-UHFFFAOYSA-N 0 0 214.293 2.872 50 0 BFAARN Clc1ccc2ncc(-c3cn[nH]c3)nc2c1 ZINC000032537167 372201345 /nfs/dbraw/zinc/20/13/45/372201345.db2.gz VVOZTVIVEYKFFT-UHFFFAOYSA-N 0 0 230.658 2.673 50 0 BFAARN O=C(CCc1ccccc1)Nc1cccnc1 ZINC000000050239 181932057 /nfs/dbraw/zinc/93/20/57/181932057.db2.gz VDIGXPJBFMIXHE-UHFFFAOYSA-N 0 0 226.279 2.653 50 0 BFAARN O=C(CCc1ccc(F)cc1)Nc1cccnc1 ZINC000025691298 181928235 /nfs/dbraw/zinc/92/82/35/181928235.db2.gz ZNRSBOSRUMVURD-UHFFFAOYSA-N 0 0 244.269 2.792 50 0 BFAARN O=C(CCc1ccccc1)C1(O)CCCCC1 ZINC000000229938 181930263 /nfs/dbraw/zinc/93/02/63/181930263.db2.gz JNPMKVGVKUKYRV-UHFFFAOYSA-N 0 0 232.323 2.884 50 0 BFAARN O=C(CCc1cccs1)N1CCCCC1 ZINC000036140413 181934185 /nfs/dbraw/zinc/93/41/85/181934185.db2.gz MWDLAGDHXYXOND-UHFFFAOYSA-N 0 0 223.341 2.693 50 0 BFAARN O=C(COC(=O)[C@@H]1C=CCCC1)c1ccccc1 ZINC000000448519 181991455 /nfs/dbraw/zinc/99/14/55/181991455.db2.gz CORMBNGUTGWCOF-CYBMUJFWSA-N 0 0 244.290 2.769 50 0 BFAARN O=C(CSC(F)(F)F)Nc1ccccc1 ZINC000040088759 182005741 /nfs/dbraw/zinc/00/57/41/182005741.db2.gz AZGOOAHRRSVTNI-UHFFFAOYSA-N 0 0 235.230 2.878 50 0 BFAARN COc1cc(C(=O)N[C@@H](C)C2CC2)ccc1C ZINC000008704338 372859839 /nfs/dbraw/zinc/85/98/39/372859839.db2.gz HLGWRQGZAGIYQQ-JTQLQIEISA-N 0 0 233.311 2.532 50 0 BFAARN O=C(COc1ccccc1Cl)c1ccc[nH]1 ZINC000003284362 182002961 /nfs/dbraw/zinc/00/29/61/182002961.db2.gz LPYDYIDOYRKNIJ-UHFFFAOYSA-N 0 0 235.670 2.930 50 0 BFAARN O=C(CSCc1ccccc1)Nc1cnoc1 ZINC000086071834 182009255 /nfs/dbraw/zinc/00/92/55/182009255.db2.gz SQVGVKKMQSYICM-UHFFFAOYSA-N 0 0 248.307 2.547 50 0 BFAARN O=C(Cc1c(Cl)cccc1Cl)NC1CC1 ZINC000003565448 182032315 /nfs/dbraw/zinc/03/23/15/182032315.db2.gz VGZFDEYFKGQENQ-UHFFFAOYSA-N 0 0 244.121 2.815 50 0 BFAARN O=C(Cc1ccc(Cl)cc1)Nc1ccccn1 ZINC000000030754 182035753 /nfs/dbraw/zinc/03/57/53/182035753.db2.gz VGDGJJWTJDNGFZ-UHFFFAOYSA-N 0 0 246.697 2.916 50 0 BFAARN O=C(Cc1cccc2ccccc21)NCC1CC1 ZINC000032906063 182042689 /nfs/dbraw/zinc/04/26/89/182042689.db2.gz FCPMSIIGQRDFSL-UHFFFAOYSA-N 0 0 239.318 2.909 50 0 BFAARN O=C(Cc1ccccc1)N1CCc2ccccc21 ZINC000000178514 182043579 /nfs/dbraw/zinc/04/35/79/182043579.db2.gz YIZXFZVLAQOAOS-UHFFFAOYSA-N 0 0 237.302 2.818 50 0 BFAARN O=C(Cc1ccccc1)OCc1ccccc1 ZINC000000394557 182044444 /nfs/dbraw/zinc/04/44/44/182044444.db2.gz MIYFJEKZLFWKLZ-UHFFFAOYSA-N 0 0 226.275 2.973 50 0 endogenous,in-man BFAARN O=C(Cc1ccccc1)Nc1cccc(O)c1 ZINC000000457374 182044551 /nfs/dbraw/zinc/04/45/51/182044551.db2.gz NOOCNVIYWCFDCM-UHFFFAOYSA-N 0 0 227.263 2.573 50 0 BFAARN O=C(Cc1ccccc1)c1ccc(O)cc1O ZINC000000117559 182044953 /nfs/dbraw/zinc/04/49/53/182044953.db2.gz VFQKAJVKZKHVPD-UHFFFAOYSA-N 0 0 228.247 2.523 50 0 biogenic,in-vitro BFAARN O=C(Cc1ccccc1Cl)NC1CCCC1 ZINC000013325927 182045146 /nfs/dbraw/zinc/04/51/46/182045146.db2.gz XOCLVNVVVNTCGM-UHFFFAOYSA-N 0 0 237.730 2.941 50 0 BFAARN O=C(Cc1cccs1)N1CCc2ccccc21 ZINC000000194971 182051471 /nfs/dbraw/zinc/05/14/71/182051471.db2.gz VYMAVMPMEBLVMM-UHFFFAOYSA-N 0 0 243.331 2.880 50 0 BFAARN C[C@@H](Cc1ccco1)NC(=O)C1CCCC1 ZINC000040050124 373097010 /nfs/dbraw/zinc/09/70/10/373097010.db2.gz ZUTFXBSEUOIYDS-JTQLQIEISA-N 0 0 221.300 2.517 50 0 BFAARN CC(C)(C)CC(=O)NCCc1ccc(F)cc1 ZINC000040159519 373112954 /nfs/dbraw/zinc/11/29/54/373112954.db2.gz SHWGGGPWNBBRKS-UHFFFAOYSA-N 0 0 237.318 2.921 50 0 BFAARN O=C(CCC1CCCCC1)N1CCCC1 ZINC000039961079 373072427 /nfs/dbraw/zinc/07/24/27/373072427.db2.gz XBJWHVSUJLMGPK-UHFFFAOYSA-N 0 0 209.333 2.969 50 0 BFAARN O=C(Cn1cnc2ccccc21)c1ccccc1 ZINC000004412352 182072395 /nfs/dbraw/zinc/07/23/95/182072395.db2.gz PALXXAQBOPMQNB-UHFFFAOYSA-N 0 0 236.274 2.919 50 0 BFAARN O=C(N/C=C/c1ccco1)NCc1ccccc1 ZINC000003105131 182076457 /nfs/dbraw/zinc/07/64/57/182076457.db2.gz NZZQKSWQEZCYLD-CMDGGOBGSA-N 0 0 242.278 2.750 50 0 BFAARN Nc1c(Cl)ncnc1Oc1ccccc1F ZINC000040428539 373262167 /nfs/dbraw/zinc/26/21/67/373262167.db2.gz IESFYMMUTUFWSK-UHFFFAOYSA-N 0 0 239.637 2.644 50 0 BFAARN O=C(NC1CC1)c1ccc2c3c(cccc31)CC2 ZINC000002999384 182100295 /nfs/dbraw/zinc/10/02/95/182100295.db2.gz MXYKBUGEZHESBA-UHFFFAOYSA-N 0 0 237.302 2.831 50 0 BFAARN O=C(NC1CCCCC1)NC1CCCCC1 ZINC000000157375 182112337 /nfs/dbraw/zinc/11/23/37/182112337.db2.gz ADFXKUOMJKEIND-UHFFFAOYSA-N 0 0 224.348 2.951 50 0 in-vivo BFAARN C/C=C/CSc1nnc(C(C)(C)C)[nH]1 ZINC000040497708 373335750 /nfs/dbraw/zinc/33/57/50/373335750.db2.gz GDWUNGAPMJFHKG-AATRIKPKSA-N 0 0 211.334 2.770 50 0 BFAARN O=C(NC1CCCCC1)[C@H]1CC=CCC1 ZINC000040473674 182112977 /nfs/dbraw/zinc/11/29/77/182112977.db2.gz FHZIHNKVMRCBRJ-NSHDSACASA-N 0 0 207.317 2.792 50 0 BFAARN O=C(NC1CCC1)c1ccc2ncsc2c1 ZINC000264507265 182106953 /nfs/dbraw/zinc/10/69/53/182106953.db2.gz JNSXIVRFKPELFK-UHFFFAOYSA-N 0 0 232.308 2.579 50 0 BFAARN O=C(NC1CCCC1)[C@H]1C[C@H]1c1ccccc1 ZINC000000182985 182109619 /nfs/dbraw/zinc/10/96/19/182109619.db2.gz WNIHXHZBQPHZTC-KBPBESRZSA-N 0 0 229.323 2.849 50 0 BFAARN CCCCNC(=O)COc1ccc(CC)cc1 ZINC000010471945 168845530 /nfs/dbraw/zinc/84/55/30/168845530.db2.gz LHCUTYBCXIWEPQ-UHFFFAOYSA-N 0 0 235.327 2.544 50 0 BFAARN O=C(NCC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004704583 182137548 /nfs/dbraw/zinc/13/75/48/182137548.db2.gz OTCATFNNBAOMQA-UHFFFAOYSA-N 0 0 233.355 2.729 50 0 BFAARN O=C(NCC1CC1)c1sccc1-n1cccc1 ZINC000025574777 182142470 /nfs/dbraw/zinc/14/24/70/182142470.db2.gz CBKWSPYMKPEFKV-UHFFFAOYSA-N 0 0 246.335 2.679 50 0 BFAARN CCCCNC(=O)N1CCC(n2cccc2)CC1 ZINC000003129146 168848805 /nfs/dbraw/zinc/84/88/05/168848805.db2.gz AJMDDDKHFAKXEV-UHFFFAOYSA-N 0 0 249.358 2.635 50 0 BFAARN O=C(NCCC1=CCCCC1)c1ccncc1 ZINC000000476672 182153619 /nfs/dbraw/zinc/15/36/19/182153619.db2.gz XKRGACQLRADBOQ-UHFFFAOYSA-N 0 0 230.311 2.702 50 0 BFAARN O=C(NCCSC1CCCC1)c1ccoc1 ZINC000036392347 182197939 /nfs/dbraw/zinc/19/79/39/182197939.db2.gz LBZUSFRYTUDHJB-UHFFFAOYSA-N 0 0 239.340 2.685 50 0 BFAARN O=C(NCCc1cccc(F)c1)C1CCCC1 ZINC000032745059 182203328 /nfs/dbraw/zinc/20/33/28/182203328.db2.gz MPMRAEIBCCQJJQ-UHFFFAOYSA-N 0 0 235.302 2.675 50 0 BFAARN O=C(NCCc1cccs1)[C@@H]1CC=CCC1 ZINC000040160166 182207527 /nfs/dbraw/zinc/20/75/27/182207527.db2.gz OPZOUPUISQQARO-LLVKDONJSA-N 0 0 235.352 2.763 50 0 BFAARN Cc1ccc2oc(=O)n(C(=O)CC(C)C)c2c1 ZINC000009528515 374145257 /nfs/dbraw/zinc/14/52/57/374145257.db2.gz DCWYVGNJPSIJJM-UHFFFAOYSA-N 0 0 233.267 2.589 50 0 BFAARN Cn1ccnc1Sc1cnc2ccccc2n1 ZINC000041872444 374199781 /nfs/dbraw/zinc/19/97/81/374199781.db2.gz GBCANKPSWZUZLO-UHFFFAOYSA-N 0 0 242.307 2.515 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1OC(F)F ZINC000009726540 374232135 /nfs/dbraw/zinc/23/21/35/374232135.db2.gz FBVJRBSAWHBLCJ-SFYZADRCSA-N 0 0 241.237 2.883 50 0 BFAARN O=C(NCc1ccccc1Cl)c1ccc[nH]1 ZINC000001404027 182257465 /nfs/dbraw/zinc/25/74/65/182257465.db2.gz MMJXRHGQHYDTRP-UHFFFAOYSA-N 0 0 234.686 2.598 50 0 BFAARN O=C(NCc1ccccc1Cl)C1CCC1 ZINC000013327458 182257625 /nfs/dbraw/zinc/25/76/25/182257625.db2.gz ZANODMPTHPFOPT-UHFFFAOYSA-N 0 0 223.703 2.756 50 0 BFAARN O=C(NCc1ccncc1)c1ccc(Cl)cc1 ZINC000000315022 182265869 /nfs/dbraw/zinc/26/58/69/182265869.db2.gz WXGSJKCIBYXPSF-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN O=C(NCc1ccccn1)Nc1ccc(F)cc1 ZINC000000453085 182258052 /nfs/dbraw/zinc/25/80/52/182258052.db2.gz YZBQUCHTVDNQRH-UHFFFAOYSA-N 0 0 245.257 2.542 50 0 BFAARN O=C(NCc1ccccn1)Nc1cccc(F)c1 ZINC000006714384 182258291 /nfs/dbraw/zinc/25/82/91/182258291.db2.gz DRSNFAFVEONFKF-UHFFFAOYSA-N 0 0 245.257 2.542 50 0 BFAARN O=C(NCc1ccccc1F)c1ccccc1 ZINC000006927262 182258506 /nfs/dbraw/zinc/25/85/06/182258506.db2.gz STNBUNFECDXHCJ-UHFFFAOYSA-N 0 0 229.254 2.756 50 0 BFAARN O=C(NCc1ccccc1F)c1cccs1 ZINC000001052227 182258576 /nfs/dbraw/zinc/25/85/76/182258576.db2.gz OSVGMRRNTWTZGC-UHFFFAOYSA-N 0 0 235.283 2.817 50 0 BFAARN O=C(NCc1ccccn1)c1ccc(Cl)cc1 ZINC000000029235 182260142 /nfs/dbraw/zinc/26/01/42/182260142.db2.gz CGUPFQBYBURSCZ-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN O=C(NCc1ccco1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000002747344 182262110 /nfs/dbraw/zinc/26/21/10/182262110.db2.gz YMFYOUIQBHWTQR-ZIAGYGMSSA-N 0 0 241.290 2.700 50 0 BFAARN CCCCC[C@H](C)NC(=O)N1CCCC1 ZINC000071800791 374293465 /nfs/dbraw/zinc/29/34/65/374293465.db2.gz XDEVKNBZNXYESR-NSHDSACASA-N 0 0 212.337 2.761 50 0 BFAARN O=C(NCc1ccoc1)Nc1ccc(F)cc1 ZINC000047688286 182266812 /nfs/dbraw/zinc/26/68/12/182266812.db2.gz GTKCMLTVFUDOGI-UHFFFAOYSA-N 0 0 234.230 2.740 50 0 BFAARN O=C(NCc1ccsc1)c1cccs1 ZINC000013698117 182268673 /nfs/dbraw/zinc/26/86/73/182268673.db2.gz AOUSEPBGZSTQSR-UHFFFAOYSA-N 0 0 223.322 2.740 50 0 BFAARN COc1ncccc1-c1ccc(C(C)C)nn1 ZINC000426574869 206052901 /nfs/dbraw/zinc/05/29/01/206052901.db2.gz JGOQHBXMZWAXNV-UHFFFAOYSA-N 0 0 229.283 2.671 50 0 BFAARN O=C(N[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000012847238 182287062 /nfs/dbraw/zinc/28/70/62/182287062.db2.gz TZOAOHYZHXPCPD-ZDUSSCGKSA-N 0 0 215.296 2.664 50 0 BFAARN CCCCNC(=S)Nc1ccc(OC)cc1 ZINC000002187388 168865068 /nfs/dbraw/zinc/86/50/68/168865068.db2.gz DFBKHLMDEOVMQO-UHFFFAOYSA-N 0 0 238.356 2.782 50 0 BFAARN O=C(N[C@H]1CCOc2ccccc21)c1ccoc1 ZINC000036394050 182338619 /nfs/dbraw/zinc/33/86/19/182338619.db2.gz WPUHDWDFVPVULQ-LBPRGKRZSA-N 0 0 243.262 2.533 50 0 BFAARN O=C(Nc1cc(F)ccc1O)[C@H]1CC=CCC1 ZINC000098018454 182350287 /nfs/dbraw/zinc/35/02/87/182350287.db2.gz LASIGHBRVMIVPI-VIFPVBQESA-N 0 0 235.258 2.826 50 0 BFAARN O=C(Nc1cc(F)ccc1F)c1ccco1 ZINC000003611341 182350350 /nfs/dbraw/zinc/35/03/50/182350350.db2.gz AOZQIAWTQHTEGH-UHFFFAOYSA-N 0 0 223.178 2.810 50 0 BFAARN O=C(Nc1cc2cc[nH]c2cn1)c1ccccc1 ZINC000000289948 182351368 /nfs/dbraw/zinc/35/13/68/182351368.db2.gz HWJRIFZDXJKJJN-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 in-vitro BFAARN O=C(Nc1ccc(F)cc1)Nc1cccnc1 ZINC000000158135 182355219 /nfs/dbraw/zinc/35/52/19/182355219.db2.gz LKHPEGFGVVAXOU-UHFFFAOYSA-N 0 0 231.230 2.865 50 0 BFAARN O=C(Nc1cc(-c2ccsc2)no1)C1CC1 ZINC000065153118 182346271 /nfs/dbraw/zinc/34/62/71/182346271.db2.gz FGWZMRMYDIKGGE-UHFFFAOYSA-N 0 0 234.280 2.752 50 0 BFAARN O=C(Nc1cc(-c2cccs2)[nH]n1)C1CCC1 ZINC000048751055 182346542 /nfs/dbraw/zinc/34/65/42/182346542.db2.gz HBKPSMFTKSIUOC-UHFFFAOYSA-N 0 0 247.323 2.877 50 0 BFAARN O=C(Nc1ccc(O)cc1)Nc1ccc(F)cn1 ZINC000170087880 182358995 /nfs/dbraw/zinc/35/89/95/182358995.db2.gz DAZPFGIOTSGVJE-UHFFFAOYSA-N 0 0 247.229 2.570 50 0 BFAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCCC1 ZINC000005678152 182364136 /nfs/dbraw/zinc/36/41/36/182364136.db2.gz PVUPJHVSGQBVQF-UHFFFAOYSA-N 0 0 247.294 2.587 50 0 BFAARN O=C(Nc1ccc2c(c1)CCC2)c1cccnc1 ZINC000012896998 182364478 /nfs/dbraw/zinc/36/44/78/182364478.db2.gz RIFYALHALNGZMW-UHFFFAOYSA-N 0 0 238.290 2.823 50 0 BFAARN O=C(Nc1ccc2c(c1)CCO2)C1CCCC1 ZINC000027133314 182364542 /nfs/dbraw/zinc/36/45/42/182364542.db2.gz SWDXGNODXMEBLD-UHFFFAOYSA-N 0 0 231.295 2.750 50 0 BFAARN O=C(Nc1ccc2ccccc2n1)c1cccnc1 ZINC000057676201 182365293 /nfs/dbraw/zinc/36/52/93/182365293.db2.gz CKXRMNVOYPPLEZ-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1ccc2ncccc2c1)c1ccncc1 ZINC000018192363 182366826 /nfs/dbraw/zinc/36/68/26/182366826.db2.gz KFVWOTSHXWAFMK-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1ccccc1)OCC(F)(F)F ZINC000001083818 182377280 /nfs/dbraw/zinc/37/72/80/182377280.db2.gz DWYDJEHECXADHP-UHFFFAOYSA-N 0 0 219.162 2.797 50 0 BFAARN O=C(Nc1ccccc1Br)C1CC1 ZINC000000363920 182378255 /nfs/dbraw/zinc/37/82/55/182378255.db2.gz BUGVBYSRBPRCSK-UHFFFAOYSA-N 0 0 240.100 2.798 50 0 BFAARN O=C(Nc1ccccc1)c1ccc2c(c1)OCO2 ZINC000000445055 182378314 /nfs/dbraw/zinc/37/83/14/182378314.db2.gz BYYSRQHVIOZWEJ-UHFFFAOYSA-N 0 0 241.246 2.668 50 0 BFAARN O=C(Nc1cccc(O)c1)c1ccccc1F ZINC000003160090 182372271 /nfs/dbraw/zinc/37/22/71/182372271.db2.gz GMTKRBXGJLIBHH-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1cccc2c1CCCC2)[C@@H]1CCCO1 ZINC000012977120 182373504 /nfs/dbraw/zinc/37/35/04/182373504.db2.gz NHILHOFDCUTEMB-AWEZNQCLSA-N 0 0 245.322 2.683 50 0 BFAARN O=C(Nc1ccon1)Nc1ccccc1Cl ZINC000020508109 182389380 /nfs/dbraw/zinc/38/93/80/182389380.db2.gz OGYPTHVXTWREPI-UHFFFAOYSA-N 0 0 237.646 2.972 50 0 BFAARN O=C(Nc1cn[nH]c1)c1cccc2ccccc21 ZINC000035237627 182392748 /nfs/dbraw/zinc/39/27/48/182392748.db2.gz HAHHMHIAFJRERL-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 BFAARN O=C(Nc1cnc2ccccc2c1)C(F)(F)F ZINC000013208234 182392776 /nfs/dbraw/zinc/39/27/76/182392776.db2.gz VTLDQNBRKSUBBX-UHFFFAOYSA-N 0 0 240.184 2.736 50 0 BFAARN O=C(Nc1ccccn1)c1cccc2cccnc21 ZINC000012539829 182382817 /nfs/dbraw/zinc/38/28/17/182382817.db2.gz MYECAVHMPOXSRI-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1ccn(-c2ccccc2)n1)C1CCC1 ZINC000040490302 182385283 /nfs/dbraw/zinc/38/52/83/182385283.db2.gz BAUDVOGWLCVNIF-UHFFFAOYSA-N 0 0 241.294 2.611 50 0 BFAARN O=C(Nc1cccnc1)c1cccc2ncccc21 ZINC000025431363 182385350 /nfs/dbraw/zinc/38/53/50/182385350.db2.gz BNKZZYIHPBJVNU-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1ccncc1)[C@H]1C[C@H]1c1ccccc1 ZINC000000461490 182386687 /nfs/dbraw/zinc/38/66/87/182386687.db2.gz NOMFGVQIYPJHNJ-KBPBESRZSA-N 0 0 238.290 2.824 50 0 BFAARN O=C(Nc1ccncc1)c1cc2ccccc2[nH]1 ZINC000032726043 182386911 /nfs/dbraw/zinc/38/69/11/182386911.db2.gz LEMDFBBBVSNIBE-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 BFAARN O=C(Nc1ccnn1C1CCCC1)c1ccco1 ZINC000036397249 182388931 /nfs/dbraw/zinc/38/89/31/182388931.db2.gz STKVIASSCRTHGF-UHFFFAOYSA-N 0 0 245.282 2.844 50 0 BFAARN O=C(Nc1cnccn1)Nc1ccccc1Cl ZINC000006727187 182393458 /nfs/dbraw/zinc/39/34/58/182393458.db2.gz OCBZOEJCKOSZOR-UHFFFAOYSA-N 0 0 248.673 2.774 50 0 BFAARN CCCCNc1c(N)c(=O)oc2ccccc21 ZINC000017916938 168877518 /nfs/dbraw/zinc/87/75/18/168877518.db2.gz IBRXTMRWTXOILF-UHFFFAOYSA-N 0 0 232.283 2.587 50 0 BFAARN O=C(O[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000000088317 182607966 /nfs/dbraw/zinc/60/79/66/182607966.db2.gz BVDLKOWNKUCLAH-MRVPVSSYSA-N 0 0 231.078 2.790 50 0 BFAARN O=C(c1ccc(Cl)o1)N1CCCCCC1 ZINC000058316114 182658950 /nfs/dbraw/zinc/65/89/50/182658950.db2.gz IMGDNPPDDSWBOY-UHFFFAOYSA-N 0 0 227.691 2.949 50 0 BFAARN O=C(c1ccccc1)[C@@H](O)c1ccccc1 ZINC000000000076 182676929 /nfs/dbraw/zinc/67/69/29/182676929.db2.gz ISAOCJYIOMOJEB-ZDUSSCGKSA-N 0 0 212.248 2.603 50 0 endogenous,in-man BFAARN O=C(c1cccs1)N1CCc2ccccc2C1 ZINC000000153894 182687770 /nfs/dbraw/zinc/68/77/70/182687770.db2.gz LDPPWKSSXULXNJ-UHFFFAOYSA-N 0 0 243.331 2.947 50 0 BFAARN O=C(c1ccccc1)c1ccc(Cl)nc1 ZINC000002383339 182678260 /nfs/dbraw/zinc/67/82/60/182678260.db2.gz VYBSRFYWXHOQFR-UHFFFAOYSA-N 0 0 217.655 2.966 50 0 BFAARN O=C1CSC(=O)N1c1ccc(Cl)cc1 ZINC000001046081 182771034 /nfs/dbraw/zinc/77/10/34/182771034.db2.gz KSBJKLRNVMFMKE-UHFFFAOYSA-N 0 0 227.672 2.540 50 0 BFAARN O=C1Cc2cc(F)ccc2N1Cc1ccccc1 ZINC000096026256 182787456 /nfs/dbraw/zinc/78/74/56/182787456.db2.gz FNOFBBBIHFILOQ-UHFFFAOYSA-N 0 0 241.265 2.915 50 0 BFAARN O=C1N[C@H](c2ccc(F)cc2)Nc2ccccc21 ZINC000005338548 182820672 /nfs/dbraw/zinc/82/06/72/182820672.db2.gz TVPPBWCYGUMJAW-CYBMUJFWSA-N 0 0 242.253 2.680 50 0 BFAARN O=C1c2ccccc2COc2ccccc21 ZINC000000346948 182846342 /nfs/dbraw/zinc/84/63/42/182846342.db2.gz YUSHFLBKQQILNV-UHFFFAOYSA-N 0 0 210.232 2.810 50 0 in-vitro BFAARN O=C1c2ccccc2[C@H]2C(=O)c3ccccc3[C@H]12 ZINC000018283608 182847079 /nfs/dbraw/zinc/84/70/79/182847079.db2.gz IJSLGPMHLYJZSU-OKILXGFUSA-N 0 0 234.254 2.947 50 0 BFAARN O=C1Nc2ccccc2/C1=C1\CCCCCN1 ZINC000005731681 182824307 /nfs/dbraw/zinc/82/43/07/182824307.db2.gz BUUZXNKTNOPQRN-SEYXRHQNSA-N 0 0 228.295 2.513 50 0 biogenic BFAARN O=C1O[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 ZINC000017312074 182836768 /nfs/dbraw/zinc/83/67/68/182836768.db2.gz NHZLOUXGQVISND-XQQFMLRXSA-N 0 0 216.280 2.886 50 0 BFAARN O=Cc1cc(F)ccc1OC(F)(F)F ZINC000040448532 182863239 /nfs/dbraw/zinc/86/32/39/182863239.db2.gz DLJQIFHQYJCQHB-UHFFFAOYSA-N 0 0 208.110 2.537 50 0 BFAARN O=Cc1cc2ccc(Br)cc2[nH]1 ZINC000012984556 182864338 /nfs/dbraw/zinc/86/43/38/182864338.db2.gz IGZHNWFLHSANSN-UHFFFAOYSA-N 0 0 224.057 2.743 50 0 BFAARN O=Cc1ccc(-c2cn3ccccc3n2)cc1 ZINC000000337597 182865090 /nfs/dbraw/zinc/86/50/90/182865090.db2.gz MEDHSOWGQJBYSH-UHFFFAOYSA-N 0 0 222.247 2.814 50 0 BFAARN O=Cc1ccc(OC(F)(F)F)c(F)c1 ZINC000012359301 182868305 /nfs/dbraw/zinc/86/83/05/182868305.db2.gz RQLRUBHAAVGRPW-UHFFFAOYSA-N 0 0 208.110 2.537 50 0 BFAARN O=Cc1ccnc2c(Br)cccc12 ZINC000001526852 182873294 /nfs/dbraw/zinc/87/32/94/182873294.db2.gz JRKLRIAIMIKGHT-UHFFFAOYSA-N 0 0 236.068 2.810 50 0 BFAARN O=Cc1nc2cc(Br)ccc2s1 ZINC000064033373 182876837 /nfs/dbraw/zinc/87/68/37/182876837.db2.gz NQPMLGVPEPOVRW-UHFFFAOYSA-N 0 0 242.097 2.871 50 0 BFAARN O=NN1C[C@]23CC=CC[C@@]2(C1)CCCC3 ZINC000045070743 182877458 /nfs/dbraw/zinc/87/74/58/182877458.db2.gz PSFGOJUFEIYFLX-TXEJJXNPSA-N 0 0 206.289 2.880 50 0 BFAARN CCCCS(=O)(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000057526580 168927024 /nfs/dbraw/zinc/92/70/24/168927024.db2.gz YKMHRJYVUGTDFJ-SDDRHHMPSA-N 0 0 247.404 2.531 50 0 BFAARN CCCCS(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000013321812 168927769 /nfs/dbraw/zinc/92/77/69/168927769.db2.gz DVWWJYXDFXLGBJ-UHFFFAOYSA-N 0 0 241.356 2.845 50 0 BFAARN O=c1[nH]c(-c2ccccc2)nc2ccc(F)cc21 ZINC000048606607 182970116 /nfs/dbraw/zinc/97/01/16/182970116.db2.gz YBGVJFZTKPJHFV-UHFFFAOYSA-N 0 0 240.237 2.729 50 0 BFAARN O=c1[nH]c(Nc2ccccc2)nc2ccccc21 ZINC000018240664 182972579 /nfs/dbraw/zinc/97/25/79/182972579.db2.gz RACLRJZSLQLCFA-UHFFFAOYSA-N 0 0 237.262 2.667 50 0 BFAARN O=c1[nH]c2ccc(C(F)(F)F)cc2s1 ZINC000014985073 182973582 /nfs/dbraw/zinc/97/35/82/182973582.db2.gz KEZZFJQCDUJFJY-UHFFFAOYSA-N 0 0 219.187 2.608 50 0 BFAARN O=c1[nH]c2ccccc2nc1Nc1ccccc1 ZINC000021364693 182975525 /nfs/dbraw/zinc/97/55/25/182975525.db2.gz PBDYBTRQKOMYFD-UHFFFAOYSA-N 0 0 237.262 2.667 50 0 BFAARN O=c1onc(Cc2ccccc2)c2ccccc21 ZINC000000502507 183013250 /nfs/dbraw/zinc/01/32/50/183013250.db2.gz RZUOWTIYGMTNHO-UHFFFAOYSA-N 0 0 237.258 2.779 50 0 BFAARN O=c1ccc(Sc2ccccc2)c[nH]1 ZINC000059943947 183000143 /nfs/dbraw/zinc/00/01/43/183000143.db2.gz WMDGJJWDXKBQIZ-UHFFFAOYSA-N 0 0 203.266 2.526 50 0 BFAARN O=c1ccccn1Cc1cc(Cl)ccc1F ZINC000195576564 183001965 /nfs/dbraw/zinc/00/19/65/183001965.db2.gz MYIBYQKHJKGENO-UHFFFAOYSA-N 0 0 237.661 2.689 50 0 BFAARN O=c1cccc(-c2cccc3cccnc32)[nH]1 ZINC000065507770 183002481 /nfs/dbraw/zinc/00/24/81/183002481.db2.gz SJXFMFYSLMWNKZ-UHFFFAOYSA-N 0 0 222.247 2.590 50 0 BFAARN O=c1ccccn1Cc1cccc(Cl)c1 ZINC000032741454 183002680 /nfs/dbraw/zinc/00/26/80/183002680.db2.gz DKCLLNCIWCEVCR-UHFFFAOYSA-N 0 0 219.671 2.550 50 0 BFAARN O=c1ccccn1Cc1ccccc1Cl ZINC000032741455 183002826 /nfs/dbraw/zinc/00/28/26/183002826.db2.gz HYLHAHVYNGEQHP-UHFFFAOYSA-N 0 0 219.671 2.550 50 0 BFAARN O=c1ccnc(Nc2cccc3ccccc32)[nH]1 ZINC000004368106 183005534 /nfs/dbraw/zinc/00/55/34/183005534.db2.gz JRLQLKTVGXVLOW-UHFFFAOYSA-N 0 0 237.262 2.667 50 0 BFAARN O=c1nc(-c2ccccc2)c2ccccc2[nH]1 ZINC000015446030 183008978 /nfs/dbraw/zinc/00/89/78/183008978.db2.gz FHUBTSLLILWICW-UHFFFAOYSA-N 0 0 222.247 2.590 50 0 BFAARN OC1(/C=C/C2(O)CCCCC2)CCCCC1 ZINC000004612938 183016070 /nfs/dbraw/zinc/01/60/70/183016070.db2.gz GYIMVWOXBGYPCQ-VAWYXSNFSA-N 0 0 224.344 2.933 50 0 BFAARN OCCSc1cccc(Br)c1 ZINC000055308200 183089371 /nfs/dbraw/zinc/08/93/71/183089371.db2.gz NQYDJXDWLOXBOZ-UHFFFAOYSA-N 0 0 233.130 2.534 50 0 BFAARN CCCC[C@H]1OC(=O)c2cc(N)ccc21 ZINC000033975451 169014802 /nfs/dbraw/zinc/01/48/02/169014802.db2.gz DQBGVUCLKLYTJM-LLVKDONJSA-N 0 0 205.257 2.671 50 0 BFAARN CCCCc1ccc(C(=O)NC2CC2)cc1 ZINC000013329254 169019815 /nfs/dbraw/zinc/01/98/15/169019815.db2.gz CNOPIWCDTNUSMV-UHFFFAOYSA-N 0 0 217.312 2.921 50 0 BFAARN OC[C@H](Nc1ccccc1)c1ccccc1 ZINC000038112765 183142381 /nfs/dbraw/zinc/14/23/81/183142381.db2.gz SZYXTSZZPUQJNB-AWEZNQCLSA-N 0 0 213.280 2.832 50 0 BFAARN OC[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000062720173 183156548 /nfs/dbraw/zinc/15/65/48/183156548.db2.gz HNPYNZPAPFEJFT-SCZZXKLOSA-N 0 0 227.101 2.545 50 0 BFAARN OCc1ccc(Br)cc1Cl ZINC000037367594 183163579 /nfs/dbraw/zinc/16/35/79/183163579.db2.gz PAQVZCDJJABVMB-UHFFFAOYSA-N 0 0 221.481 2.595 50 0 BFAARN OCc1ccc(Cl)c(NCc2cccnc2)c1 ZINC000096489079 183164621 /nfs/dbraw/zinc/16/46/21/183164621.db2.gz KNVTUKMASPGZRI-UHFFFAOYSA-N 0 0 248.713 2.839 50 0 BFAARN OC[C@H](c1ccccc1)c1ccccc1O ZINC000004824034 183144750 /nfs/dbraw/zinc/14/47/50/183144750.db2.gz MKKQQHGJBDZKPX-CYBMUJFWSA-N 0 0 214.264 2.516 50 0 BFAARN O[C@@H](Cc1ccc(Br)cc1)C1CC1 ZINC000037465574 183183369 /nfs/dbraw/zinc/18/33/69/183183369.db2.gz RTNMPZADQXXCDT-NSHDSACASA-N 0 0 241.128 2.763 50 0 BFAARN OCc1cccc(Cl)c1Br ZINC000095642847 183166804 /nfs/dbraw/zinc/16/68/04/183166804.db2.gz ZXQXFGIIUDAGJU-UHFFFAOYSA-N 0 0 221.481 2.595 50 0 BFAARN OCc1cccc(C(F)(F)F)c1Cl ZINC000002382218 183167039 /nfs/dbraw/zinc/16/70/39/183167039.db2.gz MQUXXVLMXCHGDZ-UHFFFAOYSA-N 0 0 210.582 2.851 50 0 BFAARN OCc1cccc(COc2ccccc2)c1 ZINC000012370747 183167492 /nfs/dbraw/zinc/16/74/92/183167492.db2.gz ZKZSJQJXKWKOJY-UHFFFAOYSA-N 0 0 214.264 2.758 50 0 BFAARN O[C@H]([C@@H](O)C1CCCCC1)C1CCCCC1 ZINC000000388521 183172408 /nfs/dbraw/zinc/17/24/08/183172408.db2.gz CKHLARJSOMXDKL-KBPBESRZSA-N 0 0 226.360 2.869 50 0 BFAARN O[C@@H](c1ccccc1Cl)C(F)(F)F ZINC000034381090 183185495 /nfs/dbraw/zinc/18/54/95/183185495.db2.gz HCCWDTPILJKWCQ-ZETCQYMHSA-N 0 0 210.582 2.936 50 0 BFAARN O[C@@H]1CCc2cc(C(F)(F)F)ccc21 ZINC000021300508 183207169 /nfs/dbraw/zinc/20/71/69/183207169.db2.gz FLQUVMBVTFSJRY-SECBINFHSA-N 0 0 202.175 2.685 50 0 BFAARN CCCN(C)C(=O)c1ccccc1CC ZINC000119498935 169063346 /nfs/dbraw/zinc/06/33/46/169063346.db2.gz LPBPOSMTVNNQAA-UHFFFAOYSA-N 0 0 205.301 2.731 50 0 BFAARN O[C@@]1(c2ccccc2)CCCC[C@@H]1n1ccnc1 ZINC000071766379 183217770 /nfs/dbraw/zinc/21/77/70/183217770.db2.gz RUDCNMBGHILUDS-LSDHHAIUSA-N 0 0 242.322 2.886 50 0 BFAARN O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC000061893937 183227088 /nfs/dbraw/zinc/22/70/88/183227088.db2.gz IYYUIIVBJNRBSG-MRVPVSSYSA-N 0 0 224.609 2.806 50 0 BFAARN O[C@H](c1ccccc1)c1ccncc1Cl ZINC000035287471 183229338 /nfs/dbraw/zinc/22/93/38/183229338.db2.gz ASILDIOFOLPMLX-GFCCVEGCSA-N 0 0 219.671 2.817 50 0 BFAARN O[C@@H](c1c[nH]c2ccccc21)c1ccccn1 ZINC000000119562 183230644 /nfs/dbraw/zinc/23/06/44/183230644.db2.gz XTNHYMXOUCGEHA-AWEZNQCLSA-N 0 0 224.263 2.645 50 0 BFAARN O[C@@H]1O[C@H](c2ccccc2)c2ccccc21 ZINC000071773898 183212809 /nfs/dbraw/zinc/21/28/09/183212809.db2.gz XAXUZULEMMAVME-ZIAGYGMSSA-N 0 0 212.248 2.797 50 0 BFAARN CCOc1c(F)ccc(C(C)=O)c1F ZINC000038529960 170514728 /nfs/dbraw/zinc/51/47/28/170514728.db2.gz WKSSJUBUQZDDLP-UHFFFAOYSA-N 0 0 200.184 2.566 50 0 BFAARN O[C@H]1CCCC[C@@H]1n1cnc2ccccc21 ZINC000012323769 183232515 /nfs/dbraw/zinc/23/25/15/183232515.db2.gz VUBLCPRAFDAFRO-STQMWFEESA-N 0 0 216.284 2.512 50 0 BFAARN O=c1ccc(-c2nc3ccccc3o2)c[nH]1 ZINC000008729886 183266483 /nfs/dbraw/zinc/26/64/83/183266483.db2.gz WBFJUDPHTWHSSS-UHFFFAOYSA-N 0 0 212.208 2.595 50 0 BFAARN Oc1ccc(Br)c(Cl)c1 ZINC000002545221 183267176 /nfs/dbraw/zinc/26/71/76/183267176.db2.gz FQEYHIPPYOSPLF-UHFFFAOYSA-N 0 0 207.454 2.808 50 0 BFAARN Oc1ccc(C(=S)N2CCCCCC2)cc1 ZINC000013126199 183268119 /nfs/dbraw/zinc/26/81/19/183268119.db2.gz BKPRZAGIVFQQJB-UHFFFAOYSA-N 0 0 235.352 2.944 50 0 BFAARN Oc1ccc(Cl)cc1-c1csnn1 ZINC000004343263 183271692 /nfs/dbraw/zinc/27/16/92/183271692.db2.gz XDEAAEHLSPSZCX-UHFFFAOYSA-N 0 0 212.661 2.564 50 0 BFAARN Oc1ccc(F)c([C@@H](O)c2cccc(F)c2)c1 ZINC000261493752 183273240 /nfs/dbraw/zinc/27/32/40/183273240.db2.gz IOYPEJWEABBJCA-ZDUSSCGKSA-N 0 0 236.217 2.752 50 0 BFAARN CCCN(CC1CC1)C(=O)[C@@H]1CC=CCC1 ZINC000052934468 169135144 /nfs/dbraw/zinc/13/51/44/169135144.db2.gz WSLRNUVOKQBCEY-CYBMUJFWSA-N 0 0 221.344 2.991 50 0 BFAARN Oc1cc(Cl)c(F)c(Br)c1 ZINC000216703919 183256496 /nfs/dbraw/zinc/25/64/96/183256496.db2.gz YBLPEACXXWQZDV-UHFFFAOYSA-N 0 0 225.444 2.947 50 0 BFAARN Oc1cc(Br)cc2[nH]ccc21 ZINC000014983087 183257119 /nfs/dbraw/zinc/25/71/19/183257119.db2.gz HHYWLIRDFVYLRO-UHFFFAOYSA-N 0 0 212.046 2.636 50 0 BFAARN O=c1cc(Cl)c(-c2ccccc2)n[nH]1 ZINC000008681121 183257715 /nfs/dbraw/zinc/25/77/15/183257715.db2.gz ZIBQCQDAFOPHBJ-UHFFFAOYSA-N 0 0 206.632 2.503 50 0 BFAARN CCCN(CCC)C(=O)N[C@H](C)CC ZINC000013745903 169143901 /nfs/dbraw/zinc/14/39/01/169143901.db2.gz VYVSMUCIHZTSJP-SNVBAGLBSA-N 0 0 200.326 2.617 50 0 BFAARN CCCN(CCC)C(=O)c1cc(C2CC2)on1 ZINC000040493316 169144831 /nfs/dbraw/zinc/14/48/31/169144831.db2.gz UWRMJOBVXYLOIP-UHFFFAOYSA-N 0 0 236.315 2.814 50 0 BFAARN Oc1cc(O)cc(/C=C/c2c(O)cccc2O)c1 ZINC000013340267 183260338 /nfs/dbraw/zinc/26/03/38/183260338.db2.gz DQULNTWGBBNZSC-SNAWJCMRSA-N 0 0 244.246 2.679 50 0 biogenic BFAARN CCCN(CCC)C(=O)c1ccc(N)cc1 ZINC000012138092 169145899 /nfs/dbraw/zinc/14/58/99/169145899.db2.gz YZZJRTKRDSVWQU-UHFFFAOYSA-N 0 0 220.316 2.531 50 0 BFAARN CCCN(CCC)C(=O)c1ccc(C)n1C ZINC000053365799 169145950 /nfs/dbraw/zinc/14/59/50/169145950.db2.gz COKVVNWTLNHAQF-UHFFFAOYSA-N 0 0 222.332 2.596 50 0 BFAARN Oc1ccc2ccncc2c1Br ZINC000039119744 183285028 /nfs/dbraw/zinc/28/50/28/183285028.db2.gz IWMFRPFEEWSQIY-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Oc1ccc2ncc(Br)cc2c1 ZINC000034370194 183286523 /nfs/dbraw/zinc/28/65/23/183286523.db2.gz IGCRMJVOMNKTGB-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN CCCN(CCC)c1nc(Cl)nc(Cl)n1 ZINC000000247018 169153747 /nfs/dbraw/zinc/15/37/47/169153747.db2.gz YLIZLYJYOVJNHX-UHFFFAOYSA-N 0 0 249.145 2.805 50 0 BFAARN O=c1cccc2[nH]c(OC(F)F)ccc1-2 ZINC000091362291 183298187 /nfs/dbraw/zinc/29/81/87/183298187.db2.gz JKLNEZHZMJUKMG-UHFFFAOYSA-N 0 0 211.167 2.542 50 0 BFAARN Oc1ccccc1OCc1nc2ccccc2[nH]1 ZINC000003122975 183304189 /nfs/dbraw/zinc/30/41/89/183304189.db2.gz NLWXPSUAGPROBJ-UHFFFAOYSA-N 0 0 240.262 2.848 50 0 BFAARN Oc1cnc2c(cccc2C(F)(F)F)c1 ZINC000095616421 183305492 /nfs/dbraw/zinc/30/54/92/183305492.db2.gz QCSXDNLSKDXEOX-UHFFFAOYSA-N 0 0 213.158 2.959 50 0 BFAARN [O-][n+]1cccc(Oc2cccc(Cl)c2)c1 ZINC000071773328 183318727 /nfs/dbraw/zinc/31/87/27/183318727.db2.gz GRCLRWIIFWIFME-UHFFFAOYSA-N 0 0 221.643 2.766 50 0 BFAARN S=C(NCc1ccccc1)NC1CCCCC1 ZINC000000066610 183311622 /nfs/dbraw/zinc/31/16/22/183311622.db2.gz WUJPBZFYSNBQRH-UHFFFAOYSA-N 0 0 248.395 2.983 50 0 BFAARN S=c1[nH]c(Cc2ccccc2)cs1 ZINC000012648968 183312193 /nfs/dbraw/zinc/31/21/93/183312193.db2.gz IWBSEFOGZJBCGR-UHFFFAOYSA-N 0 0 207.323 2.702 50 0 BFAARN S=C(c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000000218300 183312579 /nfs/dbraw/zinc/31/25/79/183312579.db2.gz GRKFQNCLGKIJKV-UHFFFAOYSA-N 0 0 249.335 2.577 50 0 BFAARN CCCNC(=O)COc1ccc2ccccc2c1 ZINC000002956403 169231866 /nfs/dbraw/zinc/23/18/66/169231866.db2.gz YMTHWRMESHZYNV-UHFFFAOYSA-N 0 0 243.306 2.745 50 0 BFAARN CCCNC(=O)CSCc1ccc(C)cc1 ZINC000004690755 169231904 /nfs/dbraw/zinc/23/19/04/169231904.db2.gz GFVJYZJUPYBTAG-UHFFFAOYSA-N 0 0 237.368 2.754 50 0 BFAARN CCCNC(=O)Cc1c(F)cccc1Cl ZINC000004704416 169232577 /nfs/dbraw/zinc/23/25/77/169232577.db2.gz XYDPKWONBYEICV-UHFFFAOYSA-N 0 0 229.682 2.548 50 0 BFAARN CCCNC(=O)CCc1ccc2ccccc2n1 ZINC000082263952 169218228 /nfs/dbraw/zinc/21/82/28/169218228.db2.gz ZLCSHVSNZGBBBO-UHFFFAOYSA-N 0 0 242.322 2.694 50 0 BFAARN CCCNC(=O)c1oc2ccccc2c1C ZINC000002510418 169254127 /nfs/dbraw/zinc/25/41/27/169254127.db2.gz IICUCKCUFCKWDN-UHFFFAOYSA-N 0 0 217.268 2.881 50 0 BFAARN c1cc(-c2nnc(C3CCC3)o2)cc2c1OCO2 ZINC000064556990 183366271 /nfs/dbraw/zinc/36/62/71/183366271.db2.gz JGTLLIKXHGTPSM-UHFFFAOYSA-N 0 0 244.250 2.733 50 0 BFAARN c1cc2c3c(cccc3c1)C(N1CCOCC1)=N2 ZINC000000127455 183374479 /nfs/dbraw/zinc/37/44/79/183374479.db2.gz ZAFFOYFXCGQCEV-UHFFFAOYSA-N 0 0 238.290 2.564 50 0 BFAARN c1cc2cc(-c3n[nH]c(C4CC4)n3)ccc2[nH]1 ZINC000067974894 183375027 /nfs/dbraw/zinc/37/50/27/183375027.db2.gz LMKFLDPRTPZWLW-UHFFFAOYSA-N 0 0 224.267 2.830 50 0 BFAARN c1cc(-c2ccccc2)oc1CNc1nc[nH]n1 ZINC000016577386 183379701 /nfs/dbraw/zinc/37/97/01/183379701.db2.gz CJQZBKAMFHCQCU-UHFFFAOYSA-N 0 0 240.266 2.677 50 0 BFAARN c1ccc(-c2cnc(N3CCCC3)cn2)cc1 ZINC000012357186 183380588 /nfs/dbraw/zinc/38/05/88/183380588.db2.gz WHYKKVDUOXOPAX-UHFFFAOYSA-N 0 0 225.295 2.744 50 0 BFAARN c1ccc(-c2ccnc(N3CCCC3)n2)cc1 ZINC000067320821 183381174 /nfs/dbraw/zinc/38/11/74/183381174.db2.gz QHMSWZMAROGSNQ-UHFFFAOYSA-N 0 0 225.295 2.744 50 0 BFAARN c1ccc(-c2nc(-c3ccccn3)no2)cc1 ZINC000000238248 183381759 /nfs/dbraw/zinc/38/17/59/183381759.db2.gz VMDCHMHYENMYCK-UHFFFAOYSA-N 0 0 223.235 2.799 50 0 BFAARN c1ccc(-c2nnc(-c3cccnc3)[nH]2)cc1 ZINC000013118308 183382070 /nfs/dbraw/zinc/38/20/70/183382070.db2.gz LYJGTNPLWZSTJL-UHFFFAOYSA-N 0 0 222.251 2.534 50 0 BFAARN CCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000005468601 169247428 /nfs/dbraw/zinc/24/74/28/169247428.db2.gz GFQZRWARHUUGKQ-VIFPVBQESA-N 0 0 241.718 2.634 50 0 BFAARN c1nnc2c3ccccc3nc(-c3ccccc3)n12 ZINC000000793345 183383599 /nfs/dbraw/zinc/38/35/99/183383599.db2.gz JXNCKUNFELPBJQ-UHFFFAOYSA-N 0 0 246.273 2.945 50 0 BFAARN CCCNC(=O)c1cccc(NC(=O)CCC)c1 ZINC000012404284 169252921 /nfs/dbraw/zinc/25/29/21/169252921.db2.gz HLYPYMLMYSPLFQ-UHFFFAOYSA-N 0 0 248.326 2.565 50 0 BFAARN CCCOC(=O)Nc1cc(C)ccc1OC ZINC000002166549 169298543 /nfs/dbraw/zinc/29/85/43/169298543.db2.gz MIIZTBFHTIFTLP-UHFFFAOYSA-N 0 0 223.272 2.962 50 0 BFAARN CCCOCCOc1ccc(N)cc1Cl ZINC000014630031 169310093 /nfs/dbraw/zinc/31/00/93/169310093.db2.gz OKVUPXBWTGIMBC-UHFFFAOYSA-N 0 0 229.707 2.728 50 0 BFAARN CCCOc1cc(O)cc(Br)c1 ZINC000261494154 169315286 /nfs/dbraw/zinc/31/52/86/169315286.db2.gz RDYAZFWZFARONZ-UHFFFAOYSA-N 0 0 231.089 2.944 50 0 BFAARN CCCSc1nnc(-c2cccnc2)o1 ZINC000044865818 169342003 /nfs/dbraw/zinc/34/20/03/169342003.db2.gz IDSYBAQTWGGZPO-UHFFFAOYSA-N 0 0 221.285 2.634 50 0 BFAARN CCCOc1ccc(NC(=O)CC)cc1 ZINC000004747007 169319960 /nfs/dbraw/zinc/31/99/60/169319960.db2.gz KLSOQOUVXZTSBM-UHFFFAOYSA-N 0 0 207.273 2.824 50 0 BFAARN CCCOc1ccc(NC(=O)OC)cc1 ZINC000074983473 169320376 /nfs/dbraw/zinc/32/03/76/169320376.db2.gz YUHKTXULCGYWTC-UHFFFAOYSA-N 0 0 209.245 2.654 50 0 BFAARN CCCOc1ccccc1C(=O)NCC(C)C ZINC000096319245 169326983 /nfs/dbraw/zinc/32/69/83/169326983.db2.gz OIUXBPSIVZFUSP-UHFFFAOYSA-N 0 0 235.327 2.861 50 0 BFAARN CCC[C@@H](C)NC(=O)COc1cccc(C)c1C ZINC000049783157 169367012 /nfs/dbraw/zinc/36/70/12/169367012.db2.gz CHJGQYHAUPDIST-GFCCVEGCSA-N 0 0 249.354 2.987 50 0 BFAARN CCC[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000002752132 169349038 /nfs/dbraw/zinc/34/90/38/169349038.db2.gz SXNGFYCOKWTRKW-GRYCIOLGSA-N 0 0 211.349 2.927 50 0 BFAARN c1nc2ccccc2n1CNc1cccnc1 ZINC000001021632 183496262 /nfs/dbraw/zinc/49/62/62/183496262.db2.gz FOJZRAIQQMNNFS-UHFFFAOYSA-N 0 0 224.267 2.501 50 0 BFAARN c1coc(-c2nnc3sc(C4CCC4)nn32)c1 ZINC000036357748 183505034 /nfs/dbraw/zinc/50/50/34/183505034.db2.gz LPTOWLYFIRYXKR-UHFFFAOYSA-N 0 0 246.295 2.713 50 0 BFAARN CC(C)(C)OC(=O)N1C(=O)CC12CCCCC2 ZINC000039170971 166643034 /nfs/dbraw/zinc/64/30/34/166643034.db2.gz ZJFMAHQODPBPGJ-UHFFFAOYSA-N 0 0 239.315 2.857 50 0 BFAARN c1nc2cc(-c3ccc4c(c3)OCO4)ccc2[nH]1 ZINC000067674402 183539198 /nfs/dbraw/zinc/53/91/98/183539198.db2.gz LKZCKCIMWBWOKC-UHFFFAOYSA-N 0 0 238.246 2.959 50 0 BFAARN c1ncn(-c2ccc(OC3CCCC3)cc2)n1 ZINC000097114867 183547988 /nfs/dbraw/zinc/54/79/88/183547988.db2.gz IIDUFLCMVKAWNL-UHFFFAOYSA-N 0 0 229.283 2.589 50 0 BFAARN CC(C)(C)OC(=O)N1CCC(C(F)F)CC1 ZINC000071257512 166646911 /nfs/dbraw/zinc/64/69/11/166646911.db2.gz UZTUVAKJCZJUJS-UHFFFAOYSA-N 0 0 235.274 2.899 50 0 BFAARN CCC[C@H](C(=O)N[C@H](C)COC)c1ccccc1 ZINC000065621872 169466852 /nfs/dbraw/zinc/46/68/52/169466852.db2.gz PEXNPUNIMLLHFL-OCCSQVGLSA-N 0 0 249.354 2.721 50 0 BFAARN CCC[C@H](C)C(=O)Nc1cc(C)ccn1 ZINC000000030569 169474238 /nfs/dbraw/zinc/47/42/38/169474238.db2.gz JFEFOZMFWWXJFG-JTQLQIEISA-N 0 0 206.289 2.765 50 0 BFAARN CCC[C@H](C)NC(=O)CCc1ccccc1 ZINC000002191075 169492088 /nfs/dbraw/zinc/49/20/88/169492088.db2.gz BSXVMJIPVITBTM-LBPRGKRZSA-N 0 0 219.328 2.924 50 0 biogenic BFAARN CCCc1ccccc1NC(=O)N1CCOCC1 ZINC000044080252 169577969 /nfs/dbraw/zinc/57/79/69/169577969.db2.gz PPLCVRKCILZSTH-UHFFFAOYSA-N 0 0 248.326 2.503 50 0 BFAARN CCCc1nc(Cc2ccc(OC)cc2)no1 ZINC000001205791 169591035 /nfs/dbraw/zinc/59/10/35/169591035.db2.gz OLCJYPCCXRWGBT-UHFFFAOYSA-N 0 0 232.283 2.622 50 0 BFAARN CCCc1ncnc2cc(OC)c(OC)cc21 ZINC000000406626 169596941 /nfs/dbraw/zinc/59/69/41/169596941.db2.gz DQHGTGPWVKITMT-UHFFFAOYSA-N 0 0 232.283 2.600 50 0 BFAARN CCN(C(=O)c1ccoc1)c1cccnc1C ZINC000253432673 169660170 /nfs/dbraw/zinc/66/01/70/169660170.db2.gz MKKZDTUDNIZZDB-UHFFFAOYSA-N 0 0 230.267 2.650 50 0 BFAARN CCN(C(=O)c1ccncc1)c1ccccc1 ZINC000000329733 169660270 /nfs/dbraw/zinc/66/02/70/169660270.db2.gz BQIDVMJHAKTWSV-UHFFFAOYSA-N 0 0 226.279 2.748 50 0 BFAARN O=C1N[C@@H](C2CCCCC2)Nc2ccccc21 ZINC000000101946 383827056 /nfs/dbraw/zinc/82/70/56/383827056.db2.gz SSILWQXUCHXMTP-ZDUSSCGKSA-N 0 0 230.311 2.748 50 0 BFAARN O=C(/C=C/c1ccccc1)Nc1nccs1 ZINC000000038680 383820093 /nfs/dbraw/zinc/82/00/93/383820093.db2.gz HKTMXBUQDTYWOK-VOTSOKGWSA-N 0 0 230.292 2.795 50 0 BFAARN O=C(/C=C/c1ccco1)Nc1ccccc1 ZINC000000070484 383820932 /nfs/dbraw/zinc/82/09/32/383820932.db2.gz MCMXBVCCALXJPS-CMDGGOBGSA-N 0 0 213.236 2.932 50 0 BFAARN CN(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000000064455 383822018 /nfs/dbraw/zinc/82/20/18/383822018.db2.gz GRFBWSZPLRQGMH-UHFFFAOYSA-N 0 0 239.318 2.888 50 0 BFAARN Cc1nnc2c3c4c(sc3ncn12)CCCC4 ZINC000000156877 383835549 /nfs/dbraw/zinc/83/55/49/383835549.db2.gz MUNPYAZQQWYCOH-UHFFFAOYSA-N 0 0 244.323 2.526 50 0 BFAARN Cc1ccc(Oc2ccc(C=O)cn2)cc1 ZINC000000169499 383839239 /nfs/dbraw/zinc/83/92/39/383839239.db2.gz SISORSWVBWIJDU-UHFFFAOYSA-N 0 0 213.236 2.995 50 0 BFAARN COC(=O)c1ccc(-c2ccc(N)cc2)cc1 ZINC000000168493 383839636 /nfs/dbraw/zinc/83/96/36/383839636.db2.gz KKPVZEJEFMQVSQ-UHFFFAOYSA-N 0 0 227.263 2.722 50 0 BFAARN O=Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000000168834 383839773 /nfs/dbraw/zinc/83/97/73/383839773.db2.gz RAYKWSXEKZURTM-UHFFFAOYSA-N 0 0 222.247 2.838 50 0 BFAARN CC(=O)c1ccc(-n2nncc2C(C)(C)C)cc1 ZINC000000192394 383842777 /nfs/dbraw/zinc/84/27/77/383842777.db2.gz RJAKAKYIGDUYCG-UHFFFAOYSA-N 0 0 243.310 2.767 50 0 BFAARN CC1(C)C(=O)Nc2cccc(Br)c21 ZINC000066054812 383844811 /nfs/dbraw/zinc/84/48/11/383844811.db2.gz JOYAZIZUUBNQFV-UHFFFAOYSA-N 0 0 240.100 2.679 50 0 BFAARN CSC(=S)n1c(C)nc2ccccc21 ZINC000000268803 383847437 /nfs/dbraw/zinc/84/74/37/383847437.db2.gz FTFZUIXUESLUPI-UHFFFAOYSA-N 0 0 222.338 2.841 50 0 BFAARN CNc1nnc(SCc2ccccc2)s1 ZINC000000314319 383853673 /nfs/dbraw/zinc/85/36/73/383853673.db2.gz KFLNRVSOQJTXDG-UHFFFAOYSA-N 0 0 237.353 2.872 50 0 BFAARN Cc1cc(C)[n+](-c2ccccc2C(=O)[O-])c(C)c1 ZINC000000336854 383856711 /nfs/dbraw/zinc/85/67/11/383856711.db2.gz VFKLFDFKIGUUCT-UHFFFAOYSA-O 0 0 242.298 2.587 50 0 BFAARN COc1cc(Cl)ncc1Br ZINC000066327913 383857069 /nfs/dbraw/zinc/85/70/69/383857069.db2.gz UUWWGXPWPZJEMG-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN Cc1oncc1C(=O)Nc1cc(C)ccc1C ZINC000000385196 383862163 /nfs/dbraw/zinc/86/21/63/383862163.db2.gz WFBFWKCJPPEAOP-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN c1ccc(N2CCN(c3ccccc3)C2)cc1 ZINC000000400513 383864031 /nfs/dbraw/zinc/86/40/31/383864031.db2.gz WYEYGPJVIZYKNM-UHFFFAOYSA-N 0 0 224.307 2.971 50 0 BFAARN CN(Cc1ccccc1)C(=O)NC(C)(C)C ZINC000000398769 383864315 /nfs/dbraw/zinc/86/43/15/383864315.db2.gz CNXDJYKMOUWVSR-UHFFFAOYSA-N 0 0 220.316 2.627 50 0 BFAARN O=Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000000446137 383867508 /nfs/dbraw/zinc/86/75/08/383867508.db2.gz FDZVXJJNBAJELS-UHFFFAOYSA-N 0 0 249.273 2.747 50 0 BFAARN Cc1nnc(NC(=O)c2ccc(C)c(C)c2)s1 ZINC000000455590 383867565 /nfs/dbraw/zinc/86/75/65/383867565.db2.gz VJNQNTOGWKECKG-UHFFFAOYSA-N 0 0 247.323 2.716 50 0 BFAARN Cc1ccc(C(=O)Nc2ccccc2O)cc1 ZINC000000127846 383831186 /nfs/dbraw/zinc/83/11/86/383831186.db2.gz MIDBXGKRBJJUCE-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN CC(C)CCC(=O)OC[C@H]1CCCCO1 ZINC000098070519 383907766 /nfs/dbraw/zinc/90/77/66/383907766.db2.gz GKTQUKHQVATAJN-LLVKDONJSA-N 0 0 214.305 2.535 50 0 BFAARN Cc1ccc(C)c(I)c1 ZINC000001672848 383920204 /nfs/dbraw/zinc/92/02/04/383920204.db2.gz WYZVNUSNUCABRF-UHFFFAOYSA-N 0 0 232.064 2.908 50 0 BFAARN Cc1[nH]nc(N)c1-c1ccc(OC(F)F)cc1 ZINC000036935661 383920809 /nfs/dbraw/zinc/92/08/09/383920809.db2.gz RAJRUCIHRXQMJI-UHFFFAOYSA-N 0 0 239.225 2.569 50 0 BFAARN CC(=O)c1cccc(-c2n[nH]c(CC(C)C)n2)c1 ZINC000067676411 383935123 /nfs/dbraw/zinc/93/51/23/383935123.db2.gz GXZCKKHNKYXALL-UHFFFAOYSA-N 0 0 243.310 2.873 50 0 BFAARN Cc1ccc(C(=O)Nc2cccc(CO)c2)cc1 ZINC000001060560 383887902 /nfs/dbraw/zinc/88/79/02/383887902.db2.gz XIOYJNXVYPCADC-UHFFFAOYSA-N 0 0 241.290 2.740 50 0 BFAARN COC(=O)/C=C/c1cc2ccccc2o1 ZINC000001392014 383895984 /nfs/dbraw/zinc/89/59/84/383895984.db2.gz AEIWLZWROAICTP-VOTSOKGWSA-N 0 0 202.209 2.619 50 0 BFAARN Cc1ccn2cc(-c3cccc(N)c3)nc2c1 ZINC000001390337 383896567 /nfs/dbraw/zinc/89/65/67/383896567.db2.gz CWUVBFCZNNSLPY-UHFFFAOYSA-N 0 0 223.279 2.892 50 0 BFAARN Cc1ccc(Sc2cnc(N)nc2C)cc1 ZINC000001387386 383896756 /nfs/dbraw/zinc/89/67/56/383896756.db2.gz SBRIMEKGYPIRFX-UHFFFAOYSA-N 0 0 231.324 2.827 50 0 BFAARN O=C(Nc1nccs1)[C@H]1C[C@@H]1c1ccccc1 ZINC000000196537 383898515 /nfs/dbraw/zinc/89/85/15/383898515.db2.gz ZOOMNALRJFPRHO-MNOVXSKESA-N 0 0 244.319 2.885 50 0 BFAARN O=Cc1cccc(Cl)c1Br ZINC000036533244 383903104 /nfs/dbraw/zinc/90/31/04/383903104.db2.gz VEJPLARLFWIYNM-UHFFFAOYSA-N 0 0 219.465 2.915 50 0 BFAARN O=C(/C=C/c1ccccc1Cl)N1CCCC1 ZINC000001480339 383903275 /nfs/dbraw/zinc/90/32/75/383903275.db2.gz AEBYEKGSMWKKRH-BQYQJAHWSA-N 0 0 235.714 2.976 50 0 BFAARN O=C1CC(c2ccco2)=Nc2ccccc2N1 ZINC000100898105 383903787 /nfs/dbraw/zinc/90/37/87/383903787.db2.gz ZOJLKJWDGDZCLL-UHFFFAOYSA-N 0 0 226.235 2.743 50 0 BFAARN O=Cc1ccc(OC(=O)c2cccs2)cc1 ZINC000002572316 383978960 /nfs/dbraw/zinc/97/89/60/383978960.db2.gz HVYYUBIHDHBJTG-UHFFFAOYSA-N 0 0 232.260 2.780 50 0 BFAARN COc1ccc(Br)c(F)c1 ZINC000002574363 383979025 /nfs/dbraw/zinc/97/90/25/383979025.db2.gz XANVIFOBBVAKCY-UHFFFAOYSA-N 0 0 205.026 2.597 50 0 in-vitro BFAARN O=Cc1ccc(OC(F)F)c(Cl)c1 ZINC000037594104 383985205 /nfs/dbraw/zinc/98/52/05/383985205.db2.gz SOADXOUDBMSWGQ-UHFFFAOYSA-N 0 0 206.575 2.754 50 0 BFAARN c1ncn(-c2ccc(NCC3CCCC3)cc2)n1 ZINC000050271931 383988230 /nfs/dbraw/zinc/98/82/30/383988230.db2.gz HXYSPHBTBRMUMO-UHFFFAOYSA-N 0 0 242.326 2.869 50 0 BFAARN O=C(C1CCCC1)N1CCOc2cc(F)ccc21 ZINC000089807218 383996076 /nfs/dbraw/zinc/99/60/76/383996076.db2.gz AXOYRJYKQZIGBP-UHFFFAOYSA-N 0 0 249.285 2.741 50 0 BFAARN C[C@H]1Sc2ccccc2NC(=O)[C@H]1C ZINC000003126997 383998902 /nfs/dbraw/zinc/99/89/02/383998902.db2.gz GTUFEXDPRZPSSZ-JGVFFNPUSA-N 0 0 207.298 2.755 50 0 BFAARN Clc1ccc(-n2cccc2-c2ncc[nH]2)nc1 ZINC000067726654 383939913 /nfs/dbraw/zinc/93/99/13/383939913.db2.gz UOATUEMJDFLHPJ-UHFFFAOYSA-N 0 0 244.685 2.916 50 0 BFAARN Fc1cc(Br)cc2c1NCC2 ZINC000037116750 383942019 /nfs/dbraw/zinc/94/20/19/383942019.db2.gz MJEHMLBMHVDGEB-UHFFFAOYSA-N 0 0 216.053 2.556 50 0 BFAARN c1n[nH]c2cc(NCc3cccnc3)ccc12 ZINC000037134204 383944676 /nfs/dbraw/zinc/94/46/76/383944676.db2.gz MODCDMXXWXCGLF-UHFFFAOYSA-N 0 0 224.267 2.570 50 0 BFAARN CCC/C=C/c1cc(-n2cccn2)nc(C)n1 ZINC000067880054 383956127 /nfs/dbraw/zinc/95/61/27/383956127.db2.gz PWCJTIADYPCHKD-FNORWQNLSA-N 0 0 228.299 2.784 50 0 BFAARN O=Cc1c(F)cc(Br)c(F)c1F ZINC000002243328 383957073 /nfs/dbraw/zinc/95/70/73/383957073.db2.gz LYPYTFIWASJIRU-UHFFFAOYSA-N 0 0 238.990 2.679 50 0 BFAARN O=Cc1cc2c(F)cc(F)cc2nc1Cl ZINC000112927587 383958874 /nfs/dbraw/zinc/95/88/74/383958874.db2.gz NHFLCHHJWIUYNO-UHFFFAOYSA-N 0 0 227.597 2.979 50 0 BFAARN CC(C)CCC[C@@H]1CN(C(=O)C(C)C)CCO1 ZINC000067919766 383960184 /nfs/dbraw/zinc/96/01/84/383960184.db2.gz HBDARNUVIBVIGQ-CYBMUJFWSA-N 0 0 241.375 2.696 50 0 BFAARN COc1ccc(C[C@H]2CCCC(=O)C2)cc1 ZINC000002514129 383969219 /nfs/dbraw/zinc/96/92/19/383969219.db2.gz HRUCIIVYHABPSG-GFCCVEGCSA-N 0 0 218.296 2.997 50 0 BFAARN Cn1cccc1C(=O)C(Cl)(Cl)Cl ZINC000002510204 383969440 /nfs/dbraw/zinc/96/94/40/383969440.db2.gz LWGNISUGCOYWRL-UHFFFAOYSA-N 0 0 226.490 2.578 50 0 BFAARN Cc1cc(C(=O)Nc2ccccc2)nc(Cl)n1 ZINC000002557674 383974102 /nfs/dbraw/zinc/97/41/02/383974102.db2.gz IYSNJNBDNRELDZ-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN COC(=O)/C=C/c1ccccc1C(F)(F)F ZINC000002540450 383974439 /nfs/dbraw/zinc/97/44/39/383974439.db2.gz FKNSNJMXPAZNKV-VOTSOKGWSA-N 0 0 230.185 2.892 50 0 BFAARN O=Cc1cccc(OC(=O)c2ccccc2)c1 ZINC000002568890 383975498 /nfs/dbraw/zinc/97/54/98/383975498.db2.gz GLPVHTPQFPBPNA-UHFFFAOYSA-N 0 0 226.231 2.718 50 0 BFAARN CC(=O)c1cc(C)ccc1OC(F)F ZINC000003319675 384005917 /nfs/dbraw/zinc/00/59/17/384005917.db2.gz ALAHRPOVQLLMQE-UHFFFAOYSA-N 0 0 200.184 2.799 50 0 BFAARN CC(=O)N(CC1CCC1)c1ccccc1 ZINC000089930353 384010703 /nfs/dbraw/zinc/01/07/03/384010703.db2.gz LRXFOKZNXPTOTM-UHFFFAOYSA-N 0 0 203.285 2.840 50 0 BFAARN CCCCNc1cc(-c2ccccc2)nc(N)n1 ZINC000068754952 384013582 /nfs/dbraw/zinc/01/35/82/384013582.db2.gz SPFCBZYRAAVAJV-UHFFFAOYSA-N 0 0 242.326 2.938 50 0 BFAARN COC(=N)c1ccc(C(F)(F)F)cc1 ZINC000037928063 384042754 /nfs/dbraw/zinc/04/27/54/384042754.db2.gz JNQSYMIOZLXDEP-UHFFFAOYSA-N 0 0 203.163 2.677 50 0 BFAARN Cc1nc(-c2cccc(C=O)c2)cs1 ZINC000004200649 384043852 /nfs/dbraw/zinc/04/38/52/384043852.db2.gz FQQPVEKQPGDYPD-UHFFFAOYSA-N 0 0 203.266 2.931 50 0 BFAARN COC(=O)c1cc2ccc(SC)cc2[nH]1 ZINC000004235072 384049657 /nfs/dbraw/zinc/04/96/57/384049657.db2.gz WIDPUEXDDQAFTO-UHFFFAOYSA-N 0 0 221.281 2.676 50 0 BFAARN O=Cc1nc(-c2ccccc2)n2ccccc12 ZINC000003947250 384033521 /nfs/dbraw/zinc/03/35/21/384033521.db2.gz JWNWWOLANIRMII-UHFFFAOYSA-N 0 0 222.247 2.814 50 0 BFAARN CC(=O)C(Cc1c(F)cccc1Cl)C(C)=O ZINC000004024076 384034663 /nfs/dbraw/zinc/03/46/63/384034663.db2.gz FTRLVIOOYBLOFY-UHFFFAOYSA-N 0 0 242.677 2.816 50 0 BFAARN O=C1N[C@@H](c2cccs2)Nc2ccccc21 ZINC000004083113 384038682 /nfs/dbraw/zinc/03/86/82/384038682.db2.gz ZYBQITBKNGCUHV-NSHDSACASA-N 0 0 230.292 2.602 50 0 BFAARN CNc1c(Cl)c(F)nc(F)c1Cl ZINC000004105456 384039767 /nfs/dbraw/zinc/03/97/67/384039767.db2.gz RALRHMDYHYIJLG-UHFFFAOYSA-N 0 0 213.014 2.708 50 0 BFAARN O=C1N=NC(c2ccc(Cl)s2)CS1 ZINC000000341090 384083314 /nfs/dbraw/zinc/08/33/14/384083314.db2.gz BXCMGCHGDYQATF-UHFFFAOYSA-N 0 0 232.717 2.562 50 0 BFAARN CCCCc1ccccc1NC(=O)COC ZINC000004670520 384059231 /nfs/dbraw/zinc/05/92/31/384059231.db2.gz VYQHIMQCRQPZOE-UHFFFAOYSA-N 0 0 221.300 2.614 50 0 BFAARN CCCC(C)(C)NC(=O)Cc1cccc(OC)c1 ZINC000050498433 384064075 /nfs/dbraw/zinc/06/40/75/384064075.db2.gz WSHNPZVLWZSKBQ-UHFFFAOYSA-N 0 0 249.354 2.933 50 0 BFAARN Clc1cccc(CCNc2ncccn2)c1 ZINC000060462551 384064094 /nfs/dbraw/zinc/06/40/94/384064094.db2.gz JLZUYKZWAPJSKU-UHFFFAOYSA-N 0 0 233.702 2.785 50 0 BFAARN CCCC(C)(C)NC(=O)Cc1ccc(OC)cc1 ZINC000050498056 384065641 /nfs/dbraw/zinc/06/56/41/384065641.db2.gz ZURORAHMBLXXDP-UHFFFAOYSA-N 0 0 249.354 2.933 50 0 BFAARN O=C(/C=C/c1ccco1)NCc1ccc(F)cc1 ZINC000004715982 384077124 /nfs/dbraw/zinc/07/71/24/384077124.db2.gz XLLFVULPPOKHKG-BQYQJAHWSA-N 0 0 245.253 2.748 50 0 BFAARN CC(=O)c1cc(F)ccc1Br ZINC000038339171 384081132 /nfs/dbraw/zinc/08/11/32/384081132.db2.gz BQXROZQUDCJBBY-UHFFFAOYSA-N 0 0 217.037 2.791 50 0 BFAARN C[C@@H](CCCC(C)(C)O)NC(=O)c1ccccc1 ZINC000038869553 384097512 /nfs/dbraw/zinc/09/75/12/384097512.db2.gz SIKLNRKYQTZWLZ-LBPRGKRZSA-N 0 0 249.354 2.746 50 0 BFAARN CC(C)(C)OC(=O)Nc1cc(F)ccn1 ZINC000091305092 384118210 /nfs/dbraw/zinc/11/82/10/384118210.db2.gz VIUIAFNUKMJWFD-UHFFFAOYSA-N 0 0 212.224 2.568 50 0 BFAARN Cc1n[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000005322400 384108562 /nfs/dbraw/zinc/10/85/62/384108562.db2.gz YZTNVMBGBSOLFL-LLVKDONJSA-N 0 0 226.279 2.631 50 0 BFAARN O=c1ccc(-c2ccccn2)cn1-c1ccccc1 ZINC000091293271 384114447 /nfs/dbraw/zinc/11/44/47/384114447.db2.gz JHBMGQOABUXDND-UHFFFAOYSA-N 0 0 248.285 2.900 50 0 BFAARN O=C1CCc2c1ccc(F)c2C(F)(F)F ZINC000116389961 384134718 /nfs/dbraw/zinc/13/47/18/384134718.db2.gz WXOZFYKRSAKMLY-UHFFFAOYSA-N 0 0 218.149 2.973 50 0 BFAARN CCc1ccccc1N(C(=O)OC)C(=O)OC ZINC000039953715 384124421 /nfs/dbraw/zinc/12/44/21/384124421.db2.gz IJOYUBPKPCAWDR-UHFFFAOYSA-N 0 0 237.255 2.588 50 0 BFAARN CC(=O)OC[C@]12CC=C(C)[C@H]([C@@H](C)OC1)[C@@H]2C ZINC000000362123 384131900 /nfs/dbraw/zinc/13/19/00/384131900.db2.gz KSCMOJQRHWGLDT-XCCSTKFXSA-N 0 0 238.327 2.557 50 0 biogenic BFAARN CCc1ccc(C(=O)c2ccc(N)cc2)o1 ZINC000070671406 384131924 /nfs/dbraw/zinc/13/19/24/384131924.db2.gz BPAFWMNPPPZERW-UHFFFAOYSA-N 0 0 215.252 2.655 50 0 BFAARN Cc1noc(NC(=O)Oc2ccccc2)c1C ZINC000040449951 384153808 /nfs/dbraw/zinc/15/38/08/384153808.db2.gz ZLQFRMUGCHAKPH-UHFFFAOYSA-N 0 0 232.239 2.902 50 0 BFAARN Nc1cc2c(Br)cccc2cn1 ZINC000091692371 384138301 /nfs/dbraw/zinc/13/83/01/384138301.db2.gz VZWSVFLRMXYQLA-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN C[C@@H](NC(=O)c1ccccc1F)c1ccncc1 ZINC000006125124 384145920 /nfs/dbraw/zinc/14/59/20/384145920.db2.gz AKUHURJFCOTJAK-SNVBAGLBSA-N 0 0 244.269 2.712 50 0 BFAARN FC(F)c1ccc(Br)cn1 ZINC000071623849 384173460 /nfs/dbraw/zinc/17/34/60/384173460.db2.gz QXLZRIGSWWQOLG-UHFFFAOYSA-N 0 0 208.005 2.782 50 0 BFAARN Cc1ccnc(NC(=O)NCc2cccs2)c1 ZINC000097372778 384175505 /nfs/dbraw/zinc/17/55/05/384175505.db2.gz KRHBSCFKBIBNGO-UHFFFAOYSA-N 0 0 247.323 2.773 50 0 BFAARN CC[C@H]1CCCC[C@@H]1OC(=O)CCCOC ZINC000097364035 384159978 /nfs/dbraw/zinc/15/99/78/384159978.db2.gz FDPYPCWSEVDKEM-RYUDHWBXSA-N 0 0 228.332 2.925 50 0 BFAARN C=CN1CCCC[C@@H](C(=O)c2ccccc2)C1=O ZINC000006658275 384160050 /nfs/dbraw/zinc/16/00/50/384160050.db2.gz IOIMHZKQVYKGLR-ZDUSSCGKSA-N 0 0 243.306 2.642 50 0 BFAARN C[C@H](NC(=O)c1ccccc1O)C(C)(C)C ZINC000006668516 384163407 /nfs/dbraw/zinc/16/34/07/384163407.db2.gz IYBICXLRHUZDPV-VIFPVBQESA-N 0 0 221.300 2.557 50 0 BFAARN Cc1cc(C)c(C(=O)Nc2ccon2)c(C)c1 ZINC000006731412 384164800 /nfs/dbraw/zinc/16/48/00/384164800.db2.gz ZYQRCRSRTKQMML-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN COC(=O)c1cccc(-c2cccnc2)c1 ZINC000006712827 384164828 /nfs/dbraw/zinc/16/48/28/384164828.db2.gz HLFKAFNNGCVRIQ-UHFFFAOYSA-N 0 0 213.236 2.535 50 0 BFAARN Cc1noc(C)c1C(=O)N1CCCCCCC1 ZINC000006731588 384165986 /nfs/dbraw/zinc/16/59/86/384165986.db2.gz QDSGQKZBWCHZPV-UHFFFAOYSA-N 0 0 236.315 2.698 50 0 BFAARN COC(=O)c1cc(-c2ccccc2)n(C)c1C ZINC000006750301 384167986 /nfs/dbraw/zinc/16/79/86/384167986.db2.gz FYKKINOAOXEGCA-UHFFFAOYSA-N 0 0 229.279 2.787 50 0 BFAARN Cc1cc(C(=O)Nc2cnn(C)c2C)sc1C ZINC000002730958 384184964 /nfs/dbraw/zinc/18/49/64/384184964.db2.gz FHQOPBAEKQAMJY-UHFFFAOYSA-N 0 0 249.339 2.659 50 0 BFAARN C[C@@H]1[C@H](C)C1(Br)Br ZINC000071775028 384178451 /nfs/dbraw/zinc/17/84/51/384178451.db2.gz LHYCCVIMMLLDLH-ZXZARUISSA-N 0 0 227.927 2.758 50 0 BFAARN CC(C)(C)OC(=O)N[C@@H]1CCCc2cccnc21 ZINC000071863740 384183918 /nfs/dbraw/zinc/18/39/18/384183918.db2.gz IPGXGELCTJPNDX-LLVKDONJSA-N 0 0 248.326 2.984 50 0 BFAARN CC(C)(C)OC(=O)Nc1cccc2onc(N)c21 ZINC000071863728 384184243 /nfs/dbraw/zinc/18/42/43/384184243.db2.gz RVZPFWIMBSBCOC-UHFFFAOYSA-N 0 0 249.270 2.757 50 0 BFAARN Cc1ccc(S[C@H](C)C(=O)N(C)C)cc1C ZINC000072276969 384203478 /nfs/dbraw/zinc/20/34/78/384203478.db2.gz XTRQBDWQJQFLEJ-LLVKDONJSA-N 0 0 237.368 2.872 50 0 BFAARN Cn1c(-c2ccccc2)cc2cc[nH]c(=O)c21 ZINC000072266656 384204610 /nfs/dbraw/zinc/20/46/10/384204610.db2.gz HSKUAZNCNMLDCC-UHFFFAOYSA-N 0 0 224.263 2.534 50 0 BFAARN C[C@@H](O)Cc1cc(F)cc(Br)c1 ZINC000072305102 384205708 /nfs/dbraw/zinc/20/57/08/384205708.db2.gz YQUVXYWQOWWRGT-ZCFIWIBFSA-N 0 0 233.080 2.512 50 0 BFAARN CC(=O)c1c(F)cccc1Br ZINC000072338571 384207324 /nfs/dbraw/zinc/20/73/24/384207324.db2.gz ZTLLHQUYOLPVAR-UHFFFAOYSA-N 0 0 217.037 2.791 50 0 BFAARN Cc1nn(C(C)C)c(C)c1Br ZINC000041367408 384188254 /nfs/dbraw/zinc/18/82/54/384188254.db2.gz CXKZTTNVIBHWAQ-UHFFFAOYSA-N 0 0 217.110 2.843 50 0 BFAARN Cc1nsc(N2CC[C@H]3CCCC[C@H]32)n1 ZINC000248012893 384234620 /nfs/dbraw/zinc/23/46/20/384234620.db2.gz GTEJYDFRXBXOBZ-NXEZZACHSA-N 0 0 223.345 2.615 50 0 BFAARN FC(F)(F)c1ccc2c(c1)NCCO2 ZINC000008699806 384209056 /nfs/dbraw/zinc/20/90/56/384209056.db2.gz RJCKEXMCUNMOAQ-UHFFFAOYSA-N 0 0 203.163 2.510 50 0 BFAARN Cc1n[nH]c2ccc(Br)cc12 ZINC000008700324 384209077 /nfs/dbraw/zinc/20/90/77/384209077.db2.gz XDJNHYAQZWCIAH-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN O=Cc1cn(Cc2cccnc2)c2ccccc12 ZINC000008702348 384209105 /nfs/dbraw/zinc/20/91/05/384209105.db2.gz IZVHSPWRENAINT-UHFFFAOYSA-N 0 0 236.274 2.897 50 0 BFAARN O=C(/C=C/c1cccnc1)Nc1cccc(F)c1 ZINC000036397604 384241301 /nfs/dbraw/zinc/24/13/01/384241301.db2.gz UMYWXISSWBGHDH-VOTSOKGWSA-N 0 0 242.253 2.873 50 0 BFAARN COC(=O)c1cc(C(F)(F)F)ccc1F ZINC000008762650 384214277 /nfs/dbraw/zinc/21/42/77/384214277.db2.gz UAEUYKATVUSDCK-UHFFFAOYSA-N 0 0 222.137 2.631 50 0 BFAARN CC(C)CC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000336428529 384227336 /nfs/dbraw/zinc/22/73/36/384227336.db2.gz KIOJUWQKWCHNSD-SECBINFHSA-N 0 0 219.275 2.727 50 0 BFAARN CN(CCC(F)(F)F)C(=O)C[C@@H]1C=CCC1 ZINC000097680621 384255419 /nfs/dbraw/zinc/25/54/19/384255419.db2.gz RAGMOFVYOSXZFT-SECBINFHSA-N 0 0 235.249 2.754 50 0 BFAARN Cc1ccnc(NC(=O)C2CCCCC2)c1 ZINC000000240877 384264893 /nfs/dbraw/zinc/26/48/93/384264893.db2.gz OWDGEVYSKQXIPT-UHFFFAOYSA-N 0 0 218.300 2.909 50 0 BFAARN CC[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000000029514 384273594 /nfs/dbraw/zinc/27/35/94/384273594.db2.gz VJWRIEFAIWFTHG-SECBINFHSA-N 0 0 227.329 2.572 50 0 BFAARN CC(=O)c1c(O)cc(C)n(C2CCCCC2)c1=O ZINC000011990487 384304012 /nfs/dbraw/zinc/30/40/12/384304012.db2.gz FCHZDWABXSQUQP-UHFFFAOYSA-N 0 0 249.310 2.570 50 0 BFAARN COC(=O)c1ccc(OC)cc1C(F)(F)F ZINC000044200003 384322281 /nfs/dbraw/zinc/32/22/81/384322281.db2.gz VNWHVTUCXGRFIT-UHFFFAOYSA-N 0 0 234.173 2.501 50 0 BFAARN CCN(CC)C(=O)Cc1cccc(Cl)c1 ZINC000074927234 384310364 /nfs/dbraw/zinc/31/03/64/384310364.db2.gz OQHRCIVTUGYTIT-UHFFFAOYSA-N 0 0 225.719 2.751 50 0 BFAARN Cc1noc(-c2ccccc2Br)n1 ZINC000012370398 384313388 /nfs/dbraw/zinc/31/33/88/384313388.db2.gz NYAFKUCVAVUCHW-UHFFFAOYSA-N 0 0 239.072 2.808 50 0 BFAARN CC(=O)c1sc(-c2cccnc2)nc1C ZINC000012408492 384318209 /nfs/dbraw/zinc/31/82/09/384318209.db2.gz NWSRUSOSLHVWOZ-UHFFFAOYSA-N 0 0 218.281 2.716 50 0 BFAARN COC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000044199559 384320922 /nfs/dbraw/zinc/32/09/22/384320922.db2.gz NLARJSCTWHCNMQ-UHFFFAOYSA-N 0 0 222.137 2.631 50 0 BFAARN Cc1ccc2c(c1)[C@H](Nc1ccnc(C)n1)CO2 ZINC000097016218 384284562 /nfs/dbraw/zinc/28/45/62/384284562.db2.gz RODUULJNTBPAOU-GFCCVEGCSA-N 0 0 241.294 2.639 50 0 BFAARN C=CC(=O)Nc1cc(-c2ccnn2C)ccc1C ZINC000408525958 384292361 /nfs/dbraw/zinc/29/23/61/384292361.db2.gz XZDHSLSKGAJTSI-UHFFFAOYSA-N 0 0 241.294 2.520 50 0 BFAARN C[C@@H](CSCC(=O)NC1CC1)c1ccccc1 ZINC000097046911 384303554 /nfs/dbraw/zinc/30/35/54/384303554.db2.gz KEFNPLRUNRCPRJ-NSHDSACASA-N 0 0 249.379 2.802 50 0 BFAARN CC(C)CCNC(=O)c1ccc(F)cc1 ZINC000000477594 384338385 /nfs/dbraw/zinc/33/83/85/384338385.db2.gz AEHCDQCYHVRHSL-UHFFFAOYSA-N 0 0 209.264 2.602 50 0 BFAARN CC(C)CCNC(=O)Cc1c[nH]c2ccccc12 ZINC000012893439 384341237 /nfs/dbraw/zinc/34/12/37/384341237.db2.gz XDBISSYTLBFZHP-UHFFFAOYSA-N 0 0 244.338 2.873 50 0 biogenic BFAARN CC(=O)c1c(F)cc(Br)cc1F ZINC000075844353 384341381 /nfs/dbraw/zinc/34/13/81/384341381.db2.gz TUDMLHCSUOCGMM-UHFFFAOYSA-N 0 0 235.027 2.930 50 0 BFAARN Cc1ccc(C(=O)N[C@@H](C)C2CC2)s1 ZINC000012903916 384341983 /nfs/dbraw/zinc/34/19/83/384341983.db2.gz REUXOIYENRMTCD-QMMMGPOBSA-N 0 0 209.314 2.585 50 0 BFAARN C[C@@H](NC(=O)c1ccco1)c1cccc(F)c1 ZINC000013012446 384345580 /nfs/dbraw/zinc/34/55/80/384345580.db2.gz WPCHGEWAFPPQTR-SECBINFHSA-N 0 0 233.242 2.910 50 0 BFAARN Oc1cccc(NCc2nc3c(s2)CCC3)c1 ZINC000097104738 384358178 /nfs/dbraw/zinc/35/81/78/384358178.db2.gz NJMBSMDOLWZPTF-UHFFFAOYSA-N 0 0 246.335 2.950 50 0 BFAARN Cc1ccc([C@@H]2Cc3oncc3C(=O)C2)s1 ZINC000095117802 384364906 /nfs/dbraw/zinc/36/49/06/384364906.db2.gz UHRQLWAGKOUROW-QMMMGPOBSA-N 0 0 233.292 2.957 50 0 BFAARN Cc1ccc(C)c(O[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000013710114 384368364 /nfs/dbraw/zinc/36/83/64/384368364.db2.gz YPELQVOIZISWPE-GFCCVEGCSA-N 0 0 249.354 2.985 50 0 BFAARN O=C(Nc1nccs1)c1c[nH]c2ccccc12 ZINC000013655967 384369108 /nfs/dbraw/zinc/36/91/08/384369108.db2.gz LNXVDESQMJEDIF-UHFFFAOYSA-N 0 0 243.291 2.877 50 0 BFAARN FC1(F)CCN(c2nnc(C3CCC3)o2)CC1 ZINC000095355273 384372395 /nfs/dbraw/zinc/37/23/95/384372395.db2.gz ULYSGMGHHTVYSM-UHFFFAOYSA-N 0 0 243.257 2.573 50 0 BFAARN O=C1Oc2ccccc2/C1=C/c1cccc(O)c1 ZINC000061190149 384333535 /nfs/dbraw/zinc/33/35/35/384333535.db2.gz UHYBDARJSVRFKM-LCYFTJDESA-N 0 0 238.242 2.852 50 0 BFAARN Cc1c2nc[nH]c2ccc1Br ZINC000077011523 384392597 /nfs/dbraw/zinc/39/25/97/384392597.db2.gz JNXOUOKRAGYUNE-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN CC(C)(C)OC(=O)Nc1cn(C2CC2)cn1 ZINC000095829799 384399662 /nfs/dbraw/zinc/39/96/62/384399662.db2.gz FISWOBWGDDHBLL-UHFFFAOYSA-N 0 0 223.276 2.565 50 0 BFAARN Cc1ccnc(Sc2ccc(N)cc2)n1 ZINC000001501377 384403430 /nfs/dbraw/zinc/40/34/30/384403430.db2.gz MVKZLXKKLBRMPQ-UHFFFAOYSA-N 0 0 217.297 2.518 50 0 BFAARN Cc1ccc(C(=O)Nc2nccs2)cc1 ZINC000015224318 384426729 /nfs/dbraw/zinc/42/67/29/384426729.db2.gz XLNBGXSUYFKJFF-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN COC(=O)c1cc(Cl)cc(Cl)c1OC ZINC000045920750 384414029 /nfs/dbraw/zinc/41/40/29/384414029.db2.gz WYTVRNKHBROSCB-UHFFFAOYSA-N 0 0 235.066 2.789 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(F)c1F ZINC000015002895 384415260 /nfs/dbraw/zinc/41/52/60/384415260.db2.gz KGRUTMGZAZREQL-PHDIDXHHSA-N 0 0 229.201 2.698 50 0 BFAARN Nc1cccc2sc(Br)nc21 ZINC000095950005 384419202 /nfs/dbraw/zinc/41/92/02/384419202.db2.gz BFSAWMAUOZAYGX-UHFFFAOYSA-N 0 0 229.102 2.641 50 0 BFAARN CC1(C)CC(=O)Nc2c(Cl)cccc21 ZINC000095496139 384381148 /nfs/dbraw/zinc/38/11/48/384381148.db2.gz DKDXVAZEBXCVKQ-UHFFFAOYSA-N 0 0 209.676 2.960 50 0 BFAARN CSc1cc(F)cnc1Br ZINC000095616436 384383117 /nfs/dbraw/zinc/38/31/17/384383117.db2.gz HAXAGOWQZKIMTG-UHFFFAOYSA-N 0 0 222.082 2.705 50 0 BFAARN Nc1nccc2c(Br)csc21 ZINC000095629892 384384579 /nfs/dbraw/zinc/38/45/79/384384579.db2.gz QDSYOJPMDVXZIR-UHFFFAOYSA-N 0 0 229.102 2.641 50 0 BFAARN COC(=O)c1ccc(Br)c(C)c1C ZINC000095642857 384388463 /nfs/dbraw/zinc/38/84/63/384388463.db2.gz OBGPZONEGQIWOS-UHFFFAOYSA-N 0 0 243.100 2.853 50 0 BFAARN COC(=O)c1ccccc1-c1ccc(O)cc1 ZINC000014444238 384389155 /nfs/dbraw/zinc/38/91/55/384389155.db2.gz SYUYIZNZGCNURJ-UHFFFAOYSA-N 0 0 228.247 2.846 50 0 BFAARN O=C(CC[C@H]1CCCO1)OC[C@H]1CC=CCC1 ZINC000097213156 384445920 /nfs/dbraw/zinc/44/59/20/384445920.db2.gz AWIUNVJQQPDLIL-QWHCGFSZSA-N 0 0 238.327 2.845 50 0 BFAARN CCOP(=O)(Nc1cccc(C)n1)OCC ZINC000015953403 384447604 /nfs/dbraw/zinc/44/76/04/384447604.db2.gz KLFDCZLHSYPFNH-UHFFFAOYSA-N 0 0 244.231 2.983 50 0 BFAARN O=C(C1CC1)N1CCCCc2ccccc21 ZINC000078644593 384454948 /nfs/dbraw/zinc/45/49/48/384454948.db2.gz ASPYMPAEHSYHHU-UHFFFAOYSA-N 0 0 215.296 2.766 50 0 BFAARN Cc1ccc(C(=O)Nc2cccnc2)s1 ZINC000016604602 384461695 /nfs/dbraw/zinc/46/16/95/384461695.db2.gz IBWDDFOLIBUUKX-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN Cc1ccnc(NC(=O)Nc2ccc(F)cc2)n1 ZINC000016973161 384475704 /nfs/dbraw/zinc/47/57/04/384475704.db2.gz OPGBXSDNJILBBO-UHFFFAOYSA-N 0 0 246.245 2.568 50 0 BFAARN C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)NCC2CC2)o1 ZINC000096993631 384483334 /nfs/dbraw/zinc/48/33/34/384483334.db2.gz GZZFZYWRWCYFPS-BJCHJDTNSA-N 0 0 245.322 2.942 50 0 BFAARN Cc1ccc(C(=O)Nc2ccc(O)cc2)o1 ZINC000016475082 384458130 /nfs/dbraw/zinc/45/81/30/384458130.db2.gz UQMNRQHIORVLKD-UHFFFAOYSA-N 0 0 217.224 2.546 50 0 BFAARN CCOc1ccc(F)c(Br)c1 ZINC000137053625 384518423 /nfs/dbraw/zinc/51/84/23/384518423.db2.gz QGNZBLWPGNSKII-UHFFFAOYSA-N 0 0 219.053 2.987 50 0 BFAARN Nc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000019385684 384519440 /nfs/dbraw/zinc/51/94/40/384519440.db2.gz CFAKQLAZXZWZLX-UHFFFAOYSA-N 0 0 230.054 2.626 50 0 BFAARN CS[C@H](C)C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000098010574 384520107 /nfs/dbraw/zinc/52/01/07/384520107.db2.gz DIEXCLHTYSOWDB-KKOKHZNYSA-N 0 0 241.400 2.918 50 0 BFAARN C[C@@H]1[C@H](C)SCCN1C(=O)c1ccsc1 ZINC000098010482 384520904 /nfs/dbraw/zinc/52/09/04/384520904.db2.gz GDJVJNCMOWJSRA-BDAKNGLRSA-N 0 0 241.381 2.714 50 0 BFAARN FC(F)(F)Oc1cccc(Br)n1 ZINC000097463398 384524055 /nfs/dbraw/zinc/52/40/55/384524055.db2.gz XFMZIKXSFFBKBZ-UHFFFAOYSA-N 0 0 241.994 2.743 50 0 BFAARN COC(=O)c1cc(C)nc2ccc(C)cc21 ZINC000006279184 384525978 /nfs/dbraw/zinc/52/59/78/384525978.db2.gz BDOORBRWEMYQFI-UHFFFAOYSA-N 0 0 215.252 2.638 50 0 BFAARN CC(=O)c1cccc(NC(=O)CC(F)(F)F)c1 ZINC000019512574 384529046 /nfs/dbraw/zinc/52/90/46/384529046.db2.gz XEABRPIJNOQAJU-UHFFFAOYSA-N 0 0 245.200 2.780 50 0 BFAARN COC(=O)c1ccncc1-c1ccc(OC)cc1 ZINC000097757064 384554225 /nfs/dbraw/zinc/55/42/25/384554225.db2.gz WTFGCMXNBMFBTF-UHFFFAOYSA-N 0 0 243.262 2.544 50 0 BFAARN COC(=O)C(F)(F)c1ccccc1Cl ZINC000097756856 384554827 /nfs/dbraw/zinc/55/48/27/384554827.db2.gz CEMQXYMELNVHCH-UHFFFAOYSA-N 0 0 220.602 2.605 50 0 BFAARN Cc1c(Cl)cccc1NCc1ncc[nH]1 ZINC000049714492 384557811 /nfs/dbraw/zinc/55/78/11/384557811.db2.gz AUUVMJSAOOKIQZ-UHFFFAOYSA-N 0 0 221.691 2.984 50 0 BFAARN CCC[C@H](C)NC(=O)Cc1cccc(F)c1 ZINC000019934948 384559533 /nfs/dbraw/zinc/55/95/33/384559533.db2.gz GLCDTORRHOQMBT-JTQLQIEISA-N 0 0 223.291 2.673 50 0 BFAARN c1sc2ccccc2c1CN1CCOCC1 ZINC000019801356 384540170 /nfs/dbraw/zinc/54/01/70/384540170.db2.gz KMLVYAPRKUSISV-UHFFFAOYSA-N 0 0 233.336 2.734 50 0 BFAARN COC(=O)/C=C/SC(=S)c1ccccc1 ZINC000020085930 384574690 /nfs/dbraw/zinc/57/46/90/384574690.db2.gz MNWPPIMXXKMBSA-BQYQJAHWSA-N 0 0 238.333 2.782 50 0 BFAARN COc1c(Cl)cc(C=O)c(C)c1F ZINC000098073375 384590488 /nfs/dbraw/zinc/59/04/88/384590488.db2.gz VILWOSMVUDTFHT-UHFFFAOYSA-N 0 0 202.612 2.609 50 0 BFAARN CCS[C@@H]1CCN(c2ccccc2)C1=O ZINC000068953464 384582905 /nfs/dbraw/zinc/58/29/05/384582905.db2.gz HNMUEQPVBKCXNW-LLVKDONJSA-N 0 0 221.325 2.545 50 0 BFAARN CCCCNC(=O)Nc1cccc2c1NCCC2 ZINC000020256964 384606214 /nfs/dbraw/zinc/60/62/14/384606214.db2.gz GKVWUBRPGGYGBL-UHFFFAOYSA-N 0 0 247.342 2.966 50 0 BFAARN O=C1CC(=O)CC(/C=C/c2ccccc2)C1 ZINC000100014302 384608337 /nfs/dbraw/zinc/60/83/37/384608337.db2.gz IHWMFTYONQTXED-VOTSOKGWSA-N 0 0 214.264 2.638 50 0 BFAARN O=C(c1ccc(O)cc1F)N1CCC2(CCC2)C1 ZINC000097046612 384595441 /nfs/dbraw/zinc/59/54/41/384595441.db2.gz BDMBGFBIVBXJLG-UHFFFAOYSA-N 0 0 249.285 2.548 50 0 BFAARN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCS1 ZINC000082337155 384670085 /nfs/dbraw/zinc/67/00/85/384670085.db2.gz PMOZJGGKZVTQIS-MFKMUULPSA-N 0 0 247.363 2.860 50 0 BFAARN CC(C)CC(=O)N(Cc1ccncc1)C1CC1 ZINC000050821939 384645636 /nfs/dbraw/zinc/64/56/36/384645636.db2.gz IFEVNRDPMMEDEH-UHFFFAOYSA-N 0 0 232.327 2.619 50 0 BFAARN O=C(c1ccc(Cl)cc1F)N1CCCC1 ZINC000050823297 384646659 /nfs/dbraw/zinc/64/66/59/384646659.db2.gz SNCAEFUVPBKXKP-UHFFFAOYSA-N 0 0 227.666 2.715 50 0 BFAARN CCCn1nnnc1CSc1ccccc1C ZINC000072013964 384647113 /nfs/dbraw/zinc/64/71/13/384647113.db2.gz GKFIVIGLBNAMJW-UHFFFAOYSA-N 0 0 248.355 2.684 50 0 BFAARN C[C@]1(Cn2ccnc2-c2ccncc2)CCCO1 ZINC000082156547 384648238 /nfs/dbraw/zinc/64/82/38/384648238.db2.gz KOVCADIYXLAUDH-CQSZACIVSA-N 0 0 243.310 2.514 50 0 BFAARN O=C([O-])CCC1CC[NH+](C2CCCC2)CC1 ZINC000050926149 384650473 /nfs/dbraw/zinc/65/04/73/384650473.db2.gz MECLYRMZUGBAFH-UHFFFAOYSA-N 0 0 225.332 2.506 50 0 BFAARN Nc1ccc2[nH]ccc2c1Br ZINC000082373792 384675636 /nfs/dbraw/zinc/67/56/36/384675636.db2.gz SWHSDPBTUKCMCJ-UHFFFAOYSA-N 0 0 211.062 2.513 50 0 BFAARN Cc1nnc([C@@H](C)Oc2cccc(Cl)c2)[nH]1 ZINC000051018467 384653949 /nfs/dbraw/zinc/65/39/49/384653949.db2.gz VXRAPTHJLFWSEL-SSDOTTSWSA-N 0 0 237.690 2.907 50 0 BFAARN O=C1Nc2ccccc2N=C2CCC[C@H]21 ZINC000100853472 384655991 /nfs/dbraw/zinc/65/59/91/384655991.db2.gz FKFLNGUFPIVPJE-MRVPVSSYSA-N 0 0 200.241 2.511 50 0 BFAARN CC(=O)c1ccc2c(c1O)CCC(C)(C)O2 ZINC000082288500 384658858 /nfs/dbraw/zinc/65/88/58/384658858.db2.gz KKHWUQCBMJLSMW-UHFFFAOYSA-N 0 0 220.268 2.698 50 0 BFAARN O=C1CCCc2nc(Cl)cc(Cl)c21 ZINC000141598245 384677504 /nfs/dbraw/zinc/67/75/04/384677504.db2.gz CSRAYLSWTFMAPH-UHFFFAOYSA-N 0 0 216.067 2.907 50 0 BFAARN Fc1ccc(Br)cc1-c1ncc[nH]1 ZINC000075899039 384693944 /nfs/dbraw/zinc/69/39/44/384693944.db2.gz LGBUPCKKHLJVFJ-UHFFFAOYSA-N 0 0 241.063 2.978 50 0 BFAARN O=C([O-])C[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000021948238 384705521 /nfs/dbraw/zinc/70/55/21/384705521.db2.gz CIEWZKIVDCBVMH-CYBMUJFWSA-N 0 0 233.311 2.688 50 0 BFAARN CC(=O)c1sc(-c2c(C)noc2C)nc1C ZINC000077587746 384706138 /nfs/dbraw/zinc/70/61/38/384706138.db2.gz RXIFCDGSIQUIDQ-UHFFFAOYSA-N 0 0 236.296 2.926 50 0 BFAARN Clc1cccc2ncc(Br)n21 ZINC000051971039 384707622 /nfs/dbraw/zinc/70/76/22/384707622.db2.gz KZGXYGNQLQBWSQ-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN COC[C@@H]1CCN(c2ccnc3ccsc32)C1 ZINC000078296918 384708107 /nfs/dbraw/zinc/70/81/07/384708107.db2.gz NSTBIUFIGFXXCC-SNVBAGLBSA-N 0 0 248.351 2.769 50 0 BFAARN C[C@@H](NC(=O)/C=C\c1ccc(F)cc1)C1CC1 ZINC000078478234 384711472 /nfs/dbraw/zinc/71/14/72/384711472.db2.gz GWKSMFUXOZDKGW-ZUYFITGHSA-N 0 0 233.286 2.754 50 0 BFAARN CCC(=O)NC1(c2nc(C)cs2)CCCC1 ZINC000078673771 384711497 /nfs/dbraw/zinc/71/14/97/384711497.db2.gz UJVWKNHWTVEQQX-UHFFFAOYSA-N 0 0 238.356 2.747 50 0 BFAARN Cc1nc(-c2cc(Br)cs2)no1 ZINC000078774479 384713671 /nfs/dbraw/zinc/71/36/71/384713671.db2.gz SOQRCPKKWJKDOP-UHFFFAOYSA-N 0 0 245.101 2.869 50 0 BFAARN CCOc1cccc(N[C@H](C)COC)c1 ZINC000053195892 384773282 /nfs/dbraw/zinc/77/32/82/384773282.db2.gz MWDJSVWYUMJING-SNVBAGLBSA-N 0 0 209.289 2.532 50 0 BFAARN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1N ZINC000022217781 384743228 /nfs/dbraw/zinc/74/32/28/384743228.db2.gz VHAPCOSHZCMPRJ-QWRGUYRKSA-N 0 0 246.354 2.695 50 0 BFAARN CC(C)[C@H](C)NC(=O)[C@H]1Cc2ccccc2S1 ZINC000022242084 384748705 /nfs/dbraw/zinc/74/87/05/384748705.db2.gz BAGQRSWIZIKLDN-GXFFZTMASA-N 0 0 249.379 2.864 50 0 BFAARN Clc1cc(NCc2cccnc2)ccn1 ZINC000084425087 384760350 /nfs/dbraw/zinc/76/03/50/384760350.db2.gz OULQCFVPCZQGLX-UHFFFAOYSA-N 0 0 219.675 2.742 50 0 BFAARN CC(C)[C@H](C)CC(=O)N[C@H]1CCC[C@@H]1C ZINC000084691757 384763528 /nfs/dbraw/zinc/76/35/28/384763528.db2.gz NKVNHQJBZCFEHP-TUAOUCFPSA-N 0 0 211.349 2.973 50 0 BFAARN COC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000054214482 384827260 /nfs/dbraw/zinc/82/72/60/384827260.db2.gz AEMVTGFZGFVODZ-UHFFFAOYSA-N 0 0 242.274 2.905 50 0 BFAARN FC(F)(F)c1nc(-c2ccc(Cl)nc2)no1 ZINC000026422632 384874090 /nfs/dbraw/zinc/87/40/90/384874090.db2.gz YCZNZYRQOVINBE-UHFFFAOYSA-N 0 0 249.579 2.804 50 0 BFAARN CCOc1cc(C=O)ccc1Br ZINC000085476824 384949381 /nfs/dbraw/zinc/94/93/81/384949381.db2.gz UOTABGHBTFXTCU-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN CCCc1c(N)cnn1-c1ccccc1C ZINC000085634345 384955880 /nfs/dbraw/zinc/95/58/80/384955880.db2.gz GFTVDCJVKQVXRE-UHFFFAOYSA-N 0 0 215.300 2.715 50 0 BFAARN CC(C)CNC(=O)/C=C\c1cccs1 ZINC000033316720 384898225 /nfs/dbraw/zinc/89/82/25/384898225.db2.gz XYMQNLHPNUPZEP-WAYWQWQTSA-N 0 0 209.314 2.534 50 0 BFAARN CCOCCNc1nccc2ccc(F)cc21 ZINC000095443280 384905876 /nfs/dbraw/zinc/90/58/76/384905876.db2.gz MIGHYLNSEPHFSY-UHFFFAOYSA-N 0 0 234.274 2.822 50 0 BFAARN CCSc1cccc(N[C@@H]2CCOC2)c1 ZINC000095971954 384917411 /nfs/dbraw/zinc/91/74/11/384917411.db2.gz SWGOIJQOXHAYIY-LLVKDONJSA-N 0 0 223.341 2.999 50 0 BFAARN Cc1cc(Br)cc(C)c1C=O ZINC000085223401 384927660 /nfs/dbraw/zinc/92/76/60/384927660.db2.gz JFRPWJDOGGLZFS-UHFFFAOYSA-N 0 0 213.074 2.878 50 0 BFAARN O=C(/C=C\c1ccccc1)Nc1nccs1 ZINC000012410240 384932056 /nfs/dbraw/zinc/93/20/56/384932056.db2.gz HKTMXBUQDTYWOK-SREVYHEPSA-N 0 0 230.292 2.795 50 0 BFAARN CSC(C)(C)CNC(=O)Nc1ccccc1 ZINC000096433608 384937915 /nfs/dbraw/zinc/93/79/15/384937915.db2.gz MIGWCRDYZQZTGQ-UHFFFAOYSA-N 0 0 238.356 2.950 50 0 BFAARN O=C1Nc2ccccc2/C1=C\c1ccccn1 ZINC000004773125 384981828 /nfs/dbraw/zinc/98/18/28/384981828.db2.gz YKQONSWBHGBDSB-FMIVXFBMSA-N 0 0 222.247 2.574 50 0 BFAARN Clc1cc(Cl)nc(-c2cccnc2)n1 ZINC000058049101 384982658 /nfs/dbraw/zinc/98/26/58/384982658.db2.gz RECDDDYREDDCDJ-UHFFFAOYSA-N 0 0 226.066 2.845 50 0 BFAARN Cc1ncn(Cc2ccc(C)cc2)c1C ZINC000072282491 384989518 /nfs/dbraw/zinc/98/95/18/384989518.db2.gz MFWCZFYFZDBKDC-UHFFFAOYSA-N 0 0 200.285 2.857 50 0 BFAARN CO[C@H](C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000058268321 384991941 /nfs/dbraw/zinc/99/19/41/384991941.db2.gz BTSOEYUCMSYGQL-IUODEOHRSA-N 0 0 249.354 2.925 50 0 BFAARN O=C(/C=C\c1ccncc1)Nc1cccc(F)c1 ZINC000098054485 385008424 /nfs/dbraw/zinc/00/84/24/385008424.db2.gz IHTSHSKXHWNHBP-PLNGDYQASA-N 0 0 242.253 2.873 50 0 BFAARN CCSc1nncn1CCc1cccs1 ZINC000058474032 385012046 /nfs/dbraw/zinc/01/20/46/385012046.db2.gz FWCGOYOSYBDSIR-UHFFFAOYSA-N 0 0 239.369 2.694 50 0 BFAARN COc1ncccc1-c1ccc([C@@H](C)O)cc1 ZINC000067948088 385048663 /nfs/dbraw/zinc/04/86/63/385048663.db2.gz GTERHFACGMODON-SNVBAGLBSA-N 0 0 229.279 2.811 50 0 BFAARN CC[C@@H](C)N(C)C(=O)Nc1ccccc1 ZINC000059334706 385045319 /nfs/dbraw/zinc/04/53/19/385045319.db2.gz UZSKSZPRIDEHRT-SNVBAGLBSA-N 0 0 206.289 2.949 50 0 BFAARN CC(C)C(=O)NCc1ccccc1OC1CCC1 ZINC000096411095 385122011 /nfs/dbraw/zinc/12/20/11/385122011.db2.gz ZMXJZOZAWYEKLU-UHFFFAOYSA-N 0 0 247.338 2.890 50 0 BFAARN O=CNCC(c1ccccc1)c1ccccc1 ZINC000032207156 385135385 /nfs/dbraw/zinc/13/53/85/385135385.db2.gz PLDXYSLIYFGPAW-UHFFFAOYSA-N 0 0 225.291 2.565 50 0 BFAARN O=C(/C=C\c1ccc(F)cc1)N1CCCCC1 ZINC000005429014 385093103 /nfs/dbraw/zinc/09/31/03/385093103.db2.gz JEDYXKIAEGBYIE-TWGQIWQCSA-N 0 0 233.286 2.851 50 0 BFAARN CN(Cc1ccc(Cl)cc1)C(=O)NC1CC1 ZINC000032843666 385186439 /nfs/dbraw/zinc/18/64/39/385186439.db2.gz KCIIMRBLBFWENO-UHFFFAOYSA-N 0 0 238.718 2.644 50 0 BFAARN C[C@@H](NC(=O)C[C@H]1C=CCC1)c1cccnc1 ZINC000048325884 385187005 /nfs/dbraw/zinc/18/70/05/385187005.db2.gz VMZKWCPJZLLYPZ-NEPJUHHUSA-N 0 0 230.311 2.615 50 0 BFAARN CCSCC[C@H](C)NC(=O)C[C@@H]1C=CCC1 ZINC000096433057 385168656 /nfs/dbraw/zinc/16/86/56/385168656.db2.gz FLDPAJHHNSCHFE-NWDGAFQWSA-N 0 0 241.400 2.991 50 0 BFAARN O=C([O-])C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000089813481 385212381 /nfs/dbraw/zinc/21/23/81/385212381.db2.gz QXKBEWDIDQYACI-NSHDSACASA-N 0 0 239.702 2.562 50 0 BFAARN FC(F)(F)COCCn1cnc2ccccc21 ZINC000096501034 385238681 /nfs/dbraw/zinc/23/86/81/385238681.db2.gz LGPVOQBJSISFPP-UHFFFAOYSA-N 0 0 244.216 2.615 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(Cl)cc2)no1 ZINC000000121957 385239007 /nfs/dbraw/zinc/23/90/07/385239007.db2.gz JNEIYMFQMVIDNT-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN Nc1cc2ccc(Br)cc2cn1 ZINC000064033574 385242641 /nfs/dbraw/zinc/24/26/41/385242641.db2.gz FBTKUAFGTDENLW-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN C[C@H](Cn1cnnc1)c1ccc(Cl)cc1 ZINC000065374729 385302692 /nfs/dbraw/zinc/30/26/92/385302692.db2.gz HIEBWNHAZQAVNO-SECBINFHSA-N 0 0 221.691 2.735 50 0 BFAARN CC[C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000000482781 385306445 /nfs/dbraw/zinc/30/64/45/385306445.db2.gz OOWBFBYEOFBUCX-JTQLQIEISA-N 0 0 241.356 2.962 50 0 BFAARN Clc1cccc(Cn2cnnc2)c1Cl ZINC000065433239 385308407 /nfs/dbraw/zinc/30/84/07/385308407.db2.gz GVSOBCNILLFXOA-UHFFFAOYSA-N 0 0 228.082 2.633 50 0 BFAARN F/C(Br)=C(/F)Br ZINC000064370187 385261010 /nfs/dbraw/zinc/26/10/10/385261010.db2.gz HATFLOWGZBUEIE-OWOJBTEDSA-N 0 0 221.826 2.842 50 0 BFAARN COC(=O)c1c2cc(C(C)C)cccc-2oc1=O ZINC000034147371 385272970 /nfs/dbraw/zinc/27/29/70/385272970.db2.gz HOVPKDFNWCKKGB-UHFFFAOYSA-N 0 0 246.262 2.655 50 0 BFAARN Cc1nc(-c2ccncc2)nc(Cl)c1C ZINC000034563759 385285879 /nfs/dbraw/zinc/28/58/79/385285879.db2.gz SVJUNAJRFDNUHF-UHFFFAOYSA-N 0 0 219.675 2.809 50 0 BFAARN Cc1cc(C)c(NC(=O)[C@@H]2CCCO2)c(C)c1 ZINC000000483738 385338812 /nfs/dbraw/zinc/33/88/12/385338812.db2.gz GNANZGAOCXOCEI-LBPRGKRZSA-N 0 0 233.311 2.729 50 0 BFAARN Cc1csc(NC(=O)N(C(C)C)C2CC2)n1 ZINC000098018594 385358389 /nfs/dbraw/zinc/35/83/89/385358389.db2.gz GCLSIPCNVWIENM-UHFFFAOYSA-N 0 0 239.344 2.856 50 0 BFAARN C(=C/c1ccccc1)\c1nc([C@@H]2CCOC2)no1 ZINC000098019205 385358541 /nfs/dbraw/zinc/35/85/41/385358541.db2.gz YJMHLHZCCOGPPI-NNNHXZLVSA-N 0 0 242.278 2.744 50 0 BFAARN CC(C)CC(=O)Nc1ncccc1Cl ZINC000000484232 385376529 /nfs/dbraw/zinc/37/65/29/385376529.db2.gz VYJPRYBWHMQNDL-UHFFFAOYSA-N 0 0 212.680 2.720 50 0 BFAARN CC[C@H]1CCCCCN1C(=O)c1cc(C)on1 ZINC000155610032 385399861 /nfs/dbraw/zinc/39/98/61/385399861.db2.gz MLOFZGFFLCHQAQ-NSHDSACASA-N 0 0 236.315 2.778 50 0 BFAARN Fc1ccc(OCCC(F)(F)F)nc1 ZINC000169725459 385418245 /nfs/dbraw/zinc/41/82/45/385418245.db2.gz KQGVVQYRUIRFDQ-UHFFFAOYSA-N 0 0 209.142 2.552 50 0 BFAARN CCOc1cccc([C@H](C)NC(=O)C2CC2)c1 ZINC000062909720 385435964 /nfs/dbraw/zinc/43/59/64/385435964.db2.gz RJYQEPMAQUGMMR-JTQLQIEISA-N 0 0 233.311 2.673 50 0 BFAARN CCOc1cccc(NC(=O)Nc2ccon2)c1 ZINC000157037077 385483011 /nfs/dbraw/zinc/48/30/11/385483011.db2.gz OLYZQGGZHLMDCU-UHFFFAOYSA-N 0 0 247.254 2.717 50 0 BFAARN C[C@@H](C[C@@H]1OC[C@@H](C)O1)c1ccccc1 ZINC000101619925 385577019 /nfs/dbraw/zinc/57/70/19/385577019.db2.gz JVVKHPVHCMSPGX-DMDPSCGWSA-N 0 0 206.285 2.942 50 0 BFAARN O=Cc1cc(Br)c(Cl)cc1[O-] ZINC000004290810 385566436 /nfs/dbraw/zinc/56/64/36/385566436.db2.gz JNRYILHFKYOXIK-UHFFFAOYSA-N 0 0 235.464 2.621 50 0 BFAARN C[N@@H+](Cc1cscn1)C[C@H]1CC=CCC1 ZINC000120205586 385570296 /nfs/dbraw/zinc/57/02/96/385570296.db2.gz YGKXMQLEVDVRQN-NSHDSACASA-N 0 0 222.357 2.931 50 0 BFAARN Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000003749658 385624173 /nfs/dbraw/zinc/62/41/73/385624173.db2.gz NMUYNXTWYHTYTB-CQSZACIVSA-N 0 0 247.338 2.600 50 0 BFAARN Cc1c(Br)cnc2cccnc12 ZINC000204042951 385630653 /nfs/dbraw/zinc/63/06/53/385630653.db2.gz CSEBAXXCYHTKQE-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN COc1ncccc1-c1ccc(F)cc1O ZINC000067473297 385632839 /nfs/dbraw/zinc/63/28/39/385632839.db2.gz NFHCLCZFQKFKMP-UHFFFAOYSA-N 0 0 219.215 2.602 50 0 BFAARN CC(=O)c1snc(-c2ccc(F)cc2)c1N ZINC000000988196 385711172 /nfs/dbraw/zinc/71/11/72/385711172.db2.gz QVPPWEJNGJDQME-UHFFFAOYSA-N 0 0 236.271 2.734 50 0 BFAARN Nc1ccc(C(F)(F)F)cc1OC(F)F ZINC000258828006 385777923 /nfs/dbraw/zinc/77/79/23/385777923.db2.gz DSHJMQFAKPWJAI-UHFFFAOYSA-N 0 0 227.132 2.889 50 0 BFAARN COC(=O)c1cc(F)c(Cl)c(Cl)c1 ZINC000261226747 385807873 /nfs/dbraw/zinc/80/78/73/385807873.db2.gz XLMIEDDMDAKHMB-UHFFFAOYSA-N 0 0 223.030 2.919 50 0 BFAARN CCOc1cc(O)cc(C(F)(F)F)c1 ZINC000261493811 385815126 /nfs/dbraw/zinc/81/51/26/385815126.db2.gz JXUHJLXZHLDEFX-UHFFFAOYSA-N 0 0 206.163 2.810 50 0 BFAARN COc1c(Cl)cc(O)cc1OC(C)C ZINC000261493448 385815200 /nfs/dbraw/zinc/81/52/00/385815200.db2.gz BHEHVEFMMOGKGD-UHFFFAOYSA-N 0 0 216.664 2.841 50 0 BFAARN C[C@H](NC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000095469918 385862504 /nfs/dbraw/zinc/86/25/04/385862504.db2.gz AJNIJKSTNIFMFN-QMMMGPOBSA-N 0 0 226.707 2.672 50 0 BFAARN CSCC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000032676266 385983759 /nfs/dbraw/zinc/98/37/59/385983759.db2.gz OGRZOPAZEWXMKM-CYBMUJFWSA-N 0 0 249.379 2.885 50 0 BFAARN CSc1n[nH]c(C=Cc2ccccc2)n1 ZINC000224831878 386153160 /nfs/dbraw/zinc/15/31/60/386153160.db2.gz AVCQUQDTZAELIZ-FPLPWBNLSA-N 0 0 217.297 2.697 50 0 BFAARN COC(=O)Cc1cc(Cl)c(Cl)cc1F ZINC000263624119 386157659 /nfs/dbraw/zinc/15/76/59/386157659.db2.gz NOOLKNBJIAUNGL-UHFFFAOYSA-N 0 0 237.057 2.848 50 0 BFAARN Cc1ccc(OC(F)F)nc1Br ZINC000263623105 386157969 /nfs/dbraw/zinc/15/79/69/386157969.db2.gz DRVWJXHZDWNHPL-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN Fc1ccc(Br)nc1OC(F)F ZINC000263624991 386159130 /nfs/dbraw/zinc/15/91/30/386159130.db2.gz VVDFZYWQLBIUEW-UHFFFAOYSA-N 0 0 241.994 2.585 50 0 BFAARN Cc1cncc(Br)c1OC(F)F ZINC000263625160 386159697 /nfs/dbraw/zinc/15/96/97/386159697.db2.gz XHDNWFAWCKFHOT-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN C[C@]1(C(=O)NC2CCCC2)CC1(Cl)Cl ZINC000040160893 386182721 /nfs/dbraw/zinc/18/27/21/386182721.db2.gz BYZDQGFSCCPEPU-SECBINFHSA-N 0 0 236.142 2.629 50 0 BFAARN CCOCCn1c2ccc(C)cc2sc1=N ZINC000225394004 386191371 /nfs/dbraw/zinc/19/13/71/386191371.db2.gz BMVPOZCOURTWAA-UHFFFAOYSA-N 0 0 236.340 2.527 50 0 BFAARN c1cc2c(-n3ccnc3)nc3ccccc3n2c1 ZINC000001389492 386137485 /nfs/dbraw/zinc/13/74/85/386137485.db2.gz CAVSQVLDSLQVGK-UHFFFAOYSA-N 0 0 234.262 2.673 50 0 BFAARN FC(F)(F)c1ccc(N2CCCCO2)nc1 ZINC000225592193 386205337 /nfs/dbraw/zinc/20/53/37/386205337.db2.gz LHODUMVPCSTCFU-UHFFFAOYSA-N 0 0 232.205 2.632 50 0 BFAARN CC/C=C(\C)C(=O)N1CCc2ccccc2C1 ZINC000046041401 386241472 /nfs/dbraw/zinc/24/14/72/386241472.db2.gz KVLLNRVPSKCVBP-WUXMJOGZSA-N 0 0 229.323 2.928 50 0 BFAARN FC(F)(F)Oc1cccc(-c2c[nH]cn2)c1 ZINC000032517974 386287565 /nfs/dbraw/zinc/28/75/65/386287565.db2.gz AGYJRJSUZJZFBS-UHFFFAOYSA-N 0 0 228.173 2.975 50 0 BFAARN Cc1n[nH]cc1CNc1nc2ccccc2s1 ZINC000038011963 386302096 /nfs/dbraw/zinc/30/20/96/386302096.db2.gz NUIIBEAUGXRKLG-UHFFFAOYSA-N 0 0 244.323 2.940 50 0 BFAARN CN(Cc1cccc(Cl)c1)C(=O)C1CC1 ZINC000032967263 386340689 /nfs/dbraw/zinc/34/06/89/386340689.db2.gz OLVMOVFQJMKMNW-UHFFFAOYSA-N 0 0 223.703 2.708 50 0 BFAARN COCc1cc(F)cc(Br)c1 ZINC000086694866 386372697 /nfs/dbraw/zinc/37/26/97/386372697.db2.gz UFSWEZXGAMCWOP-UHFFFAOYSA-N 0 0 219.053 2.735 50 0 BFAARN C[C@@H]1OCC[C@H]1SCc1nccs1 ZINC000095974126 386563007 /nfs/dbraw/zinc/56/30/07/386563007.db2.gz XCYHAGCAVUPFRW-JGVFFNPUSA-N 0 0 215.343 2.554 50 0 BFAARN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccn1 ZINC000246384184 386652287 /nfs/dbraw/zinc/65/22/87/386652287.db2.gz NMLZXZFDWNQEIZ-YRGRVCCFSA-N 0 0 244.338 2.875 50 0 BFAARN COC(=O)c1cc(Br)c(F)cc1C ZINC000098214269 386683131 /nfs/dbraw/zinc/68/31/31/386683131.db2.gz MNYTWTCGSPYQHC-UHFFFAOYSA-N 0 0 247.063 2.683 50 0 BFAARN CCCc1noc([C@@H](C)N2CCC[C@@H](C)C2)n1 ZINC000229120031 386685368 /nfs/dbraw/zinc/68/53/68/386685368.db2.gz FQARJKDRGABXFF-GHMZBOCLSA-N 0 0 237.347 2.815 50 0 BFAARN Clc1ccc(NC[C@@H]2CCSC2)nc1 ZINC000226403353 386768477 /nfs/dbraw/zinc/76/84/77/386768477.db2.gz AFXIGSPAZQCALG-QMMMGPOBSA-N 0 0 228.748 2.900 50 0 BFAARN CCc1ccccc1NC(=O)[C@@H](C)n1cccn1 ZINC000012849852 386975056 /nfs/dbraw/zinc/97/50/56/386975056.db2.gz LAYCZZLNIAOMQG-LLVKDONJSA-N 0 0 243.310 2.645 50 0 BFAARN CC(C)(C)n1ccc(NC(=O)[C@H]2CC=CCC2)n1 ZINC000075134284 386985198 /nfs/dbraw/zinc/98/51/98/386985198.db2.gz LSMTYSLUHZXOPB-NSHDSACASA-N 0 0 247.342 2.933 50 0 BFAARN O=C1Nc2ccccc2[C@@H]2CCCC[C@@H]12 ZINC000001579166 386990950 /nfs/dbraw/zinc/99/09/50/386990950.db2.gz IZYIINICADMQJQ-GXSJLCMTSA-N 0 0 201.269 2.913 50 0 BFAARN CCc1nc(NC(=O)N2CCCC2)sc1C ZINC000095962307 387011702 /nfs/dbraw/zinc/01/17/02/387011702.db2.gz FILCFAONOIIZAP-UHFFFAOYSA-N 0 0 239.344 2.642 50 0 BFAARN COCCc1nc(-c2cc3ccccc3o2)no1 ZINC000088339225 387018843 /nfs/dbraw/zinc/01/88/43/387018843.db2.gz IZNYGFCBBVZQSO-UHFFFAOYSA-N 0 0 244.250 2.672 50 0 BFAARN CC(C)c1nc(C(=O)N2CCCC2)cs1 ZINC000074714606 387021080 /nfs/dbraw/zinc/02/10/80/387021080.db2.gz OCJKWGGLUDHNBP-UHFFFAOYSA-N 0 0 224.329 2.503 50 0 BFAARN CCc1cccc(NC(=S)N(C)C)c1 ZINC000035082259 387021450 /nfs/dbraw/zinc/02/14/50/387021450.db2.gz ZPKAAXQNUBBHNO-UHFFFAOYSA-N 0 0 208.330 2.507 50 0 BFAARN O=C(c1ccccc1)[C@@H]1OC(=O)c2ccccc21 ZINC000096334549 387028204 /nfs/dbraw/zinc/02/82/04/387028204.db2.gz VFYWJHQGTBBWGY-CQSZACIVSA-N 0 0 238.242 2.781 50 0 BFAARN Cc1ccccc1[C@H](C)NC(=O)[C@H]1C[C@H]1C ZINC000032978730 387143391 /nfs/dbraw/zinc/14/33/91/387143391.db2.gz ZVUZXWSXXTVAGZ-MDZLAQPJSA-N 0 0 217.312 2.828 50 0 BFAARN CC(=O)c1cccc(NC(=S)NC(C)C)c1 ZINC000006538628 387170203 /nfs/dbraw/zinc/17/02/03/387170203.db2.gz LIWLRWYPVNSVOZ-UHFFFAOYSA-N 0 0 236.340 2.584 50 0 BFAARN Cc1ccccc1CN(C)C(=O)[C@@H]1C[C@H]1C ZINC000033000271 387171489 /nfs/dbraw/zinc/17/14/89/387171489.db2.gz OZIRTQZYWORYAY-DGCLKSJQSA-N 0 0 217.312 2.609 50 0 BFAARN CCc1cc(O)ccc1NC(=O)[C@@H]1C[C@@H]1C ZINC000191014912 387199787 /nfs/dbraw/zinc/19/97/87/387199787.db2.gz GPUSEFGLBZWAAO-GZMMTYOYSA-N 0 0 219.284 2.549 50 0 BFAARN O=C1OCCC23CC=CCC12CC=CC3 ZINC000045028072 387273628 /nfs/dbraw/zinc/27/36/28/387273628.db2.gz OLQDPLUAKGJYGN-UHFFFAOYSA-N 0 0 204.269 2.606 50 0 BFAARN CC(C)(C)C(=O)O[C@@H]1C(=O)CC[C@@H]2[C@H]1C2(C)C ZINC000043763569 387274121 /nfs/dbraw/zinc/27/41/21/387274121.db2.gz LMTBILDNMJSHOU-FBIMIBRVSA-N 0 0 238.327 2.579 50 0 BFAARN O=C1CCCCCC[C@@]1(O)Cc1ccccc1 ZINC000043199242 387274749 /nfs/dbraw/zinc/27/47/49/387274749.db2.gz DFZOUNNRQCPTAP-OAHLLOKOSA-N 0 0 232.323 2.884 50 0 BFAARN CCOC(=O)/C=C/c1c(F)cccc1F ZINC000121068866 387289867 /nfs/dbraw/zinc/28/98/67/387289867.db2.gz COBPFZSQRMQTRT-VOTSOKGWSA-N 0 0 212.195 2.541 50 0 BFAARN COC(=O)C[C@H](c1ccnc(Cl)c1)C1CC1 ZINC000253496152 387291144 /nfs/dbraw/zinc/29/11/44/387291144.db2.gz MCHAHPNGMPXGCC-JTQLQIEISA-N 0 0 239.702 2.792 50 0 BFAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)OCCF ZINC000583651452 387354867 /nfs/dbraw/zinc/35/48/67/387354867.db2.gz MDFLHDNPMVZADE-SECBINFHSA-N 0 0 243.253 2.925 50 0 BFAARN CCCCC[S@](=O)c1ccc(OC)cc1 ZINC000191177929 387353236 /nfs/dbraw/zinc/35/32/36/387353236.db2.gz CODJJWTUGPDBDZ-HNNXBMFYSA-N 0 0 226.341 2.993 50 0 BFAARN CN(CC1CCCCC1)C(=O)c1ccoc1 ZINC000032753017 387453946 /nfs/dbraw/zinc/45/39/46/387453946.db2.gz POMOPQWPHWVJOQ-UHFFFAOYSA-N 0 0 221.300 2.932 50 0 BFAARN O=C(NCc1ccc(-c2ccco2)o1)C1CC1 ZINC000575604623 387387373 /nfs/dbraw/zinc/38/73/73/387387373.db2.gz AVMJDASXBVCNHT-UHFFFAOYSA-N 0 0 231.251 2.566 50 0 BFAARN CCC(=O)NCc1ccc(-c2ccco2)o1 ZINC000575604915 387387924 /nfs/dbraw/zinc/38/79/24/387387924.db2.gz HUOXVGLQXLSYAV-UHFFFAOYSA-N 0 0 219.240 2.566 50 0 BFAARN O=C(/C=C/c1ccco1)NCCc1ccsc1 ZINC000043771299 387417933 /nfs/dbraw/zinc/41/79/33/387417933.db2.gz AUPWFRZFMDNWMD-ONEGZZNKSA-N 0 0 247.319 2.713 50 0 BFAARN CCC[C@H](C)N(C)C(=O)c1cc(Cl)ccn1 ZINC000035238949 387516469 /nfs/dbraw/zinc/51/64/69/387516469.db2.gz QXVXJNAZXSDDEM-VIFPVBQESA-N 0 0 240.734 2.996 50 0 BFAARN O=C(Nc1cnc2c(c1)CCC2)c1ccccc1 ZINC000575316282 387537056 /nfs/dbraw/zinc/53/70/56/387537056.db2.gz BZWPUZCTTMVRSC-UHFFFAOYSA-N 0 0 238.290 2.823 50 0 BFAARN Cc1nc(C)c(C(=O)Oc2ccc(F)cc2C)o1 ZINC000119493178 387475066 /nfs/dbraw/zinc/47/50/66/387475066.db2.gz NDBMMWBYTAUGAH-UHFFFAOYSA-N 0 0 249.241 2.958 50 0 BFAARN O=C([C@H]1CC=CCC1)N1Cc2ccccc2C1 ZINC000105979999 387477522 /nfs/dbraw/zinc/47/75/22/387477522.db2.gz BNSDUOSMWFGGDR-LBPRGKRZSA-N 0 0 227.307 2.885 50 0 BFAARN CCC1(NC(=O)c2ccn(C(C)C)n2)CCCC1 ZINC000296105391 387486678 /nfs/dbraw/zinc/48/66/78/387486678.db2.gz KUISBYPFNCTAJT-UHFFFAOYSA-N 0 0 249.358 2.917 50 0 BFAARN CC[C@H]1CCCN(Cc2nnsc2Cl)C1 ZINC000035249199 387560884 /nfs/dbraw/zinc/56/08/84/387560884.db2.gz KIRLXXCSINKOEC-QMMMGPOBSA-N 0 0 245.779 2.814 50 0 BFAARN COc1ccc(-c2ccccc2SC)nn1 ZINC000426441740 387568976 /nfs/dbraw/zinc/56/89/76/387568976.db2.gz HLBPWTTUXHVNAJ-UHFFFAOYSA-N 0 0 232.308 2.874 50 0 BFAARN CCO[C@@H](C)c1ccc(-c2nc(OC)n[nH]2)cc1 ZINC000426470860 387572195 /nfs/dbraw/zinc/57/21/95/387572195.db2.gz OIFPKFQCNOTDRJ-VIFPVBQESA-N 0 0 247.298 2.578 50 0 BFAARN Cc1cc(C2CCC2)nc(-c2cncnc2)n1 ZINC000426491617 387573430 /nfs/dbraw/zinc/57/34/30/387573430.db2.gz ZEKUXPFQNWLFLQ-UHFFFAOYSA-N 0 0 226.283 2.510 50 0 BFAARN Cc1csc(COC(=O)[C@H]2CC=CCC2)n1 ZINC000078949356 387746552 /nfs/dbraw/zinc/74/65/52/387746552.db2.gz HGTCZOLCEHMNHD-JTQLQIEISA-N 0 0 237.324 2.851 50 0 BFAARN CC/C=C(\C)C(=O)NCCc1ccc(OC)cc1 ZINC000046041220 387734112 /nfs/dbraw/zinc/73/41/12/387734112.db2.gz NWFKRDHKNRDTIA-LFYBBSHMSA-N 0 0 247.338 2.710 50 0 BFAARN Cc1cc(C)cc(C(=O)N2CCCC2)c1 ZINC000000496643 177892183 /nfs/dbraw/zinc/89/21/83/177892183.db2.gz HYNTXNCMWKTGBM-UHFFFAOYSA-N 0 0 203.285 2.539 50 0 BFAARN Cc1cc(C)c(S(=O)(=O)n2cccc2)c(C)c1 ZINC000013323041 177870580 /nfs/dbraw/zinc/87/05/80/177870580.db2.gz JXEJEXWSLUGCMD-UHFFFAOYSA-N 0 0 249.335 2.650 50 0 BFAARN CC(C)(C)OC(=O)N1CCC2(CCCO2)CC1 ZINC000072194623 387855562 /nfs/dbraw/zinc/85/55/62/387855562.db2.gz JLIBXBGSIZHAPD-UHFFFAOYSA-N 0 0 241.331 2.567 50 0 BFAARN Cc1cc(C(=O)N[C@H](C)c2ccccn2)c(C)o1 ZINC000028781919 177812113 /nfs/dbraw/zinc/81/21/13/177812113.db2.gz VGHSNHARPQKHOR-SNVBAGLBSA-N 0 0 244.294 2.782 50 0 BFAARN Cc1cc(C(=O)N[C@H](C)c2ccncc2)cs1 ZINC000001052288 177811636 /nfs/dbraw/zinc/81/16/36/177811636.db2.gz AEQQUNVDOPJXJY-SNVBAGLBSA-N 0 0 246.335 2.943 50 0 BFAARN CC(C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000065517346 388075558 /nfs/dbraw/zinc/07/55/58/388075558.db2.gz LAZLACONHHVWMF-SECBINFHSA-N 0 0 237.265 2.833 50 0 BFAARN Cc1cnc(SCC(=O)c2ccccc2)nc1 ZINC000042298067 388087586 /nfs/dbraw/zinc/08/75/86/388087586.db2.gz XISLSSBITLGAIB-UHFFFAOYSA-N 0 0 244.319 2.760 50 0 BFAARN Cc1cc(C(N)=O)sc1-c1ccccc1 ZINC000013327861 388129034 /nfs/dbraw/zinc/12/90/34/388129034.db2.gz HHSZXZCEVKRPPZ-UHFFFAOYSA-N 0 0 217.293 2.822 50 0 BFAARN Cc1nc(C(=O)Nc2ccc(F)cc2C)c(C)o1 ZINC000065293373 388256100 /nfs/dbraw/zinc/25/61/00/388256100.db2.gz QFCRASDTBOOHGE-UHFFFAOYSA-N 0 0 248.257 2.991 50 0 BFAARN C[C@@H](CCO)CNc1ccnc2c(F)cccc12 ZINC000170089568 388258251 /nfs/dbraw/zinc/25/82/51/388258251.db2.gz QOWKVQMMJDYIQP-JTQLQIEISA-N 0 0 248.301 2.804 50 0 BFAARN Cn1ccccc1=Nc1cnc2ccccc2c1 ZINC000254680287 388350500 /nfs/dbraw/zinc/35/05/00/388350500.db2.gz YPPCIUPBZGGMHV-UHFFFAOYSA-N 0 0 235.290 2.806 50 0 BFAARN N#Cc1cccc(NN=C2CCn3cccc32)c1 ZINC000254702150 388351023 /nfs/dbraw/zinc/35/10/23/388351023.db2.gz DDLLKPLNQKAJNM-UHFFFAOYSA-N 0 0 236.278 2.580 50 0 BFAARN O=C1Nc2ccccc2/C1=C/c1ccc(O)cc1 ZINC000002939076 388353007 /nfs/dbraw/zinc/35/30/07/388353007.db2.gz PLAOAGFXNCEZMZ-LCYFTJDESA-N 0 0 237.258 2.885 50 0 biogenic BFAARN Oc1ccccc1C=NNc1ccc(F)cc1 ZINC000254736035 388355346 /nfs/dbraw/zinc/35/53/46/388355346.db2.gz AFQACLAZLAEXFK-UHFFFAOYSA-N 0 0 230.242 2.977 50 0 BFAARN CC[C@@H](NC(=O)C[C@H]1C=CCC1)C(C)C ZINC000057410526 388359861 /nfs/dbraw/zinc/35/98/61/388359861.db2.gz DVAFCOULTQUJSB-NWDGAFQWSA-N 0 0 209.333 2.894 50 0 BFAARN CC[C@H](NC(=O)C[C@H]1C=CCC1)C(C)C ZINC000057410525 388360595 /nfs/dbraw/zinc/36/05/95/388360595.db2.gz DVAFCOULTQUJSB-RYUDHWBXSA-N 0 0 209.333 2.894 50 0 BFAARN CCCC(C)(C)NC(=O)c1ccc2nccn2c1 ZINC000057837481 388368410 /nfs/dbraw/zinc/36/84/10/388368410.db2.gz LAJZQSPTVZFAND-UHFFFAOYSA-N 0 0 245.326 2.643 50 0 BFAARN O=C([O-])C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000089830494 388368584 /nfs/dbraw/zinc/36/85/84/388368584.db2.gz PZVMFIJXIYYQAZ-CQSZACIVSA-N 0 0 247.338 2.558 50 0 BFAARN COC(=O)c1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000003342621 388373552 /nfs/dbraw/zinc/37/35/52/388373552.db2.gz GQRDPQRMSSRZJX-UHFFFAOYSA-N 0 0 249.310 2.766 50 0 BFAARN CCCC(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000089949362 388375491 /nfs/dbraw/zinc/37/54/91/388375491.db2.gz OVNFRTNHSNUWSR-AWEZNQCLSA-N 0 0 246.354 2.890 50 0 BFAARN CN(Cc1cccs1)C(=O)NC1CCCC1 ZINC000031035960 388380758 /nfs/dbraw/zinc/38/07/58/388380758.db2.gz NWQDZMAGSKYTAL-UHFFFAOYSA-N 0 0 238.356 2.832 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@H]2C2CCCC2)no1 ZINC000056033346 177756975 /nfs/dbraw/zinc/75/69/75/177756975.db2.gz PBQUKDPXELXDJU-ZDUSSCGKSA-N 0 0 248.326 2.778 50 0 BFAARN C[C@@H](NC(=O)c1c(O)cccc1F)c1ccco1 ZINC000163638247 388382616 /nfs/dbraw/zinc/38/26/16/388382616.db2.gz RMRAUVYKVJFXTK-MRVPVSSYSA-N 0 0 249.241 2.615 50 0 BFAARN CC(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000008566008 388406146 /nfs/dbraw/zinc/40/61/46/388406146.db2.gz GDUWMPAQQXMMFC-UHFFFAOYSA-N 0 0 241.250 2.781 50 0 BFAARN Cc1nnc([C@H](C)Oc2ccc(C)c(F)c2)o1 ZINC000193587565 388390803 /nfs/dbraw/zinc/39/08/03/388390803.db2.gz ZWUSEXSFMJXRLP-QMMMGPOBSA-N 0 0 236.246 2.966 50 0 BFAARN Cc1ccc(Cn2cccc(C)c2=O)cc1 ZINC000071516839 388444751 /nfs/dbraw/zinc/44/47/51/388444751.db2.gz BMTIACDYZVXNNV-UHFFFAOYSA-N 0 0 213.280 2.513 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@@H](C)C2)c(C)o1 ZINC000028225689 177752689 /nfs/dbraw/zinc/75/26/89/177752689.db2.gz HFVYRKBWJGEEKK-SECBINFHSA-N 0 0 221.300 2.769 50 0 BFAARN O=C(CC1CCCC1)NCCc1ccccc1O ZINC000193649070 388410000 /nfs/dbraw/zinc/41/00/00/388410000.db2.gz FRAUYCITCSLJSK-UHFFFAOYSA-N 0 0 247.338 2.631 50 0 BFAARN CN(Cc1ncc(C(C)(C)C)o1)CC1CC1 ZINC000069455579 388416961 /nfs/dbraw/zinc/41/69/61/388416961.db2.gz WZYADNHVUCUZDE-UHFFFAOYSA-N 0 0 222.332 2.814 50 0 BFAARN Cc1nc(COc2cccc(Cl)c2)no1 ZINC000069566231 388420571 /nfs/dbraw/zinc/42/05/71/388420571.db2.gz PXPQFTSASBEDFR-UHFFFAOYSA-N 0 0 224.647 2.610 50 0 BFAARN O=C(OCC(F)F)c1ccc2ccccc2n1 ZINC000069701846 388424453 /nfs/dbraw/zinc/42/44/53/388424453.db2.gz RCWWOUCWRPCURE-UHFFFAOYSA-N 0 0 237.205 2.657 50 0 BFAARN C[C@@H]1C[C@@H]1NC(=O)c1ncoc1-c1cccs1 ZINC000069702376 388425025 /nfs/dbraw/zinc/42/50/25/388425025.db2.gz PVYXXYHNJTZART-SFYZADRCSA-N 0 0 248.307 2.541 50 0 BFAARN COC(=O)c1csc(CCc2ccccc2)n1 ZINC000069739585 388426162 /nfs/dbraw/zinc/42/61/62/388426162.db2.gz FCMUKDLLWXCXOU-UHFFFAOYSA-N 0 0 247.319 2.715 50 0 BFAARN COC(=O)c1ccc(-c2ccccn2)cc1 ZINC000006544729 388522607 /nfs/dbraw/zinc/52/26/07/388522607.db2.gz WNUOEXYOJHXGAX-UHFFFAOYSA-N 0 0 213.236 2.535 50 0 BFAARN O=C1C[C@@H](c2ccccc2)c2ccc(O)cc2N1 ZINC000066089334 388588303 /nfs/dbraw/zinc/58/83/03/388588303.db2.gz QBMKHRHNYHHUAR-ZDUSSCGKSA-N 0 0 239.274 2.866 50 0 BFAARN Cc1noc2ncnc(N[C@H]3CCCC[C@H]3C)c12 ZINC000021531586 388592853 /nfs/dbraw/zinc/59/28/53/388592853.db2.gz RIHMUTYAOUZJTM-SCZZXKLOSA-N 0 0 246.314 2.917 50 0 BFAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@@H]1C=CC(=O)O1 ZINC000253531976 388611033 /nfs/dbraw/zinc/61/10/33/388611033.db2.gz URWJVUPZIGIVFZ-NMKXLXIOSA-N 0 0 238.327 2.903 50 0 BFAARN CC(C)C(=O)c1ccc([O-])c(C(F)(F)F)c1O ZINC000076914461 388671494 /nfs/dbraw/zinc/67/14/94/388671494.db2.gz NYFNJYJWOHQAMU-UHFFFAOYSA-N 0 0 248.200 2.955 50 0 BFAARN Cc1c(Cl)cncc1Br ZINC000085210612 388683586 /nfs/dbraw/zinc/68/35/86/388683586.db2.gz LDFVQFBZBAVFSN-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN O=C1N[C@@H](c2ccccc2)c2ccccc2O1 ZINC000091301809 388684168 /nfs/dbraw/zinc/68/41/68/388684168.db2.gz MFDUOPFNWJRTBJ-ZDUSSCGKSA-N 0 0 225.247 2.878 50 0 BFAARN O=C1N[C@H](c2ccccc2)c2ccccc2O1 ZINC000091301808 388684468 /nfs/dbraw/zinc/68/44/68/388684468.db2.gz MFDUOPFNWJRTBJ-CYBMUJFWSA-N 0 0 225.247 2.878 50 0 BFAARN Cc1c2c(ccc1Br)C(=O)CC2 ZINC000168705330 388684778 /nfs/dbraw/zinc/68/47/78/388684778.db2.gz RBVCMJNAVNKSIV-UHFFFAOYSA-N 0 0 225.085 2.886 50 0 BFAARN Cc1ccc(C(=O)N[C@@H]2CCCc3occc32)o1 ZINC000084195078 388653386 /nfs/dbraw/zinc/65/33/86/388653386.db2.gz AYRFWVCSEKGKIM-LLVKDONJSA-N 0 0 245.278 2.988 50 0 BFAARN FC1(F)CCCN(Cc2ccccc2)C1 ZINC000063360942 388660851 /nfs/dbraw/zinc/66/08/51/388660851.db2.gz HIOVCYJEALPSEO-UHFFFAOYSA-N 0 0 211.255 2.918 50 0 BFAARN Cc1[nH]ccc1C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000089536734 388737678 /nfs/dbraw/zinc/73/76/78/388737678.db2.gz PSQYANVRKGFDHX-VXGBXAGGSA-N 0 0 232.327 2.585 50 0 BFAARN O=C(C1CCCC1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000089817991 388740619 /nfs/dbraw/zinc/74/06/19/388740619.db2.gz ADDRGZGFIJDINB-CHWSQXEVSA-N 0 0 221.344 2.825 50 0 BFAARN Cc1cnc(NC(=O)c2ccc(C)cc2O)s1 ZINC000019839537 388750091 /nfs/dbraw/zinc/75/00/91/388750091.db2.gz TYCUAIUEYOHFMI-UHFFFAOYSA-N 0 0 248.307 2.718 50 0 BFAARN CN(C)c1ncccc1N(C)C(=O)CC(C)(C)C ZINC000079725724 388753289 /nfs/dbraw/zinc/75/32/89/388753289.db2.gz FKWMAKIYCJDFOH-UHFFFAOYSA-N 0 0 249.358 2.547 50 0 BFAARN COC(=O)[C@@H](C)Sc1ccc2c(c1)CCC2 ZINC000055278982 388698147 /nfs/dbraw/zinc/69/81/47/388698147.db2.gz LPKSKBDNUHVWDA-SECBINFHSA-N 0 0 236.336 2.829 50 0 BFAARN O=C([O-])CCC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000116343793 388709357 /nfs/dbraw/zinc/70/93/57/388709357.db2.gz IEZAGVMTLXHJPZ-AWEZNQCLSA-N 0 0 247.338 2.558 50 0 BFAARN C[C@@H]1O[C@H](C)[C@@H](C)[C@@H](c2ccccc2O)O1 ZINC000012653626 388723056 /nfs/dbraw/zinc/72/30/56/388723056.db2.gz OSYQUVFLQIPNCW-PRFIWBCESA-N 0 0 222.284 2.851 50 0 biogenic BFAARN Cc1occc1C(=O)N1CCn2cccc2[C@H]1C ZINC000012911869 388726275 /nfs/dbraw/zinc/72/62/75/388726275.db2.gz GMQHKVONWKOMRT-SNVBAGLBSA-N 0 0 244.294 2.607 50 0 BFAARN CCSc1cccc(N[C@H]2CCOC2)c1 ZINC000095971955 388798540 /nfs/dbraw/zinc/79/85/40/388798540.db2.gz SWGOIJQOXHAYIY-NSHDSACASA-N 0 0 223.341 2.999 50 0 BFAARN COCCn1c(C)nc2cc(C)c(C)cc21 ZINC000021175893 388799909 /nfs/dbraw/zinc/79/99/09/388799909.db2.gz ZXTFLEJYWMSGFS-UHFFFAOYSA-N 0 0 218.300 2.608 50 0 BFAARN CC(C)=C[C@H]1[C@H](C(=O)NCc2ccno2)C1(C)C ZINC000095992920 388801472 /nfs/dbraw/zinc/80/14/72/388801472.db2.gz WFKGXPUXZKGCBX-NWDGAFQWSA-N 0 0 248.326 2.529 50 0 BFAARN COC[C@H](C)Nc1ccnc2ccsc21 ZINC000095407703 388767091 /nfs/dbraw/zinc/76/70/91/388767091.db2.gz SOKDHFIZQJACAD-QMMMGPOBSA-N 0 0 222.313 2.743 50 0 BFAARN CC(C)c1nnc(CSC2CCOCC2)o1 ZINC000095439490 388771862 /nfs/dbraw/zinc/77/18/62/388771862.db2.gz BJVLTMNDLLWEDE-UHFFFAOYSA-N 0 0 242.344 2.605 50 0 BFAARN CCCc1c(C(=O)OC)cnn1-c1ccccc1 ZINC000095635500 388781389 /nfs/dbraw/zinc/78/13/89/388781389.db2.gz YAJSWPOOGWZCMC-UHFFFAOYSA-N 0 0 244.294 2.611 50 0 BFAARN C/C(=C\C(=O)N[C@@H](C)c1ccccn1)C1CC1 ZINC000096309018 388815007 /nfs/dbraw/zinc/81/50/07/388815007.db2.gz CFGXIDYFKGTKHP-USKTWTLRSA-N 0 0 230.311 2.615 50 0 BFAARN CCCCNC(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000096401410 388817108 /nfs/dbraw/zinc/81/71/08/388817108.db2.gz ZGPJUARZMDWFCH-ALCCZGGFSA-N 0 0 245.322 2.551 50 0 BFAARN c1c(CSC2CCOCC2)nc2ccccn12 ZINC000096484852 388820025 /nfs/dbraw/zinc/82/00/25/388820025.db2.gz PICFBCARWRWVLO-UHFFFAOYSA-N 0 0 248.351 2.747 50 0 BFAARN CCc1c(Cl)nc(C)nc1N[C@@H]1C[C@H]1C ZINC000170642841 388831984 /nfs/dbraw/zinc/83/19/84/388831984.db2.gz SSLZZUQOOKDKJO-HZGVNTEJSA-N 0 0 225.723 2.821 50 0 BFAARN CCN(CC(F)(F)F)C(=O)C[C@@H]1C=CCC1 ZINC000097263599 388835873 /nfs/dbraw/zinc/83/58/73/388835873.db2.gz QNEACNONZSNSBX-SECBINFHSA-N 0 0 235.249 2.754 50 0 BFAARN CCN(C(=O)c1csnc1C)c1ccncc1 ZINC000097237464 388836033 /nfs/dbraw/zinc/83/60/33/388836033.db2.gz WFKDADMLOMUVTQ-UHFFFAOYSA-N 0 0 247.323 2.513 50 0 BFAARN Cc1ccc(Oc2c[n+]([O-])ccc2C)cc1 ZINC000027986067 388837258 /nfs/dbraw/zinc/83/72/58/388837258.db2.gz SHCMRWFDPLAMRI-UHFFFAOYSA-N 0 0 215.252 2.729 50 0 BFAARN CC(C)(C)CSCCC1OCCO1 ZINC000225640337 388839328 /nfs/dbraw/zinc/83/93/28/388839328.db2.gz MAAHWHVTFGTMAY-UHFFFAOYSA-N 0 0 204.335 2.529 50 0 BFAARN Cc1occc1S[C@H](C)C(=O)N(C)C(C)C ZINC000131305671 388847367 /nfs/dbraw/zinc/84/73/67/388847367.db2.gz NUEYXPQAEGSWHU-SNVBAGLBSA-N 0 0 241.356 2.935 50 0 BFAARN Cc1cc(-c2ccccc2Cl)nc(N)n1 ZINC000052837942 177687342 /nfs/dbraw/zinc/68/73/42/177687342.db2.gz KLSJYOYBWDVDIE-UHFFFAOYSA-N 0 0 219.675 2.688 50 0 BFAARN CC(C)CN1CCCc2ccc(N)cc21 ZINC000019779402 132327276 /nfs/dbraw/zinc/32/72/76/132327276.db2.gz OMXZWYPBYGTGRO-UHFFFAOYSA-N 0 0 204.317 2.677 50 0 BFAARN CC(C)CC(=O)N[C@H](C)c1ccccc1 ZINC000003180090 166769909 /nfs/dbraw/zinc/76/99/09/166769909.db2.gz WNIGNAWVTKGRLJ-LLVKDONJSA-N 0 0 205.301 2.910 50 0 BFAARN Cc1nc2ccccc2nc1N1CCCCC1 ZINC000000435018 132292583 /nfs/dbraw/zinc/29/25/83/132292583.db2.gz AWEDJQUDAHJRLT-UHFFFAOYSA-N 0 0 227.311 2.929 50 0 BFAARN c1ccc2c(c1)ncnc2N1CCCCC1 ZINC000000118546 132312503 /nfs/dbraw/zinc/31/25/03/132312503.db2.gz VIMMTIWARBDYNN-UHFFFAOYSA-N 0 0 213.284 2.620 50 0 BFAARN Cc1nnc(N2CCCCC2)c2ccccc12 ZINC000000274085 132313237 /nfs/dbraw/zinc/31/32/37/132313237.db2.gz HBEIWQYSNGCUDK-UHFFFAOYSA-N 0 0 227.311 2.929 50 0 BFAARN CC(C)C(=O)N1CCCc2ccccc21 ZINC000001456461 132314212 /nfs/dbraw/zinc/31/42/12/132314212.db2.gz GBJWLCKQOWMWRB-UHFFFAOYSA-N 0 0 203.285 2.622 50 0 BFAARN COC(=O)N1c2ccc(F)cc2CC[C@H]1C ZINC000002751505 132315049 /nfs/dbraw/zinc/31/50/49/132315049.db2.gz LOMMUUIDJKXJIN-MRVPVSSYSA-N 0 0 223.247 2.733 50 0 BFAARN Cc1ccc(N2CCC[C@@H](C)C2)c(N)c1 ZINC000008702594 132319129 /nfs/dbraw/zinc/31/91/29/132319129.db2.gz SCFSIFALKXHKGZ-LLVKDONJSA-N 0 0 204.317 2.814 50 0 BFAARN CN1c2ccccc2C(=O)N[C@@H]1c1cccs1 ZINC000008744617 132319155 /nfs/dbraw/zinc/31/91/55/132319155.db2.gz HQJIQGAFQGREIW-LBPRGKRZSA-N 0 0 244.319 2.627 50 0 BFAARN CC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000019870988 132328297 /nfs/dbraw/zinc/32/82/97/132328297.db2.gz BHKSEAKLXNVZNY-GHMZBOCLSA-N 0 0 233.311 2.503 50 0 BFAARN CCN1CNC(=S)N(c2cc(C)ccc2C)C1 ZINC000020170975 132330155 /nfs/dbraw/zinc/33/01/55/132330155.db2.gz YKKXDXRQZZCTGJ-UHFFFAOYSA-N 0 0 249.383 2.646 50 0 BFAARN ON1c2ccccc2NN=C1c1ccccc1 ZINC000025757405 132333355 /nfs/dbraw/zinc/33/33/55/132333355.db2.gz RSEYSZORVUOWTP-UHFFFAOYSA-N 0 0 225.251 2.670 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N1CCSc2ccccc21 ZINC000032997909 132335732 /nfs/dbraw/zinc/33/57/32/132335732.db2.gz ADUTZESNAHBXLO-ZJUUUORDSA-N 0 0 233.336 2.781 50 0 BFAARN OCc1cc2ccccc2nc1N1CCCCC1 ZINC000034847944 132337124 /nfs/dbraw/zinc/33/71/24/132337124.db2.gz QBEHGTMNZVQYJH-UHFFFAOYSA-N 0 0 242.322 2.717 50 0 BFAARN Clc1ccc(N2CCc3ccccc3C2)nn1 ZINC000034938220 132337405 /nfs/dbraw/zinc/33/74/05/132337405.db2.gz VPPJLEVGWGHQLA-UHFFFAOYSA-N 0 0 245.713 2.693 50 0 BFAARN Cc1ccc(CN2CCNc3cccnc32)cc1 ZINC000045795977 132354842 /nfs/dbraw/zinc/35/48/42/132354842.db2.gz KUUMNUGMHUBKRG-UHFFFAOYSA-N 0 0 239.322 2.822 50 0 BFAARN CN1c2cc(Cl)ccc2NC(=O)C1(C)C ZINC000228431261 132454960 /nfs/dbraw/zinc/45/49/60/132454960.db2.gz GLQQJRYPPVQGKH-UHFFFAOYSA-N 0 0 224.691 2.507 50 0 BFAARN CC(C)C(=O)NCCSCc1cccs1 ZINC000040463097 133463388 /nfs/dbraw/zinc/46/33/88/133463388.db2.gz MPDNMJPGBJZWQM-UHFFFAOYSA-N 0 0 243.397 2.754 50 0 BFAARN O=C(Nc1cncc(F)c1)c1ccsc1 ZINC000336038325 134060616 /nfs/dbraw/zinc/06/06/16/134060616.db2.gz DKPWCQKCRDHRHC-UHFFFAOYSA-N 0 0 222.244 2.535 50 0 BFAARN CCCC[C@H]1C=CCN1C(=O)Cc1ccccn1 ZINC000067688376 134398227 /nfs/dbraw/zinc/39/82/27/134398227.db2.gz PCIXSXMPXJSXOG-AWEZNQCLSA-N 0 0 244.338 2.581 50 0 BFAARN O=C(CSc1ccccc1)NCc1ccco1 ZINC000000307390 134770837 /nfs/dbraw/zinc/77/08/37/134770837.db2.gz BPIASVWLNHWJTN-UHFFFAOYSA-N 0 0 247.319 2.688 50 0 BFAARN ClC1(c2csc(-c3cnccn3)n2)CC1 ZINC000408524824 134810065 /nfs/dbraw/zinc/81/00/65/134810065.db2.gz ZPSJSJMQMVOGKL-UHFFFAOYSA-N 0 0 237.715 2.828 50 0 BFAARN O=C1OC[C@@H](Sc2ccc3c(c2)CCC3)O1 ZINC000408516399 134810351 /nfs/dbraw/zinc/81/03/51/134810351.db2.gz YDUWUDCBJXDSPU-LLVKDONJSA-N 0 0 236.292 2.760 50 0 BFAARN COc1ccccc1-n1ncc(Cl)c1C ZINC000408525767 134810659 /nfs/dbraw/zinc/81/06/59/134810659.db2.gz OQYXGRLQHNONDQ-UHFFFAOYSA-N 0 0 222.675 2.843 50 0 BFAARN Cn1cc(CNc2ccc3scnc3c2)cn1 ZINC000237687248 134846416 /nfs/dbraw/zinc/84/64/16/134846416.db2.gz FXGSACAOKOMBMO-UHFFFAOYSA-N 0 0 244.323 2.642 50 0 BFAARN Nc1c(OC(F)F)cccc1C(F)(F)F ZINC000258834386 135103728 /nfs/dbraw/zinc/10/37/28/135103728.db2.gz PASLRKVWLZPANY-UHFFFAOYSA-N 0 0 227.132 2.889 50 0 BFAARN C[C@@H](Sc1ncc[nH]1)C(=O)Nc1ccccc1 ZINC000078991600 135264899 /nfs/dbraw/zinc/26/48/99/135264899.db2.gz BACZJWMNGMEUCQ-SECBINFHSA-N 0 0 247.323 2.529 50 0 BFAARN C[C@H](Sc1ncc[nH]1)C(=O)Nc1ccccc1 ZINC000078991589 135265603 /nfs/dbraw/zinc/26/56/03/135265603.db2.gz BACZJWMNGMEUCQ-VIFPVBQESA-N 0 0 247.323 2.529 50 0 BFAARN C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](CCC2CCCC2)C1 ZINC000263344239 135348268 /nfs/dbraw/zinc/34/82/68/135348268.db2.gz OEESEFVVLGMYCO-WCQYABFASA-N 0 0 239.359 2.609 50 0 BFAARN CCC(CC)C(=O)N[C@H](CCO)c1ccccc1 ZINC000279765161 135369119 /nfs/dbraw/zinc/36/91/19/135369119.db2.gz FNKQSOLGUCEXLV-CQSZACIVSA-N 0 0 249.354 2.663 50 0 BFAARN FC1(F)CCC[C@H]1Cn1cnc(C2CC2)n1 ZINC000334965141 135852644 /nfs/dbraw/zinc/85/26/44/135852644.db2.gz QRKHJZLBBZBBCP-VIFPVBQESA-N 0 0 227.258 2.591 50 0 BFAARN CC[C@@H](C)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000335336426 136055746 /nfs/dbraw/zinc/05/57/46/136055746.db2.gz JDQTUJAOSGIAIM-RKDXNWHRSA-N 0 0 219.275 2.727 50 0 BFAARN CC(C)CN(CC(C)C)C(=O)c1cccnc1 ZINC000003159739 166951016 /nfs/dbraw/zinc/95/10/16/166951016.db2.gz VKKRQPHJDXCBJA-UHFFFAOYSA-N 0 0 234.343 2.836 50 0 BFAARN Nc1c(F)ccc(Br)c1Cl ZINC000169797835 397816159 /nfs/dbraw/zinc/81/61/59/397816159.db2.gz ASLOEQLGHNXAHJ-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN CCc1[nH]nc(N[C@@H]2CCCSC2)c1C ZINC000097370862 397928918 /nfs/dbraw/zinc/92/89/18/397928918.db2.gz BTGTTZKFYRTNHQ-SECBINFHSA-N 0 0 225.361 2.588 50 0 BFAARN CCC[C@H](C)C(=O)NCc1ccccc1OC ZINC000000030559 397913875 /nfs/dbraw/zinc/91/38/75/397913875.db2.gz NFOYMJJWGSYYJL-NSHDSACASA-N 0 0 235.327 2.748 50 0 biogenic BFAARN Cc1cc(C)cc(OCCn2ccnc2)c1 ZINC000000433388 397914768 /nfs/dbraw/zinc/91/47/68/397914768.db2.gz IUODDWZEPQEQBN-UHFFFAOYSA-N 0 0 216.284 2.579 50 0 BFAARN c1ccc2[nH]c(NCc3ccncc3)nc2c1 ZINC000026439665 398013891 /nfs/dbraw/zinc/01/38/91/398013891.db2.gz HOOGGGWYXOWUDX-UHFFFAOYSA-N 0 0 224.267 2.570 50 0 BFAARN C[C@@H](CO)SCc1ccc2ccccc2n1 ZINC000079101702 398066399 /nfs/dbraw/zinc/06/63/99/398066399.db2.gz OLRMHADPFNNGCW-JTQLQIEISA-N 0 0 233.336 2.849 50 0 BFAARN CCc1nc(C)c(Br)s1 ZINC000065337224 398083430 /nfs/dbraw/zinc/08/34/30/398083430.db2.gz NSXCMCDBNNASAL-UHFFFAOYSA-N 0 0 206.108 2.776 50 0 BFAARN O=C(/C=C/c1ccco1)NCc1cccs1 ZINC000003557883 398089566 /nfs/dbraw/zinc/08/95/66/398089566.db2.gz DREJKXAQAAXWID-AATRIKPKSA-N 0 0 233.292 2.671 50 0 BFAARN Clc1cnc2cccc(Br)n12 ZINC000066322801 398090904 /nfs/dbraw/zinc/09/09/04/398090904.db2.gz SFSIUESCHSTXCI-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN CC(C)(C)C(=O)N(Cc1ccccn1)C1CC1 ZINC000032904012 398120073 /nfs/dbraw/zinc/12/00/73/398120073.db2.gz HTUWPCCHJIVDDE-UHFFFAOYSA-N 0 0 232.327 2.619 50 0 BFAARN CC(C)NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000040457499 167065658 /nfs/dbraw/zinc/06/56/58/167065658.db2.gz YDHKNFSBTYRYLQ-UHFFFAOYSA-N 0 0 245.244 2.773 50 0 BFAARN CC(C)NC(=O)NCc1c(F)cccc1Cl ZINC000000139334 167073118 /nfs/dbraw/zinc/07/31/18/167073118.db2.gz IZTPJRVTUIFFSA-UHFFFAOYSA-N 0 0 244.697 2.687 50 0 BFAARN CC(=O)N(Cc1ccncc1)c1ccccc1C ZINC000064553655 487561882 /nfs/dbraw/zinc/56/18/82/487561882.db2.gz HABZXWBVXGXPFB-UHFFFAOYSA-N 0 0 240.306 2.943 50 0 BFAARN COc1cc(Cn2ccnc2C)ccc1C ZINC000585090674 487575095 /nfs/dbraw/zinc/57/50/95/487575095.db2.gz OEXQANVODMHSKC-UHFFFAOYSA-N 0 0 216.284 2.557 50 0 BFAARN CC(C)OCCCn1cnc2ccccc21 ZINC000194552889 167227399 /nfs/dbraw/zinc/22/73/99/167227399.db2.gz FVGXFBBVTIHVCR-UHFFFAOYSA-N 0 0 218.300 2.851 50 0 BFAARN CS(=O)(=O)Oc1ccc(-c2ccccc2)cc1 ZINC000004666346 410011329 /nfs/dbraw/zinc/01/13/29/410011329.db2.gz CDSJENFSVVSOLZ-UHFFFAOYSA-N 0 0 248.303 2.692 50 0 BFAARN CCc1ccc(C(=O)N2CCCCCC2)o1 ZINC000046417531 410111943 /nfs/dbraw/zinc/11/19/43/410111943.db2.gz PDPVQDWDEVDLAX-UHFFFAOYSA-N 0 0 221.300 2.858 50 0 BFAARN Brc1ccc2c(n1)CCCC2 ZINC000049585008 166099974 /nfs/dbraw/zinc/09/99/74/166099974.db2.gz GJKJABMIDAWWHX-UHFFFAOYSA-N 0 0 212.090 2.723 50 0 BFAARN Brc1cnc(NC2CCCC2)nc1 ZINC000065337525 166104864 /nfs/dbraw/zinc/10/48/64/166104864.db2.gz IMDCVXSYAFPJTH-UHFFFAOYSA-N 0 0 242.120 2.594 50 0 BFAARN Brc1ccnc(OC2CCCC2)n1 ZINC000044117983 166102561 /nfs/dbraw/zinc/10/25/61/166102561.db2.gz HFZIVQWYZFUNAZ-UHFFFAOYSA-N 0 0 243.104 2.561 50 0 BFAARN Brc1ccnn1C1CCCC1 ZINC000082370620 166103177 /nfs/dbraw/zinc/10/31/77/166103177.db2.gz XDXXFUIHPOQJAS-UHFFFAOYSA-N 0 0 215.094 2.761 50 0 BFAARN Brc1cncnc1-c1ccccc1 ZINC000000331212 166106276 /nfs/dbraw/zinc/10/62/76/166106276.db2.gz SDPYFZLDWYNXJF-UHFFFAOYSA-N 0 0 235.084 2.906 50 0 BFAARN CCN(CC)C(=O)/C=C\c1ccccc1 ZINC000016890762 169744463 /nfs/dbraw/zinc/74/44/63/169744463.db2.gz GUYVMSJRMMFSQO-KHPPLWFESA-N 0 0 203.285 2.568 50 0 BFAARN CCN(CC)C(=O)N1c2ccccc2C[C@@H]1C ZINC000006702195 169753686 /nfs/dbraw/zinc/75/36/86/169753686.db2.gz PLGKQPHLXCSJRY-NSHDSACASA-N 0 0 232.327 2.899 50 0 BFAARN C(=C\c1nc(C2CC2)no1)\c1cscn1 ZINC000098009567 166228185 /nfs/dbraw/zinc/22/81/85/166228185.db2.gz TXQIMAFDQSLVSW-ARJAWSKDSA-N 0 0 219.269 2.574 50 0 BFAARN CC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000008700504 166439882 /nfs/dbraw/zinc/43/98/82/166439882.db2.gz SIHPOLPKOFXGNA-UHFFFAOYSA-N 0 0 205.188 2.683 50 0 BFAARN CCN(CC)C(=O)c1cccc2cccnc21 ZINC000032716572 169761006 /nfs/dbraw/zinc/76/10/06/169761006.db2.gz GDBKOQPHVBZMDL-UHFFFAOYSA-N 0 0 228.295 2.717 50 0 BFAARN CCN(CC)C(=O)c1cccnc1C(F)(F)F ZINC000097032074 169761019 /nfs/dbraw/zinc/76/10/19/169761019.db2.gz NUJVHIYGCSDTOC-UHFFFAOYSA-N 0 0 246.232 2.582 50 0 BFAARN CC(=O)c1cccc(OCC2CCOCC2)c1 ZINC000052172857 166478983 /nfs/dbraw/zinc/47/89/83/166478983.db2.gz ZVFKMLBMYKUKAA-UHFFFAOYSA-N 0 0 234.295 2.695 50 0 BFAARN CC(C)(C)C(=O)NCCc1cccc(F)c1 ZINC000040464844 166530551 /nfs/dbraw/zinc/53/05/51/166530551.db2.gz ISZZYLZJOBVUHD-UHFFFAOYSA-N 0 0 223.291 2.531 50 0 BFAARN CC(C)(C)C1=C(C(C)(C)C)[C@@H](CO)[C@H]1CO ZINC000043762072 166539652 /nfs/dbraw/zinc/53/96/52/166539652.db2.gz MOMGOSZCJRBXPM-AOOOYVTPSA-N 0 0 226.360 2.606 50 0 BFAARN CC(C)(C)NC(=O)CCc1ccc(F)c(F)c1 ZINC000046114955 166612588 /nfs/dbraw/zinc/61/25/88/166612588.db2.gz XWMLNLMUBSGWGD-UHFFFAOYSA-N 0 0 241.281 2.812 50 0 BFAARN CC(C)(C)NC(=O)CSC1CCCC1 ZINC000041391447 166617991 /nfs/dbraw/zinc/61/79/91/166617991.db2.gz UMJUPDRFNBGUNV-UHFFFAOYSA-N 0 0 215.362 2.577 50 0 BFAARN CC(C)(C)NC(=O)Nc1ccc(F)cc1F ZINC000074921602 166623434 /nfs/dbraw/zinc/62/34/34/166623434.db2.gz DYBXELYCBMYPEG-UHFFFAOYSA-N 0 0 228.242 2.885 50 0 BFAARN CC(C)(C)NC(=O)c1nc2ccccc2s1 ZINC000003329620 166628429 /nfs/dbraw/zinc/62/84/29/166628429.db2.gz WVFUAJCVUKKUOB-UHFFFAOYSA-N 0 0 234.324 2.825 50 0 BFAARN CC(C)(C)NC(=S)Nc1ccccc1F ZINC000004685263 166630200 /nfs/dbraw/zinc/63/02/00/166630200.db2.gz LHSREYRZXKDUQP-UHFFFAOYSA-N 0 0 226.320 2.911 50 0 BFAARN CC(C)(C)OC(=O)NC1Cc2ccccc2C1 ZINC000059072750 166659384 /nfs/dbraw/zinc/65/93/84/166659384.db2.gz FYBRJCKBOUQTPH-UHFFFAOYSA-N 0 0 233.311 2.679 50 0 BFAARN CC(C)CC(=O)N[C@@H](C)CCc1ccco1 ZINC000047741130 166767792 /nfs/dbraw/zinc/76/77/92/166767792.db2.gz FVNBPYUMNRANEC-NSHDSACASA-N 0 0 223.316 2.763 50 0 BFAARN CC(C)CC(=O)Nc1ccc(Cl)cn1 ZINC000000030490 166771825 /nfs/dbraw/zinc/77/18/25/166771825.db2.gz GUPVRROTWVLOQT-UHFFFAOYSA-N 0 0 212.680 2.720 50 0 BFAARN CC(C)c1noc([C@H](C)N2CCCCC2)n1 ZINC000040496414 410876233 /nfs/dbraw/zinc/87/62/33/410876233.db2.gz GEMKLYYQKZPKGT-JTQLQIEISA-N 0 0 223.320 2.740 50 0 BFAARN CC(C)CNc1c(N)c[nH+]c2ccccc21 ZINC000021989592 167015779 /nfs/dbraw/zinc/01/57/79/167015779.db2.gz JFMKIQOIIMSWIM-UHFFFAOYSA-N 0 0 215.300 2.885 50 0 BFAARN CC(C)CNc1ccc2c(c1)OCCO2 ZINC000019916065 167016674 /nfs/dbraw/zinc/01/66/74/167016674.db2.gz CMLGOAUKNWLAEZ-UHFFFAOYSA-N 0 0 207.273 2.526 50 0 BFAARN CC(C)N1CCn2c3ccc(Cl)cc3nc2C1 ZINC000021799923 167027746 /nfs/dbraw/zinc/02/77/46/167027746.db2.gz OQXPTUNXGVNWJF-UHFFFAOYSA-N 0 0 249.745 2.914 50 0 BFAARN CC(C)NC(=O)[C@@H](C)SC1CCCC1 ZINC000060568437 167081332 /nfs/dbraw/zinc/08/13/32/167081332.db2.gz PICAXYPDBNYYBI-SECBINFHSA-N 0 0 215.362 2.575 50 0 BFAARN CC(C)NC(=O)NC1CCCCCCC1 ZINC000058467535 167071413 /nfs/dbraw/zinc/07/14/13/167071413.db2.gz MCEKCJAHJUAEKB-UHFFFAOYSA-N 0 0 212.337 2.807 50 0 BFAARN CC(C)NC(=O)NCc1ccccc1Cl ZINC000045651841 167076216 /nfs/dbraw/zinc/07/62/16/167076216.db2.gz OEWGYMDQGKPGTL-UHFFFAOYSA-N 0 0 226.707 2.548 50 0 BFAARN CC(C)NC(=O)[C@H](C)SCc1ccccc1 ZINC000000379733 167084061 /nfs/dbraw/zinc/08/40/61/167084061.db2.gz ZUBJFVQHAUULMC-NSHDSACASA-N 0 0 237.368 2.833 50 0 BFAARN CC(C)NC(=O)c1ccccc1C(F)(F)F ZINC000016651652 167089633 /nfs/dbraw/zinc/08/96/33/167089633.db2.gz WOPWGJQRMPNINY-UHFFFAOYSA-N 0 0 231.217 2.844 50 0 BFAARN CC(C)NC(=O)c1ncoc1-c1cccs1 ZINC000021641802 167091780 /nfs/dbraw/zinc/09/17/80/167091780.db2.gz HNKBIZMPSMVNJX-UHFFFAOYSA-N 0 0 236.296 2.541 50 0 BFAARN CC(C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000000318754 167131080 /nfs/dbraw/zinc/13/10/80/167131080.db2.gz MWRLXNPNYHYJPF-UHFFFAOYSA-N 0 0 249.335 2.527 50 0 BFAARN CC(C)Nc1ncnc2c(F)cccc12 ZINC000041471119 167151827 /nfs/dbraw/zinc/15/18/27/167151827.db2.gz DLZOGFWOGWVCRY-UHFFFAOYSA-N 0 0 205.236 2.589 50 0 BFAARN CC(C)Oc1ccc(C(=O)N2CCCC2)cc1 ZINC000006746392 167289833 /nfs/dbraw/zinc/28/98/33/167289833.db2.gz QYFZAUFNDSHHQU-UHFFFAOYSA-N 0 0 233.311 2.710 50 0 BFAARN CC(C)Oc1cncc(Br)c1 ZINC000039040018 167311723 /nfs/dbraw/zinc/31/17/23/167311723.db2.gz ASEHPOZWQJRWAD-UHFFFAOYSA-N 0 0 216.078 2.631 50 0 BFAARN CC(C)Oc1ncccc1C(F)(F)F ZINC000198777951 167314815 /nfs/dbraw/zinc/31/48/15/167314815.db2.gz FNKJAKZGFNSIFE-UHFFFAOYSA-N 0 0 205.179 2.888 50 0 BFAARN CC(C)SCC(=O)Nc1ccccc1 ZINC000000949474 167320516 /nfs/dbraw/zinc/32/05/16/167320516.db2.gz WXGABHJONNTAPZ-UHFFFAOYSA-N 0 0 209.314 2.767 50 0 BFAARN CC(C)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000000409081 167376473 /nfs/dbraw/zinc/37/64/73/167376473.db2.gz FUHIHFNTKRYEQQ-SNVBAGLBSA-N 0 0 206.289 2.853 50 0 BFAARN CC(C)[C@H]1CO[C@@]2(c3ccccc3)CCC(=O)N12 ZINC000000154905 167494903 /nfs/dbraw/zinc/49/49/03/167494903.db2.gz USVVTHSUMLVZJC-UKRRQHHQSA-N 0 0 245.322 2.517 50 0 biogenic BFAARN CC(C)c1cc(N)n(-c2ccc(F)cc2)n1 ZINC000012396068 167571055 /nfs/dbraw/zinc/57/10/55/167571055.db2.gz HSKDQHYGJZHGKA-UHFFFAOYSA-N 0 0 219.263 2.717 50 0 BFAARN CC(C)c1cc(NCC[C@@H]2CCCCO2)ncn1 ZINC000095375469 167576120 /nfs/dbraw/zinc/57/61/20/167576120.db2.gz ZUVQTRBPWRPVNV-LBPRGKRZSA-N 0 0 249.358 2.971 50 0 BFAARN O=C(CC(F)(F)F)N1CCc2ccccc2C1 ZINC000044595807 411138523 /nfs/dbraw/zinc/13/85/23/411138523.db2.gz TVZOWSXUOYMTHG-UHFFFAOYSA-N 0 0 243.228 2.524 50 0 BFAARN CC(C)=CC(=O)N(Cc1ccco1)C1CC1 ZINC000044698724 411139495 /nfs/dbraw/zinc/13/94/95/411139495.db2.gz OQMQHTZDRKOVKL-UHFFFAOYSA-N 0 0 219.284 2.737 50 0 BFAARN COc1cc(C(=O)NCc2ccoc2)ccc1C ZINC000045784057 411149014 /nfs/dbraw/zinc/14/90/14/411149014.db2.gz ARGVVAUTVBKJMZ-UHFFFAOYSA-N 0 0 245.278 2.527 50 0 BFAARN CC(=O)CSc1cnnc2ccc(C)cc21 ZINC000046087731 411152078 /nfs/dbraw/zinc/15/20/78/411152078.db2.gz NEGLVBSTSYHKDK-UHFFFAOYSA-N 0 0 232.308 2.619 50 0 BFAARN CN(Cc1ccco1)c1cnnc2ccccc21 ZINC000046087264 411156451 /nfs/dbraw/zinc/15/64/51/411156451.db2.gz LPUMKCAOCZNIKE-UHFFFAOYSA-N 0 0 239.278 2.859 50 0 BFAARN CC(C)c1nnc(NC(=O)C2CCCC2)s1 ZINC000008117165 167711282 /nfs/dbraw/zinc/71/12/82/167711282.db2.gz PKRFINLEINPTRQ-UHFFFAOYSA-N 0 0 239.344 2.790 50 0 BFAARN C[C@H](c1ccccn1)N(C(=O)C1CC1)C1CC1 ZINC000047178089 411112896 /nfs/dbraw/zinc/11/28/96/411112896.db2.gz XSUZOEVHUYTQMP-SNVBAGLBSA-N 0 0 230.311 2.544 50 0 BFAARN COc1cc(C)c([C@@H](O)CC2CC2)cc1OC ZINC000049731962 411243099 /nfs/dbraw/zinc/24/30/99/411243099.db2.gz ODPXKVSVBALMPS-LBPRGKRZSA-N 0 0 236.311 2.846 50 0 BFAARN COc1cc(C)c([C@H](O)CC2CC2)cc1OC ZINC000049731961 411243530 /nfs/dbraw/zinc/24/35/30/411243530.db2.gz ODPXKVSVBALMPS-GFCCVEGCSA-N 0 0 236.311 2.846 50 0 BFAARN Cc1csc(C(=O)c2ccc(F)cc2)n1 ZINC000048252173 411183518 /nfs/dbraw/zinc/18/35/18/411183518.db2.gz GGRLWHCLYNCIHQ-UHFFFAOYSA-N 0 0 221.256 2.822 50 0 BFAARN CCN(CC)C(=O)Nc1ccc(OC)c(C)c1 ZINC000048697323 411209359 /nfs/dbraw/zinc/20/93/59/411209359.db2.gz ZYYAXJAGTQQEHH-UHFFFAOYSA-N 0 0 236.315 2.877 50 0 BFAARN C[C@H]1CCCCN1C(=O)NOCc1ccccc1 ZINC000049339581 411230809 /nfs/dbraw/zinc/23/08/09/411230809.db2.gz CQINDYWRBYYANL-LBPRGKRZSA-N 0 0 248.326 2.702 50 0 BFAARN CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)c1cc[nH]n1 ZINC000117207349 411237188 /nfs/dbraw/zinc/23/71/88/411237188.db2.gz QPXKETNWBMTTCQ-YPMHNXCESA-N 0 0 249.358 2.697 50 0 BFAARN CC(C)[C@H]1CC[C@@H](C)CCN1C(=O)c1cc[nH]n1 ZINC000117207343 411237374 /nfs/dbraw/zinc/23/73/74/411237374.db2.gz QPXKETNWBMTTCQ-DGCLKSJQSA-N 0 0 249.358 2.697 50 0 BFAARN Cl/C=C/CSc1nnc2n1CCCCC2 ZINC000047821908 411165135 /nfs/dbraw/zinc/16/51/35/411165135.db2.gz DBWKGNNLQGYSIS-GQCTYLIASA-N 0 0 243.763 2.849 50 0 BFAARN CC/C=C(/C)C(=O)N[C@H](C)c1ccncc1 ZINC000065610145 167828825 /nfs/dbraw/zinc/82/88/25/167828825.db2.gz OTOHBJPCRLPNHV-GULOHRGCSA-N 0 0 218.300 2.615 50 0 BFAARN CC/C=C(\C)C(=O)NCCc1cccc(OC)c1 ZINC000048301450 167834683 /nfs/dbraw/zinc/83/46/83/167834683.db2.gz YHOIXYZAUACSNA-WUXMJOGZSA-N 0 0 247.338 2.710 50 0 BFAARN Cc1nonc1C(=O)Nc1cccc(C(C)C)c1 ZINC000089556412 411273555 /nfs/dbraw/zinc/27/35/55/411273555.db2.gz ZRDNMVXMYYBHNL-UHFFFAOYSA-N 0 0 245.282 2.754 50 0 BFAARN CC1(O)c2ccccc2C(C)(O)c2ccccc21 ZINC000000399926 168071192 /nfs/dbraw/zinc/07/11/92/168071192.db2.gz VAJFPXIGVWUIHR-UHFFFAOYSA-N 0 0 240.302 2.512 50 0 BFAARN CC1=NC(=S)N[C@@H](c2ccccc2)C1C ZINC000008686604 168086409 /nfs/dbraw/zinc/08/64/09/168086409.db2.gz LVLSWQUSHVNHNB-LLVKDONJSA-N 0 0 218.325 2.911 50 0 BFAARN CC1=NC(=S)N[C@H](c2ccccc2)C1C ZINC000008686602 168086801 /nfs/dbraw/zinc/08/68/01/168086801.db2.gz LVLSWQUSHVNHNB-NSHDSACASA-N 0 0 218.325 2.911 50 0 BFAARN CC1=Nc2ncnn2[C@H](c2ccc(Cl)cc2)C1 ZINC000100622309 168124709 /nfs/dbraw/zinc/12/47/09/168124709.db2.gz SDQJZUIWKMSUCS-NSHDSACASA-N 0 0 246.701 2.850 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NCC1CCC(C)CC1 ZINC000055488729 168154703 /nfs/dbraw/zinc/15/47/03/168154703.db2.gz SBONKHRQYTZJEG-RSJDFQLWSA-N 0 0 209.333 2.585 50 0 BFAARN CC1CCC(NC(=O)c2ccccc2N)CC1 ZINC000002868815 168163138 /nfs/dbraw/zinc/16/31/38/168163138.db2.gz VJKCHJUHAVFYKR-UHFFFAOYSA-N 0 0 232.327 2.577 50 0 BFAARN CC1CCN(C(=O)Cc2cccs2)CC1 ZINC000005427512 168172942 /nfs/dbraw/zinc/17/29/42/168172942.db2.gz HXFBIOPIKXTUIV-UHFFFAOYSA-N 0 0 223.341 2.549 50 0 BFAARN C[C@H](CC(F)F)C(=O)N1CCC(C)CC1 ZINC000336282212 168175418 /nfs/dbraw/zinc/17/54/18/168175418.db2.gz HFLSGZIIJJILPE-SECBINFHSA-N 0 0 219.275 2.536 50 0 BFAARN CC1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000000088937 168175749 /nfs/dbraw/zinc/17/57/49/168175749.db2.gz FJYSPQMJFWVGNN-UHFFFAOYSA-N 0 0 239.265 2.837 50 0 BFAARN CC1CCN(C(=S)c2cccc(O)c2)CC1 ZINC000000521455 168178036 /nfs/dbraw/zinc/17/80/36/168178036.db2.gz KGTKJRHKZFXETB-UHFFFAOYSA-N 0 0 235.352 2.800 50 0 BFAARN CC(C)c1noc([C@H](C)N2CCC(C)CC2)n1 ZINC000044583973 168185596 /nfs/dbraw/zinc/18/55/96/168185596.db2.gz PJAWCZRHBOXDIV-NSHDSACASA-N 0 0 237.347 2.986 50 0 BFAARN CCC(=O)N(Cc1cccs1)C1CC1 ZINC000045257722 168214495 /nfs/dbraw/zinc/21/44/95/168214495.db2.gz OWGBTPJYXRYWFX-UHFFFAOYSA-N 0 0 209.314 2.649 50 0 BFAARN CCC(=O)N1CCN=C1SCc1ccccc1 ZINC000004119789 168221731 /nfs/dbraw/zinc/22/17/31/168221731.db2.gz NRFVKWMXTVMTKQ-UHFFFAOYSA-N 0 0 248.351 2.528 50 0 BFAARN CCC(=O)NCCSCc1ccc(C)cc1 ZINC000058316310 168230864 /nfs/dbraw/zinc/23/08/64/168230864.db2.gz OZGJSQHAUKZZDH-UHFFFAOYSA-N 0 0 237.368 2.754 50 0 BFAARN CCC(=O)NCc1cccc(CSC)c1 ZINC000189485365 168233044 /nfs/dbraw/zinc/23/30/44/168233044.db2.gz LZDGGBRZKAQZAX-UHFFFAOYSA-N 0 0 223.341 2.576 50 0 BFAARN CCC(=O)N[C@@H](C)COc1ccc(C)c(C)c1 ZINC000072117774 168234507 /nfs/dbraw/zinc/23/45/07/168234507.db2.gz KQIQIZBWUFCQML-LBPRGKRZSA-N 0 0 235.327 2.597 50 0 BFAARN CCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000006698373 168236397 /nfs/dbraw/zinc/23/63/97/168236397.db2.gz JKNYTKDSHVFMON-NSHDSACASA-N 0 0 205.301 2.891 50 0 BFAARN CCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000004656414 168236474 /nfs/dbraw/zinc/23/64/74/168236474.db2.gz YCGUYIHFXOEXAP-QMMMGPOBSA-N 0 0 211.692 2.927 50 0 BFAARN CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000000457887 168243095 /nfs/dbraw/zinc/24/30/95/168243095.db2.gz BLFZFHIHTDNJNM-UHFFFAOYSA-N 0 0 243.690 2.706 50 0 BFAARN CCC(=O)Nc1ccc(-c2coc(C)n2)cc1 ZINC000012914708 168243416 /nfs/dbraw/zinc/24/34/16/168243416.db2.gz JBGJRJUFZAQGBB-UHFFFAOYSA-N 0 0 230.267 2.999 50 0 BFAARN CCC(=O)Nc1cc(Cl)ccc1OC ZINC000000316175 168243527 /nfs/dbraw/zinc/24/35/27/168243527.db2.gz HAEVOHOWBAUKGW-UHFFFAOYSA-N 0 0 213.664 2.697 50 0 BFAARN CCC(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1 ZINC000012138740 168244108 /nfs/dbraw/zinc/24/41/08/168244108.db2.gz XAECELFTTFHQEY-JTQLQIEISA-N 0 0 248.326 2.563 50 0 BFAARN CCC(=O)Nc1ccc(C)cc1-c1cncnc1 ZINC000032547873 168244211 /nfs/dbraw/zinc/24/42/11/168244211.db2.gz NXSKRFXQBDOLKG-UHFFFAOYSA-N 0 0 241.294 2.801 50 0 BFAARN CCC(=O)Nc1cccc(NC(=O)C2CCC2)c1 ZINC000012913516 168245404 /nfs/dbraw/zinc/24/54/04/168245404.db2.gz RUICPRVZPPVIRQ-UHFFFAOYSA-N 0 0 246.310 2.774 50 0 BFAARN CCC(=O)Nc1cccc2ncccc21 ZINC000005027964 168247623 /nfs/dbraw/zinc/24/76/23/168247623.db2.gz OQXCBWHGIFXWRU-UHFFFAOYSA-N 0 0 200.241 2.583 50 0 BFAARN CCC(=O)Nc1nnc(-c2ccc(C)cc2C)o1 ZINC000005169619 168247921 /nfs/dbraw/zinc/24/79/21/168247921.db2.gz YJRRWKPNPNTWDB-UHFFFAOYSA-N 0 0 245.282 2.702 50 0 BFAARN CCC(=O)Nc1nc(C(F)(F)F)cs1 ZINC000036393787 168248448 /nfs/dbraw/zinc/24/84/48/168248448.db2.gz HKSUYISJUAXQSA-UHFFFAOYSA-N 0 0 224.207 2.510 50 0 BFAARN CCC(=O)Nc1nc2ccccc2s1 ZINC000000097535 168248450 /nfs/dbraw/zinc/24/84/50/168248450.db2.gz RYWYJGXIHQNKFE-UHFFFAOYSA-N 0 0 206.270 2.645 50 0 BFAARN CCC(=O)Nc1nc2c(cc(F)cc2F)s1 ZINC000001516376 168248518 /nfs/dbraw/zinc/24/85/18/168248518.db2.gz GWWIBAFXDOVRCY-UHFFFAOYSA-N 0 0 242.250 2.923 50 0 BFAARN CCC(=O)O[C@@H]1C[C@@H]2C[C@H]1[C@H]1CC=C[C@H]21 ZINC000004083568 168250250 /nfs/dbraw/zinc/25/02/50/168250250.db2.gz BLBJUGKATXCWET-KZZRWZIVSA-N 0 0 206.285 2.540 50 0 biogenic BFAARN CCC(=O)O[C@H]1C[C@@H]2C[C@H]1[C@H]1CC=C[C@@H]21 ZINC000003882636 168251084 /nfs/dbraw/zinc/25/10/84/168251084.db2.gz BLBJUGKATXCWET-HTFCKZLJSA-N 0 0 206.285 2.540 50 0 BFAARN CCC(=O)c1ccc(Br)cc1N ZINC000003878707 168255002 /nfs/dbraw/zinc/25/50/02/168255002.db2.gz AGLYBVSXCJCLLJ-UHFFFAOYSA-N 0 0 228.089 2.624 50 0 BFAARN CCC(=O)c1ccc(OCCn2ccnc2)cc1 ZINC000004810569 168256516 /nfs/dbraw/zinc/25/65/16/168256516.db2.gz QPXMKKZJWSTETK-UHFFFAOYSA-N 0 0 244.294 2.555 50 0 BFAARN CCC(C)(C)C(=O)NCC1(O)CCCCCC1 ZINC000071914426 168265122 /nfs/dbraw/zinc/26/51/22/168265122.db2.gz IFKPOAHFFQJKMU-UHFFFAOYSA-N 0 0 241.375 2.624 50 0 BFAARN CCC(C)(C)NC(=O)Cc1noc2ccccc12 ZINC000046539441 168291752 /nfs/dbraw/zinc/29/17/52/168291752.db2.gz JVZLWIRMPDPPDG-UHFFFAOYSA-N 0 0 246.310 2.675 50 0 BFAARN CCC(C)(C)NC(=O)[C@@H](C)Oc1ccccc1 ZINC000004702936 168294473 /nfs/dbraw/zinc/29/44/73/168294473.db2.gz XKJWJWAHIZDBTQ-LLVKDONJSA-N 0 0 235.327 2.759 50 0 BFAARN CCNC(=O)C1(c2ccccc2)CCCC1 ZINC000000270891 170044245 /nfs/dbraw/zinc/04/42/45/170044245.db2.gz UOSMLJMYMNZUQP-UHFFFAOYSA-N 0 0 217.312 2.635 50 0 BFAARN CCNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000080612151 170074485 /nfs/dbraw/zinc/07/44/85/170074485.db2.gz IGPJCAAUSYOGIM-LLVKDONJSA-N 0 0 238.718 2.816 50 0 BFAARN CCNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000043467076 170081866 /nfs/dbraw/zinc/08/18/66/170081866.db2.gz VEXLWOCOQMFZBM-QMMMGPOBSA-N 0 0 226.707 2.720 50 0 BFAARN CCNC(=O)Nc1nc2ccc(F)cc2s1 ZINC000012592703 170085516 /nfs/dbraw/zinc/08/55/16/170085516.db2.gz SYIJVHYVIUFYBL-UHFFFAOYSA-N 0 0 239.275 2.577 50 0 BFAARN CCNC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000096416399 170089724 /nfs/dbraw/zinc/08/97/24/170089724.db2.gz WJZDBABZFUMBFK-ZDUSSCGKSA-N 0 0 219.328 2.637 50 0 BFAARN CCNC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000020493552 170090103 /nfs/dbraw/zinc/09/01/03/170090103.db2.gz NQTJPAFYIVBPBI-LLVKDONJSA-N 0 0 235.327 2.713 50 0 BFAARN CCNC(=O)[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000004284430 170093079 /nfs/dbraw/zinc/09/30/79/170093079.db2.gz VUNOFAIHSALQQH-QJPTWQEYSA-N 0 0 211.349 2.831 50 0 endogenous,in-man BFAARN CCNC(=O)c1cc(C)nc2c(C)cccc12 ZINC000064553252 170099984 /nfs/dbraw/zinc/09/99/84/170099984.db2.gz RHQUEJUVEJGNTB-UHFFFAOYSA-N 0 0 228.295 2.601 50 0 BFAARN CCNC(=O)c1cc(C)nc2c(C)cc(C)cc12 ZINC000064551766 170100373 /nfs/dbraw/zinc/10/03/73/170100373.db2.gz VXQXGFWCLAJNIP-UHFFFAOYSA-N 0 0 242.322 2.910 50 0 BFAARN CCNC(=S)Nc1cc(C)ccc1C ZINC000007522011 170106407 /nfs/dbraw/zinc/10/64/07/170106407.db2.gz AVEUTYHPTNEWDY-UHFFFAOYSA-N 0 0 208.330 2.610 50 0 BFAARN CCNC(=S)Nc1cc(Cl)ccc1OC ZINC000000439626 170106517 /nfs/dbraw/zinc/10/65/17/170106517.db2.gz BLPRCXYFHRIUCD-UHFFFAOYSA-N 0 0 244.747 2.655 50 0 BFAARN CCNc1nc(-c2ccccn2)nc(C)c1C ZINC000050864233 170175467 /nfs/dbraw/zinc/17/54/67/170175467.db2.gz YNHLOJVGJPOZIQ-UHFFFAOYSA-N 0 0 228.299 2.587 50 0 BFAARN CCOC(=N)c1cccc(Br)c1 ZINC000037928015 170180359 /nfs/dbraw/zinc/18/03/59/170180359.db2.gz ZNYGBKFOKSKHGM-UHFFFAOYSA-N 0 0 228.089 2.811 50 0 BFAARN CCOC(=O)C=C(C)Nc1ccc(F)cc1 ZINC000016682080 170182489 /nfs/dbraw/zinc/18/24/89/170182489.db2.gz BUDOLSNUNUYBLF-HJWRWDBZSA-N 0 0 223.247 2.705 50 0 BFAARN CCOC(=O)/C=C/c1ccccc1OCC ZINC000002566135 170183210 /nfs/dbraw/zinc/18/32/10/170183210.db2.gz WJRLRVSUBGIUGI-MDZDMXLPSA-N 0 0 220.268 2.662 50 0 BFAARN CCOC(=O)C(=O)c1cccc2ccccc21 ZINC000002245473 170184798 /nfs/dbraw/zinc/18/47/98/170184798.db2.gz YACNOKOTOHNDBU-UHFFFAOYSA-N 0 0 228.247 2.586 50 0 BFAARN CCOC(=O)C(=O)c1ccc2ccccc2c1 ZINC000002387805 170184836 /nfs/dbraw/zinc/18/48/36/170184836.db2.gz BISFEMJTHWDHRB-UHFFFAOYSA-N 0 0 228.247 2.586 50 0 BFAARN CCOC(=O)CC1=CC(=O)Nc2ccccc2N1 ZINC000005250271 170197816 /nfs/dbraw/zinc/19/78/16/170197816.db2.gz NDGDBPDXUSFOML-UHFFFAOYSA-N 0 0 246.266 2.537 50 0 BFAARN CCOC(=O)COc1ccccc1C(C)(C)C ZINC000004661864 170229458 /nfs/dbraw/zinc/22/94/58/170229458.db2.gz ZGSKZKUYGQAKDH-UHFFFAOYSA-N 0 0 236.311 2.926 50 0 BFAARN CCOC(=O)CSc1ccc(F)cc1F ZINC000037374888 170229628 /nfs/dbraw/zinc/22/96/28/170229628.db2.gz KUBKIGRWPLEZRO-UHFFFAOYSA-N 0 0 232.251 2.620 50 0 BFAARN CCOC(=O)Cc1ccc(Cl)cc1F ZINC000006655630 170235335 /nfs/dbraw/zinc/23/53/35/170235335.db2.gz UNWCPRLQLHLRLY-UHFFFAOYSA-N 0 0 216.639 2.585 50 0 BFAARN CCOC(=O)Cc1ccccc1Br ZINC000000162137 170235770 /nfs/dbraw/zinc/23/57/70/170235770.db2.gz MZQXAVZPEZUJIJ-UHFFFAOYSA-N 0 0 243.100 2.555 50 0 BFAARN CCOC(=O)Cc1cccc2ccccc21 ZINC000000394916 170236261 /nfs/dbraw/zinc/23/62/61/170236261.db2.gz XIDPSKQLXKCVQN-UHFFFAOYSA-N 0 0 214.264 2.945 50 0 endogenous,in-man BFAARN CCOC(=O)Cc1cccc(Br)c1 ZINC000040448587 170236317 /nfs/dbraw/zinc/23/63/17/170236317.db2.gz CAERSDJFKGMKLY-UHFFFAOYSA-N 0 0 243.100 2.555 50 0 BFAARN CCOC(=O)N(C)CC/C=C/c1cccnc1 ZINC000034417184 170237520 /nfs/dbraw/zinc/23/75/20/170237520.db2.gz ZDHQNQBQAXQSEW-QPJJXVBHSA-N 0 0 234.299 2.573 50 0 BFAARN CCOC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000002100963 170239838 /nfs/dbraw/zinc/23/98/38/170239838.db2.gz AKPNWVKYAAVIIB-UHFFFAOYSA-N 0 0 244.294 2.683 50 0 biogenic BFAARN CCOC(=O)N[C@H]1CCCc2ccccc21 ZINC000005672645 170242840 /nfs/dbraw/zinc/24/28/40/170242840.db2.gz RUQOSAQQCDVMKV-LBPRGKRZSA-N 0 0 219.284 2.810 50 0 BFAARN CCOC(=O)Nc1ccc(-n2ccc(C)n2)cc1 ZINC000004779426 170244120 /nfs/dbraw/zinc/24/41/20/170244120.db2.gz ZBYMGBQMWUAFFW-UHFFFAOYSA-N 0 0 245.282 2.749 50 0 BFAARN CCOC(=O)Oc1ccc2oc(=O)cc(C)c2c1 ZINC000000088831 170244612 /nfs/dbraw/zinc/24/46/12/170244612.db2.gz OSHFELFZGMFHGJ-UHFFFAOYSA-N 0 0 248.234 2.637 50 0 BFAARN CCOC(=O)[C@@H](C)Nc1ccc2ccccc2n1 ZINC000049374334 170248449 /nfs/dbraw/zinc/24/84/49/170248449.db2.gz YIDFBEIKIGRKBU-SNVBAGLBSA-N 0 0 244.294 2.598 50 0 BFAARN CCOC(=O)[C@@H](Cc1ccccc1)c1ccno1 ZINC000001406279 170252613 /nfs/dbraw/zinc/25/26/13/170252613.db2.gz GOFCYRWPLKXVMI-LBPRGKRZSA-N 0 0 245.278 2.564 50 0 BFAARN CCOC(=O)[C@H]1CC=C(Br)CC1 ZINC000085477137 170279215 /nfs/dbraw/zinc/27/92/15/170279215.db2.gz JMGPAKUOUAFRNQ-ZETCQYMHSA-N 0 0 233.105 2.628 50 0 BFAARN CCOC(=O)c1[nH]c2c(cccc2OC)c1CC ZINC000006450378 170286321 /nfs/dbraw/zinc/28/63/21/170286321.db2.gz IHVXWOVETPBXSD-UHFFFAOYSA-N 0 0 247.294 2.916 50 0 BFAARN CCOC(=O)c1c(C)onc1-c1ccccc1 ZINC000002004362 170287313 /nfs/dbraw/zinc/28/73/13/170287313.db2.gz WFAYOALRVTWYQB-UHFFFAOYSA-N 0 0 231.251 2.827 50 0 BFAARN CCOC(=O)c1c(C)c(C)c(C)[nH]c1=S ZINC000002692950 170287387 /nfs/dbraw/zinc/28/73/87/170287387.db2.gz MSBBUBCWXLTXJM-UHFFFAOYSA-N 0 0 225.313 2.846 50 0 BFAARN CCOC(=O)c1c(C)c2ccccc2n1C ZINC000006870133 170287523 /nfs/dbraw/zinc/28/75/23/170287523.db2.gz BXBKNBNJZLQOJH-UHFFFAOYSA-N 0 0 217.268 2.663 50 0 BFAARN CCOC(=O)c1c(N)scc1-c1cccnc1 ZINC000000187065 170287838 /nfs/dbraw/zinc/28/78/38/170287838.db2.gz VWJGOMWKOGUABQ-UHFFFAOYSA-N 0 0 248.307 2.569 50 0 BFAARN CCOC(=O)c1c(N)sc2ccccc21 ZINC000000078114 170289278 /nfs/dbraw/zinc/28/92/78/170289278.db2.gz XNASJEQIJMDBQN-UHFFFAOYSA-N 0 0 221.281 2.660 50 0 BFAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)no1 ZINC000000266295 170290924 /nfs/dbraw/zinc/29/09/24/170290924.db2.gz FNEYQBSORYQAPC-UHFFFAOYSA-N 0 0 247.250 2.527 50 0 BFAARN CCOC(=O)c1cc(Cl)c(Cl)cc1N ZINC000072187485 170292130 /nfs/dbraw/zinc/29/21/30/170292130.db2.gz YCSGBGFAINYTPQ-UHFFFAOYSA-N 0 0 234.082 2.752 50 0 BFAARN CCOC(=O)c1cc2cc(F)c(F)cc2[nH]1 ZINC000014984990 170293486 /nfs/dbraw/zinc/29/34/86/170293486.db2.gz OVSOYWROLOCQIS-UHFFFAOYSA-N 0 0 225.194 2.623 50 0 BFAARN CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12 ZINC000006507046 170293501 /nfs/dbraw/zinc/29/35/01/170293501.db2.gz KOVRZNUMIKACTB-UHFFFAOYSA-N 0 0 240.262 2.893 50 0 in-vivo BFAARN CCOC(=O)c1cc2ccc(OCC)cc2[nH]1 ZINC000034925322 170294089 /nfs/dbraw/zinc/29/40/89/170294089.db2.gz YOZPDSFTRJPQAR-UHFFFAOYSA-N 0 0 233.267 2.743 50 0 BFAARN CCOC(=O)c1cc2ncnc(Cl)c2s1 ZINC000035269721 170294282 /nfs/dbraw/zinc/29/42/82/170294282.db2.gz VHIFKIGWDFTRLD-UHFFFAOYSA-N 0 0 242.687 2.521 50 0 BFAARN CCOC(=O)c1ccc(-c2ccccn2)o1 ZINC000045028401 170294820 /nfs/dbraw/zinc/29/48/20/170294820.db2.gz BMWULFGVLQAVEM-UHFFFAOYSA-N 0 0 217.224 2.518 50 0 BFAARN CCOC(=O)c1ccc(C(C)(F)F)cc1 ZINC000095725623 170295043 /nfs/dbraw/zinc/29/50/43/170295043.db2.gz XVTHJQHKAZPIDB-UHFFFAOYSA-N 0 0 214.211 2.975 50 0 BFAARN CCOC(=O)c1ccc(C(=O)C2CCC2)cc1 ZINC000002514311 170295524 /nfs/dbraw/zinc/29/55/24/170295524.db2.gz JVGGVLGYEVKWJU-UHFFFAOYSA-N 0 0 232.279 2.846 50 0 BFAARN CCOC(=O)c1ccc(NC(C)(C)C)c(N)c1 ZINC000041079741 170296325 /nfs/dbraw/zinc/29/63/25/170296325.db2.gz DHHDJDSBLWTIQL-UHFFFAOYSA-N 0 0 236.315 2.656 50 0 BFAARN CCOC(=O)c1ccc(OCC)c(Cl)c1 ZINC000002548239 170296828 /nfs/dbraw/zinc/29/68/28/170296828.db2.gz KZVDUPODUCECJJ-UHFFFAOYSA-N 0 0 228.675 2.915 50 0 BFAARN CCOC(=O)c1ccc(OCC)cc1OCC ZINC000000403466 170296949 /nfs/dbraw/zinc/29/69/49/170296949.db2.gz XCKIALVAGKRVNP-UHFFFAOYSA-N 0 0 238.283 2.661 50 0 BFAARN CCOC(=O)c1ccc2nc(C)ccc2c1 ZINC000022016759 170298708 /nfs/dbraw/zinc/29/87/08/170298708.db2.gz WLKKUWXLOSMSMH-UHFFFAOYSA-N 0 0 215.252 2.720 50 0 BFAARN CCOC(=O)c1cn2c3ccccc3sc2n1 ZINC000001393547 170300691 /nfs/dbraw/zinc/30/06/91/170300691.db2.gz REOXQBVMMDCPSB-UHFFFAOYSA-N 0 0 246.291 2.726 50 0 BFAARN CCOC(=O)c1ccsc1Br ZINC000011920200 170300810 /nfs/dbraw/zinc/30/08/10/170300810.db2.gz PDYDQPWWVZTVQD-UHFFFAOYSA-N 0 0 235.102 2.687 50 0 BFAARN CCOC(=O)c1cnc(Cl)c(Cl)c1 ZINC000002506657 170301474 /nfs/dbraw/zinc/30/14/74/170301474.db2.gz WGQSPCCCBKQNEV-UHFFFAOYSA-N 0 0 220.055 2.565 50 0 BFAARN CCOC(=O)c1nc(N)sc1-c1ccccc1 ZINC000034926450 170307102 /nfs/dbraw/zinc/30/71/02/170307102.db2.gz NFBPADMTYAJYRI-UHFFFAOYSA-N 0 0 248.307 2.569 50 0 BFAARN CCOC(=O)c1sc(N)nc1-c1ccccc1 ZINC000008637464 170310827 /nfs/dbraw/zinc/31/08/27/170310827.db2.gz OZMXFXOHCUEEPD-UHFFFAOYSA-N 0 0 248.307 2.569 50 0 biogenic,in-vitro BFAARN CCOC(=O)c1sc2cccc(C)c2c1N ZINC000039020193 170310917 /nfs/dbraw/zinc/31/09/17/170310917.db2.gz KGRKGSZJGFPMFK-UHFFFAOYSA-N 0 0 235.308 2.969 50 0 BFAARN CCOC(CCCc1ccncc1)OCC ZINC000044126244 170314510 /nfs/dbraw/zinc/31/45/10/170314510.db2.gz SHKVOWWHJCNEIT-UHFFFAOYSA-N 0 0 223.316 2.803 50 0 BFAARN CCOC(COc1ccccc1C)OCC ZINC000001641488 170316040 /nfs/dbraw/zinc/31/60/40/170316040.db2.gz WOLBINULTWPZEC-UHFFFAOYSA-N 0 0 224.300 2.773 50 0 BFAARN CCOC(OCC)c1cccc(C=O)c1 ZINC000002563929 170317038 /nfs/dbraw/zinc/31/70/38/170317038.db2.gz ZNUTVQHYWZPSSR-UHFFFAOYSA-N 0 0 208.257 2.571 50 0 BFAARN CCOCCCC(=O)NCc1ccccc1CC ZINC000096418794 170365290 /nfs/dbraw/zinc/36/52/90/170365290.db2.gz WCXBVAKXEGYQNW-UHFFFAOYSA-N 0 0 249.354 2.682 50 0 BFAARN CCOCCCNC(=O)/C(C)=C/c1ccccc1 ZINC000004694466 170375731 /nfs/dbraw/zinc/37/57/31/170375731.db2.gz QPCFXHLFHZQXQD-OUKQBFOZSA-N 0 0 247.338 2.633 50 0 BFAARN CCOc1c(F)cccc1Br ZINC000039325994 170514223 /nfs/dbraw/zinc/51/42/23/170514223.db2.gz QUPXYTPDGYOCQT-UHFFFAOYSA-N 0 0 219.053 2.987 50 0 BFAARN CCOc1cc(C(=O)NC(C)C)cc2occc21 ZINC000072240122 170516589 /nfs/dbraw/zinc/51/65/89/170516589.db2.gz JCPCSCXRJURWDD-UHFFFAOYSA-N 0 0 247.294 2.970 50 0 BFAARN CCOc1ccc(C(=O)NC2CCCC2)cc1 ZINC000000438096 170538043 /nfs/dbraw/zinc/53/80/43/170538043.db2.gz HXGRRQDYAWDZCN-UHFFFAOYSA-N 0 0 233.311 2.758 50 0 BFAARN CCOc1ccc(NC(=O)NC2CC2)c(C)c1 ZINC000048142208 170550207 /nfs/dbraw/zinc/55/02/07/170550207.db2.gz KZFGLOLBHYPUPB-UHFFFAOYSA-N 0 0 234.299 2.678 50 0 BFAARN CCOc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000013326429 170551214 /nfs/dbraw/zinc/55/12/14/170551214.db2.gz QBARECPEBXJSAF-CABZTGNLSA-N 0 0 219.284 2.680 50 0 BFAARN CCOc1ccc(N[C@@H](C)c2nc(C)no2)cc1 ZINC000069877985 170553608 /nfs/dbraw/zinc/55/36/08/170553608.db2.gz BJULZTXXJGOPQO-VIFPVBQESA-N 0 0 247.298 2.950 50 0 BFAARN CCSCC[C@H](C)NC(=O)C[C@H]1C=CCC1 ZINC000096433055 170642511 /nfs/dbraw/zinc/64/25/11/170642511.db2.gz FLDPAJHHNSCHFE-RYUDHWBXSA-N 0 0 241.400 2.991 50 0 BFAARN CCSCc1ccccc1OC(=O)NC ZINC000002011298 170644824 /nfs/dbraw/zinc/64/48/24/170644824.db2.gz HEZNVIYQEUHLNI-UHFFFAOYSA-N 0 0 225.313 2.658 50 0 endogenous,in-man BFAARN CC[C@@H](C)NC(=O)Nc1c(C)cccc1OC ZINC000195038374 170742698 /nfs/dbraw/zinc/74/26/98/170742698.db2.gz MTEGMDNEMIQAQB-SNVBAGLBSA-N 0 0 236.315 2.924 50 0 BFAARN CC[C@@H](C)NC(=O)NCc1ccc(C)cc1 ZINC000013746307 170743413 /nfs/dbraw/zinc/74/34/13/170743413.db2.gz WYOUKHKMKZLADU-LLVKDONJSA-N 0 0 220.316 2.593 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1cccc(OC)c1 ZINC000012851142 170743978 /nfs/dbraw/zinc/74/39/78/170743978.db2.gz MOKKSFXBYYSPAJ-SECBINFHSA-N 0 0 222.288 2.615 50 0 BFAARN CC[C@@H](SCC(=O)N(C)C)c1ccccc1 ZINC000095411517 170950173 /nfs/dbraw/zinc/95/01/73/170950173.db2.gz LZVIBCDSUFZTRP-GFCCVEGCSA-N 0 0 237.368 2.959 50 0 BFAARN CC[C@@]1(C)Oc2ccc(NC(=O)C3CC3)cc2O1 ZINC000002492602 171209566 /nfs/dbraw/zinc/20/95/66/171209566.db2.gz XAWHQGWMYDKCIO-AWEZNQCLSA-N 0 0 247.294 2.933 50 0 BFAARN CC[C@H](C(=O)NC(C)C)c1ccccc1 ZINC000002041989 171226956 /nfs/dbraw/zinc/22/69/56/171226956.db2.gz TUSGSZXRIZJZIW-LBPRGKRZSA-N 0 0 205.301 2.705 50 0 BFAARN CC[C@H](C(=O)[O-])[N@H+](CC)Cc1ccccc1C ZINC000191403632 171236627 /nfs/dbraw/zinc/23/66/27/171236627.db2.gz ULCWGVAOIRDKFA-CYBMUJFWSA-N 0 0 235.327 2.680 50 0 BFAARN CC[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000044895786 171251306 /nfs/dbraw/zinc/25/13/06/171251306.db2.gz JWDRXPHFNXBGCV-JTQLQIEISA-N 0 0 223.291 2.531 50 0 BFAARN CC[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000005665263 171253063 /nfs/dbraw/zinc/25/30/63/171253063.db2.gz VOZIYZAFDNZVQF-QWRGUYRKSA-N 0 0 205.301 2.910 50 0 BFAARN CC[C@H](C)C(=O)N[C@H](C)c1csc(C)n1 ZINC000078562719 171253937 /nfs/dbraw/zinc/25/39/37/171253937.db2.gz DZXJOMHXXHNVRA-JGVFFNPUSA-N 0 0 226.345 2.675 50 0 BFAARN CC[C@H](C)NC(=O)CCOc1ccc(F)cc1 ZINC000045262887 171324101 /nfs/dbraw/zinc/32/41/01/171324101.db2.gz FCZHFWVQCRTHFE-JTQLQIEISA-N 0 0 239.290 2.509 50 0 BFAARN CC[C@H](C)NC(=O)COc1cccc(Cl)c1 ZINC000000094060 171327286 /nfs/dbraw/zinc/32/72/86/171327286.db2.gz NJVQUYFYUVZXCE-VIFPVBQESA-N 0 0 241.718 2.634 50 0 BFAARN CC[C@H](C)NC(=O)COc1ccc(Cl)cc1 ZINC000005468524 171327573 /nfs/dbraw/zinc/32/75/73/171327573.db2.gz YRCHDGZHGAARGY-VIFPVBQESA-N 0 0 241.718 2.634 50 0 BFAARN CC[C@H](C)NC(=O)Cc1cc(C)ccc1C ZINC000038753042 171327669 /nfs/dbraw/zinc/32/76/69/171327669.db2.gz JVELOEGQSKMUCG-LBPRGKRZSA-N 0 0 219.328 2.761 50 0 BFAARN CC[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000013745670 171330183 /nfs/dbraw/zinc/33/01/83/171330183.db2.gz NZTAKZCQLDQXAZ-GARJFASQSA-N 0 0 212.337 2.663 50 0 BFAARN CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000013001585 171332305 /nfs/dbraw/zinc/33/23/05/171332305.db2.gz AORSHQLOSLDSTP-NWDGAFQWSA-N 0 0 235.327 2.677 50 0 BFAARN CC[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000000075763 171337384 /nfs/dbraw/zinc/33/73/84/171337384.db2.gz YVDLPBBDWKACMC-QMMMGPOBSA-N 0 0 211.692 2.868 50 0 BFAARN CC[C@H](C)[C@@H](C)Nc1ccc(C)c(C(N)=O)c1 ZINC000183118556 171367702 /nfs/dbraw/zinc/36/77/02/171367702.db2.gz VILPLOQHVAMABN-GXSJLCMTSA-N 0 0 234.343 2.940 50 0 BFAARN CC[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000013328183 171505654 /nfs/dbraw/zinc/50/56/54/171505654.db2.gz BTNVBFONMFJOEG-KBPBESRZSA-N 0 0 247.338 2.741 50 0 BFAARN CC[C@H](O)Cc1cc(C)c2ccc(OC)cc2n1 ZINC000091486936 171579928 /nfs/dbraw/zinc/57/99/28/171579928.db2.gz WQTFZTUHKIFADY-LBPRGKRZSA-N 0 0 245.322 2.865 50 0 BFAARN CCc1cc(C(=O)NCc2ccccn2)cs1 ZINC000020191860 171753656 /nfs/dbraw/zinc/75/36/56/171753656.db2.gz HNAHFVHGIAKJRK-UHFFFAOYSA-N 0 0 246.335 2.636 50 0 BFAARN CCc1cc(O)ccc1NC(=O)c1ccncc1 ZINC000191072563 171770795 /nfs/dbraw/zinc/77/07/95/171770795.db2.gz TXHQTKHSOXBKNF-UHFFFAOYSA-N 0 0 242.278 2.602 50 0 BFAARN CCc1ccc(-n2nc3ccc(N)cc3n2)cc1 ZINC000000178824 171781269 /nfs/dbraw/zinc/78/12/69/171781269.db2.gz CBEUCAOGCWMURO-UHFFFAOYSA-N 0 0 238.294 2.565 50 0 BFAARN CCc1ccc(C(=O)N(C)c2ccccn2)o1 ZINC000098012567 171784338 /nfs/dbraw/zinc/78/43/38/171784338.db2.gz FLGRNWBGWSDLKM-UHFFFAOYSA-N 0 0 230.267 2.514 50 0 BFAARN CCc1ccc(N)cc1Br ZINC000066325967 171816869 /nfs/dbraw/zinc/81/68/69/171816869.db2.gz IPHAQVXZIPRVRG-UHFFFAOYSA-N 0 0 200.079 2.594 50 0 BFAARN CCc1cccc(NC(=O)[C@H](C)n2cccn2)c1 ZINC000012876936 171861122 /nfs/dbraw/zinc/86/11/22/171861122.db2.gz OVHVWSADUBTFGW-NSHDSACASA-N 0 0 243.310 2.645 50 0 BFAARN CCc1cccc(NC(=O)c2cnc(C)cn2)c1 ZINC000006304767 171862309 /nfs/dbraw/zinc/86/23/09/171862309.db2.gz AKHIEBSXRQVQCD-UHFFFAOYSA-N 0 0 241.294 2.600 50 0 BFAARN CCc1ccccc1O[C@@H](C)C(=O)NC(C)(C)C ZINC000020049095 171891386 /nfs/dbraw/zinc/89/13/86/171891386.db2.gz YSGUXUIVVLIUAW-NSHDSACASA-N 0 0 249.354 2.931 50 0 BFAARN CCc1nc(C)ccc1OCc1cccnc1 ZINC000193725246 171965257 /nfs/dbraw/zinc/96/52/57/171965257.db2.gz IHSOWIZOUSDXAF-UHFFFAOYSA-N 0 0 228.295 2.926 50 0 BFAARN CCc1nc2c3ccccc3oc2c(N)n1 ZINC000005477538 171995694 /nfs/dbraw/zinc/99/56/94/171995694.db2.gz VIAWMAISBXFQDT-UHFFFAOYSA-N 0 0 213.240 2.521 50 0 BFAARN CCc1nnc(NC(=O)c2ccc(C)cc2)s1 ZINC000000175557 172059081 /nfs/dbraw/zinc/05/90/81/172059081.db2.gz MZOXDAAJYAZDTC-UHFFFAOYSA-N 0 0 247.323 2.661 50 0 BFAARN CCc1noc(-c2cc(Cl)ccc2N)n1 ZINC000021009754 172070944 /nfs/dbraw/zinc/07/09/44/172070944.db2.gz UQVCWPZDBFOGGM-UHFFFAOYSA-N 0 0 223.663 2.535 50 0 BFAARN CCc1noc(C)c1C(=O)N[C@H](C)C(C)(C)C ZINC000013744447 172075386 /nfs/dbraw/zinc/07/53/86/172075386.db2.gz WVIJHKMHAAOWNR-SECBINFHSA-N 0 0 238.331 2.710 50 0 BFAARN CCc1noc(C)c1C(=O)Nc1ccc(F)cc1 ZINC000007915449 172076451 /nfs/dbraw/zinc/07/64/51/172076451.db2.gz BCMKHHBMNONZGS-UHFFFAOYSA-N 0 0 248.257 2.937 50 0 BFAARN CCc1noc2ncnc(NC3CCCC3)c12 ZINC000035479056 172093872 /nfs/dbraw/zinc/09/38/72/172093872.db2.gz FPKSABFVPZMKKD-UHFFFAOYSA-N 0 0 232.287 2.535 50 0 BFAARN CCc1nsc(SCc2ncc(C)o2)n1 ZINC000095414735 172107572 /nfs/dbraw/zinc/10/75/72/172107572.db2.gz PFYZAOXOEVXYDP-UHFFFAOYSA-N 0 0 241.341 2.689 50 0 BFAARN CCc1sc(C(=O)N2CCCC2)cc1C ZINC000032667769 172128710 /nfs/dbraw/zinc/12/87/10/172128710.db2.gz ZGGFSZKEHFGCCS-UHFFFAOYSA-N 0 0 223.341 2.855 50 0 BFAARN CCn1c(=S)[nH]nc1-c1ccccc1 ZINC000000177784 172130907 /nfs/dbraw/zinc/13/09/07/172130907.db2.gz TWQMMYPNEWSRLM-UHFFFAOYSA-N 0 0 205.286 2.628 50 0 BFAARN CCn1c(C)cc(C(=O)NC2CCCC2)c1C ZINC000027065139 172136278 /nfs/dbraw/zinc/13/62/78/172136278.db2.gz VZYVRZBQNWTDKP-UHFFFAOYSA-N 0 0 234.343 2.797 50 0 BFAARN CCn1c(O)c(C(C)=O)c2cc(C)ccc21 ZINC000096026249 172146761 /nfs/dbraw/zinc/14/67/61/172146761.db2.gz WEDIAAXCCASNPB-UHFFFAOYSA-N 0 0 217.268 2.878 50 0 BFAARN CCn1c2ccccc2nc1SCCCO ZINC000061308143 172147477 /nfs/dbraw/zinc/14/74/77/172147477.db2.gz RYUKLEHTJHCHMT-UHFFFAOYSA-N 0 0 236.340 2.531 50 0 BFAARN CCn1c2[nH]c(=S)nnc2c2cccc(C)c21 ZINC000096319328 172149376 /nfs/dbraw/zinc/14/93/76/172149376.db2.gz QCRJZUVKTJCTNM-UHFFFAOYSA-N 0 0 244.323 2.597 50 0 BFAARN CCn1c2ccccc2c2nnc(SC)nc21 ZINC000000446142 172149572 /nfs/dbraw/zinc/14/95/72/172149572.db2.gz QXGOURJBGWHFPH-UHFFFAOYSA-N 0 0 244.323 2.721 50 0 BFAARN CCn1cc(C(=O)Nc2ccccc2F)c(C)n1 ZINC000002755496 172156357 /nfs/dbraw/zinc/15/63/57/172156357.db2.gz APMOFTNSJYOBFF-UHFFFAOYSA-N 0 0 247.273 2.603 50 0 BFAARN CCn1cc(N[C@H](C)c2nc(C(C)C)no2)cn1 ZINC000097139835 172187997 /nfs/dbraw/zinc/18/79/97/172187997.db2.gz AYHVYBDNIGUQIM-SECBINFHSA-N 0 0 249.318 2.583 50 0 BFAARN CCn1ccnc1COc1cccc(C(C)=O)c1 ZINC000054743593 172225977 /nfs/dbraw/zinc/22/59/77/172225977.db2.gz FXCWPJNYJTXVSD-UHFFFAOYSA-N 0 0 244.294 2.685 50 0 BFAARN CCn1nc(C)c2nc(C)nc(NCC(C)C)c21 ZINC000057312607 172249253 /nfs/dbraw/zinc/24/92/53/172249253.db2.gz FKOZLVWOBCZQBS-UHFFFAOYSA-N 0 0 247.346 2.531 50 0 BFAARN CN(C(=O)C1CC1)[C@H]1CCc2ccccc21 ZINC000032905277 172298580 /nfs/dbraw/zinc/29/85/80/172298580.db2.gz GCZXKXJDMTZRSR-ZDUSSCGKSA-N 0 0 215.296 2.542 50 0 BFAARN CN(C(=O)C1CC1)[C@H]1CCCc2ccccc21 ZINC000045294082 172298586 /nfs/dbraw/zinc/29/85/86/172298586.db2.gz QGVJSNLNIWWYNQ-AWEZNQCLSA-N 0 0 229.323 2.932 50 0 BFAARN CN(C)/C=C1/c2ccccc2N=C1Cl ZINC000106106683 172351184 /nfs/dbraw/zinc/35/11/84/172351184.db2.gz DGGKNBVTGBSNBL-CLFYSBASSA-N 0 0 206.676 2.872 50 0 BFAARN CN(C)C(=O)CSCc1cccc(Cl)c1 ZINC000044866996 172374636 /nfs/dbraw/zinc/37/46/36/172374636.db2.gz HGXSBTBYODXTPP-UHFFFAOYSA-N 0 0 243.759 2.661 50 0 BFAARN CN(C)C(=O)NC1(Cc2ccccc2)CCCC1 ZINC000097113278 172378754 /nfs/dbraw/zinc/37/87/54/172378754.db2.gz SOARSJUSILWQQF-UHFFFAOYSA-N 0 0 246.354 2.813 50 0 BFAARN CN(C)C(=O)c1ccc(-c2ccccc2)o1 ZINC000082116329 172388871 /nfs/dbraw/zinc/38/88/71/172388871.db2.gz PPPKGXVPIAENJJ-UHFFFAOYSA-N 0 0 215.252 2.648 50 0 BFAARN CN(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000000099644 172389452 /nfs/dbraw/zinc/38/94/52/172389452.db2.gz CBIBDXNRXPFAAU-UHFFFAOYSA-N 0 0 205.301 2.686 50 0 BFAARN CN(C)C(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000065340089 172391205 /nfs/dbraw/zinc/39/12/05/172391205.db2.gz KLLWGJYDRRKDNX-UHFFFAOYSA-N 0 0 241.290 2.761 50 0 BFAARN CN(C)C(=O)c1ccccc1Oc1cccnc1 ZINC000069369016 172392549 /nfs/dbraw/zinc/39/25/49/172392549.db2.gz GQMSRPSAJZZVAG-UHFFFAOYSA-N 0 0 242.278 2.576 50 0 BFAARN CN(C)c1ccc(-c2ccnc(Cl)n2)cc1 ZINC000040450117 172547622 /nfs/dbraw/zinc/54/76/22/172547622.db2.gz GMDQJAOYGPFWCR-UHFFFAOYSA-N 0 0 233.702 2.863 50 0 BFAARN CN(Cc1cccc(F)c1)C(=O)C(C)(C)C ZINC000033000184 172862453 /nfs/dbraw/zinc/86/24/53/172862453.db2.gz GZHLZRKCPXVPDV-UHFFFAOYSA-N 0 0 223.291 2.830 50 0 BFAARN CN(Cc1ccccc1)C(=O)/C=C/c1ccco1 ZINC000000574585 172868432 /nfs/dbraw/zinc/86/84/32/172868432.db2.gz QRDJNFRGRJEHHP-MDZDMXLPSA-N 0 0 241.290 2.951 50 0 BFAARN CN(Cc1ccccc1)c1ccccc1N ZINC000019394713 172873734 /nfs/dbraw/zinc/87/37/34/172873734.db2.gz SFRQUJMDLVKDIY-UHFFFAOYSA-N 0 0 212.296 2.905 50 0 BFAARN CN1CCO[C@]12CCCC[C@H]2Oc1ccccc1 ZINC000257356477 173109891 /nfs/dbraw/zinc/10/98/91/173109891.db2.gz IHEOZRCZMDIADV-CABCVRRESA-N 0 0 247.338 2.666 50 0 BFAARN CNC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000032999468 173223055 /nfs/dbraw/zinc/22/30/55/173223055.db2.gz BSQRACXMASPDSH-UHFFFAOYSA-N 0 0 237.730 2.898 50 0 BFAARN CNC(=O)Nc1cc(Cl)ccc1Cl ZINC000000396519 173292699 /nfs/dbraw/zinc/29/26/99/173292699.db2.gz TXDPKYYUDFWYIN-UHFFFAOYSA-N 0 0 219.071 2.745 50 0 BFAARN CNC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000027758464 173292883 /nfs/dbraw/zinc/29/28/83/173292883.db2.gz SCANLUDCBWJDHB-UHFFFAOYSA-N 0 0 206.289 2.735 50 0 BFAARN CNC(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000084580792 173296135 /nfs/dbraw/zinc/29/61/35/173296135.db2.gz DZJZGBTVJJCRCX-JTQLQIEISA-N 0 0 213.280 2.689 50 0 BFAARN CNC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000071915454 173301864 /nfs/dbraw/zinc/30/18/64/173301864.db2.gz WSSNZDYNJDYHRX-MRVPVSSYSA-N 0 0 245.244 2.630 50 0 BFAARN CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000089385840 173308405 /nfs/dbraw/zinc/30/84/05/173308405.db2.gz WIGOYGLWPDYVGT-BDAKNGLRSA-N 0 0 244.121 2.843 50 0 BFAARN CNC(=O)c1ccc(-c2ccc(F)cc2)nc1C ZINC000257173124 173310111 /nfs/dbraw/zinc/31/01/11/173310111.db2.gz DGONGCIWCDROBC-UHFFFAOYSA-N 0 0 244.269 2.556 50 0 BFAARN CNC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000069564232 173310189 /nfs/dbraw/zinc/31/01/89/173310189.db2.gz RCJFPBKAVNJHOS-UHFFFAOYSA-N 0 0 247.244 2.991 50 0 BFAARN CNC(=O)c1sccc1-c1ccccc1 ZINC000005424232 173314769 /nfs/dbraw/zinc/31/47/69/173314769.db2.gz GGCQYIZPPMCGSZ-UHFFFAOYSA-N 0 0 217.293 2.775 50 0 BFAARN CNC(=O)c1oc2c(c1C)c(C)ccc2C ZINC000048963155 173314817 /nfs/dbraw/zinc/31/48/17/173314817.db2.gz DPTWJQCJZPFXOW-UHFFFAOYSA-N 0 0 217.268 2.718 50 0 BFAARN CNc1ccccc1C(=O)NCc1cccs1 ZINC000000150994 173482306 /nfs/dbraw/zinc/48/23/06/173482306.db2.gz OSMOQCRFVZMYQJ-UHFFFAOYSA-N 0 0 246.335 2.720 50 0 BFAARN COC(=O)/C=C\c1ccc(C(F)(F)F)cc1 ZINC000087493400 173498082 /nfs/dbraw/zinc/49/80/82/173498082.db2.gz YUEFITCWDISQAO-DAXSKMNVSA-N 0 0 230.185 2.892 50 0 BFAARN COC(=O)Cc1cccc2ccccc21 ZINC000000388083 173642547 /nfs/dbraw/zinc/64/25/47/173642547.db2.gz YGGXZTQSGNFKPJ-UHFFFAOYSA-N 0 0 200.237 2.555 50 0 BFAARN COC(=O)c1cc(/C=C/c2ccccc2)c[nH]1 ZINC000071278735 173847993 /nfs/dbraw/zinc/84/79/93/173847993.db2.gz LFQBDWSCWWBLHM-BQYQJAHWSA-N 0 0 227.263 2.972 50 0 BFAARN COC(=O)c1cc(-c2ccccc2)nc(Cl)n1 ZINC000032104149 173848263 /nfs/dbraw/zinc/84/82/63/173848263.db2.gz FDXAJRMNGMLVLJ-UHFFFAOYSA-N 0 0 248.669 2.584 50 0 BFAARN COC(=O)c1cc(Cl)cc(Cl)c1 ZINC000000124765 173857399 /nfs/dbraw/zinc/85/73/99/173857399.db2.gz BTEVDFJXGLQUDS-UHFFFAOYSA-N 0 0 205.040 2.780 50 0 BFAARN COC(=O)c1cc2c(cncc2Cl)s1 ZINC000066349003 173863031 /nfs/dbraw/zinc/86/30/31/173863031.db2.gz RKEMSSHLFNIVCV-UHFFFAOYSA-N 0 0 227.672 2.736 50 0 BFAARN COC(=O)c1ccc(-n2c(C)ccc2C)s1 ZINC000012981313 173865610 /nfs/dbraw/zinc/86/56/10/173865610.db2.gz MOSNVAPCYVBPPH-UHFFFAOYSA-N 0 0 235.308 2.942 50 0 BFAARN COC(=O)c1occc1CSc1ccccn1 ZINC000040024276 173922090 /nfs/dbraw/zinc/92/20/90/173922090.db2.gz ITUIINLTUPQZSA-UHFFFAOYSA-N 0 0 249.291 2.754 50 0 BFAARN COCC(=O)N(c1ccccc1)C1CCCC1 ZINC000071888876 174039685 /nfs/dbraw/zinc/03/96/85/174039685.db2.gz KMRNIVPZTJOCSQ-UHFFFAOYSA-N 0 0 233.311 2.609 50 0 BFAARN COCC(=O)Nc1ccccc1-c1ccccc1 ZINC000000458194 174059398 /nfs/dbraw/zinc/05/93/98/174059398.db2.gz COZHUIYQMKYQFQ-UHFFFAOYSA-N 0 0 241.290 2.939 50 0 BFAARN COCCC(C)(C)NC(=O)[C@@H](C)c1ccccc1 ZINC000338865875 174146784 /nfs/dbraw/zinc/14/67/84/174146784.db2.gz PIAHBPOOTCWMQG-LBPRGKRZSA-N 0 0 249.354 2.721 50 0 BFAARN COCCCCC(=O)NC/C=C\c1ccccc1 ZINC000104134263 174171297 /nfs/dbraw/zinc/17/12/97/174171297.db2.gz WPVLXNVFQSEIDO-YFHOEESVSA-N 0 0 247.338 2.633 50 0 BFAARN COCCCNc1ccc(C(F)(F)F)cn1 ZINC000020638280 174251725 /nfs/dbraw/zinc/25/17/25/174251725.db2.gz VZHLAGPPUWDJDR-UHFFFAOYSA-N 0 0 234.221 2.549 50 0 BFAARN COCCCOc1cccc(Br)c1 ZINC000037506377 174257116 /nfs/dbraw/zinc/25/71/16/174257116.db2.gz GPOIMWAUHQDVLX-UHFFFAOYSA-N 0 0 245.116 2.864 50 0 BFAARN COCCN(Cc1ccccc1)C(=O)C=C(C)C ZINC000041953719 174299316 /nfs/dbraw/zinc/29/93/16/174299316.db2.gz UREPECXEBRSXIE-UHFFFAOYSA-N 0 0 247.338 2.628 50 0 BFAARN COCCOCc1ccc(Br)cc1 ZINC000049600974 174364380 /nfs/dbraw/zinc/36/43/80/174364380.db2.gz LGSRXJSBIBWDHR-UHFFFAOYSA-N 0 0 245.116 2.612 50 0 BFAARN COCCOCc1cccc(Br)c1 ZINC000049600978 174364718 /nfs/dbraw/zinc/36/47/18/174364718.db2.gz QKVCPDALWVZRAH-UHFFFAOYSA-N 0 0 245.116 2.612 50 0 BFAARN COCCSc1ccnc2ccccc21 ZINC000068053805 174377108 /nfs/dbraw/zinc/37/71/08/174377108.db2.gz HURSLIVSLPSUTE-UHFFFAOYSA-N 0 0 219.309 2.973 50 0 BFAARN COCCSc1ncnc2cccc(F)c21 ZINC000089420249 174378224 /nfs/dbraw/zinc/37/82/24/174378224.db2.gz YUFLDKUUYANNFX-UHFFFAOYSA-N 0 0 238.287 2.507 50 0 BFAARN COCC[C@@H](C)Nc1cccc(N(C)C)c1C ZINC000097095493 174386333 /nfs/dbraw/zinc/38/63/33/174386333.db2.gz OWVKMSFWMRURKN-LLVKDONJSA-N 0 0 236.359 2.898 50 0 BFAARN COCCn1c2ccccc2nc1C(F)(F)F ZINC000016684872 174428228 /nfs/dbraw/zinc/42/82/28/174428228.db2.gz XAOLVBAPGMJGMT-UHFFFAOYSA-N 0 0 244.216 2.702 50 0 BFAARN COC[C@@H](C)OC(=O)c1ccc(Cl)s1 ZINC000071905102 174463802 /nfs/dbraw/zinc/46/38/02/174463802.db2.gz UAZCYUNPEAAQAN-ZCFIWIBFSA-N 0 0 234.704 2.593 50 0 BFAARN COC[C@H](C)Nc1cccc(SC)c1 ZINC000053171945 174553719 /nfs/dbraw/zinc/55/37/19/174553719.db2.gz XJTOFQGBLXBHDI-VIFPVBQESA-N 0 0 211.330 2.855 50 0 BFAARN COP(=O)(Nc1ccc(C)cc1)OC ZINC000006070928 174670203 /nfs/dbraw/zinc/67/02/03/174670203.db2.gz FOCQRYILYZJBSX-UHFFFAOYSA-N 0 0 215.189 2.808 50 0 BFAARN CO[C@@H]1c2ccccc2C(=O)N1CCC(C)C ZINC000020123855 174786682 /nfs/dbraw/zinc/78/66/82/174786682.db2.gz VPTINPVSCPBKPX-CQSZACIVSA-N 0 0 233.311 2.834 50 0 BFAARN COc1c(C)cccc1C(=O)Nc1nccs1 ZINC000000062947 174925155 /nfs/dbraw/zinc/92/51/55/174925155.db2.gz SSVODCKUPZTCRC-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 BFAARN COc1c(C=O)cc(F)c2ccccc21 ZINC000039118085 174926976 /nfs/dbraw/zinc/92/69/76/174926976.db2.gz LGVVDIVKCOECIV-UHFFFAOYSA-N 0 0 204.200 2.800 50 0 BFAARN COc1cc(C(=O)Nc2ccccc2)ccc1N ZINC000002566117 174948846 /nfs/dbraw/zinc/94/88/46/174948846.db2.gz QIRMSRRCGFUJSW-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1cc(Cl)c(C=O)c(Cl)c1OC ZINC000002563913 174988466 /nfs/dbraw/zinc/98/84/66/174988466.db2.gz FIHJBVMZUXYWLE-UHFFFAOYSA-N 0 0 235.066 2.823 50 0 BFAARN COc1cc(Cl)c(OC)c2sc(N)nc21 ZINC000017164120 174989072 /nfs/dbraw/zinc/98/90/72/174989072.db2.gz ZLHNOONVBJQEDA-UHFFFAOYSA-N 0 0 244.703 2.549 50 0 BFAARN COc1cc(NC(=O)c2ccoc2)ccc1F ZINC000189464467 175000260 /nfs/dbraw/zinc/00/02/60/175000260.db2.gz MCAACMHVGQKOLJ-UHFFFAOYSA-N 0 0 235.214 2.680 50 0 BFAARN COc1cc(NCC(C)C)cc(OC)c1 ZINC000019909423 175001773 /nfs/dbraw/zinc/00/17/73/175001773.db2.gz JIQDQNWLSWFJSQ-UHFFFAOYSA-N 0 0 209.289 2.772 50 0 BFAARN COc1cc(OC)c(Cl)c(N)c1Cl ZINC000094568764 175007107 /nfs/dbraw/zinc/00/71/07/175007107.db2.gz LCQFHEIDCMPNAN-UHFFFAOYSA-N 0 0 222.071 2.593 50 0 BFAARN COc1cc2c(cc1OC)C(C(C)C)=NCC2 ZINC000000087634 175024660 /nfs/dbraw/zinc/02/46/60/175024660.db2.gz IIAJULAFFLVAGQ-UHFFFAOYSA-N 0 0 233.311 2.705 50 0 BFAARN COc1cc2nc(C)nc(Cl)c2cc1OC ZINC000038540019 175028514 /nfs/dbraw/zinc/02/85/14/175028514.db2.gz VHTOWTBCVHATEY-UHFFFAOYSA-N 0 0 238.674 2.609 50 0 BFAARN COc1ccc(-c2ccc(N)cc2)c(OC)c1 ZINC000002528998 175033684 /nfs/dbraw/zinc/03/36/84/175033684.db2.gz LLTSZYXEIOVGIH-UHFFFAOYSA-N 0 0 229.279 2.953 50 0 BFAARN COc1ccc(-c2ccnc3cc(C)nn32)cc1 ZINC000002788122 175036274 /nfs/dbraw/zinc/03/62/74/175036274.db2.gz OEHHPYZFUUDZTC-UHFFFAOYSA-N 0 0 239.278 2.713 50 0 BFAARN COc1ccc(-c2cnc(N)s2)c(F)c1 ZINC000019798695 175036499 /nfs/dbraw/zinc/03/64/99/175036499.db2.gz SOICKBCRSNQRSJ-UHFFFAOYSA-N 0 0 224.260 2.540 50 0 BFAARN COc1ccc(-c2nc3n(c2C)CCC3)cc1 ZINC000000245532 175040406 /nfs/dbraw/zinc/04/04/06/175040406.db2.gz IMCMGOVWBGZPAE-UHFFFAOYSA-N 0 0 228.295 2.813 50 0 BFAARN COc1ccc(-c2ncccc2C=O)cc1 ZINC000003883632 175040737 /nfs/dbraw/zinc/04/07/37/175040737.db2.gz WMJFIXDFODEDNR-UHFFFAOYSA-N 0 0 213.236 2.570 50 0 BFAARN COc1ccc(-n2cc[nH]c2=S)c(OC)c1 ZINC000026422928 175043722 /nfs/dbraw/zinc/04/37/22/175043722.db2.gz GCYUEVBISPYASS-UHFFFAOYSA-N 0 0 236.296 2.552 50 0 BFAARN COc1ccc(/C=C/C(=O)NC(C)(C)C)cc1 ZINC000000028315 175046128 /nfs/dbraw/zinc/04/61/28/175046128.db2.gz WHXVHDCAWJBNOC-JXMROGBWSA-N 0 0 233.311 2.623 50 0 BFAARN COc1ccc(/C=C\C(=O)NC(C)(C)C)cc1 ZINC000032313321 175047999 /nfs/dbraw/zinc/04/79/99/175047999.db2.gz WHXVHDCAWJBNOC-YFHOEESVSA-N 0 0 233.311 2.623 50 0 BFAARN COc1ccc(C(=O)C(F)(F)F)cc1F ZINC000004255948 175052682 /nfs/dbraw/zinc/05/26/82/175052682.db2.gz KCKNISJJNZGMMP-UHFFFAOYSA-N 0 0 222.137 2.579 50 0 BFAARN COc1ccc(C(=O)CC(F)(F)F)cc1 ZINC000034566359 175054046 /nfs/dbraw/zinc/05/40/46/175054046.db2.gz GOFCPSIUECQOSH-UHFFFAOYSA-N 0 0 218.174 2.830 50 0 BFAARN COc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000000029152 175055804 /nfs/dbraw/zinc/05/58/04/175055804.db2.gz VUAQWLKBOXJFKX-UHFFFAOYSA-N 0 0 233.311 2.567 50 0 BFAARN COc1ccc(C(=O)N2CCC[C@H](C)C2)cc1 ZINC000000029243 175057356 /nfs/dbraw/zinc/05/73/56/175057356.db2.gz KNMLGRITKHIXLO-NSHDSACASA-N 0 0 233.311 2.567 50 0 BFAARN COc1ccc(C(=O)NCC(C)C)cc1Cl ZINC000001074211 175059172 /nfs/dbraw/zinc/05/91/72/175059172.db2.gz PUVWTLXTKYUSEB-UHFFFAOYSA-N 0 0 241.718 2.734 50 0 BFAARN COc1ccc(C(=O)NCc2cccs2)cc1 ZINC000001730319 175061448 /nfs/dbraw/zinc/06/14/48/175061448.db2.gz HWVOHZJTRWCVSC-UHFFFAOYSA-N 0 0 247.319 2.687 50 0 BFAARN COc1ccc(C(=O)Nc2cccnc2C)cc1 ZINC000098016016 175063686 /nfs/dbraw/zinc/06/36/86/175063686.db2.gz OHVHAPOHAULQCU-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(C(C)=O)c(C(F)(F)F)c1 ZINC000002572878 175067994 /nfs/dbraw/zinc/06/79/94/175067994.db2.gz RSUCOEPTFURXML-UHFFFAOYSA-N 0 0 218.174 2.917 50 0 BFAARN COc1ccc(C(C)=O)cc1Br ZINC000000105308 175068616 /nfs/dbraw/zinc/06/86/16/175068616.db2.gz JYPGOBDETCKKKV-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN COc1ccc(C)cc1-c1csc(N)n1 ZINC000003888873 175071995 /nfs/dbraw/zinc/07/19/95/175071995.db2.gz UTMKXDHPVOTHOD-UHFFFAOYSA-N 0 0 220.297 2.709 50 0 BFAARN COc1ccc(C)cc1NC(=O)Nc1ccon1 ZINC000005041518 175077675 /nfs/dbraw/zinc/07/76/75/175077675.db2.gz VCLZMXYZXWFULU-UHFFFAOYSA-N 0 0 247.254 2.636 50 0 BFAARN COc1ccc(C)cc1NC(=O)NC(C)C ZINC000000397980 175078046 /nfs/dbraw/zinc/07/80/46/175078046.db2.gz MNEUBMOOEJLKII-UHFFFAOYSA-N 0 0 222.288 2.534 50 0 BFAARN COc1ccc(C)cc1NC(=O)[C@H]1C[C@H]1C ZINC000005701533 175078061 /nfs/dbraw/zinc/07/80/61/175078061.db2.gz CPKOFABARXXKLF-ZJUUUORDSA-N 0 0 219.284 2.598 50 0 BFAARN COc1ccc(C2=C(C)SC3=NCCN32)cc1 ZINC000000495636 175084109 /nfs/dbraw/zinc/08/41/09/175084109.db2.gz CWQACXNNMRFCNM-UHFFFAOYSA-N 0 0 246.335 2.802 50 0 BFAARN COc1ccc(C2(CNC(C)=O)CCCC2)cc1 ZINC000038593474 175084595 /nfs/dbraw/zinc/08/45/95/175084595.db2.gz WBIMYAVBZODNMP-UHFFFAOYSA-N 0 0 247.338 2.643 50 0 BFAARN COc1ccc(C=O)c(C(F)(F)F)c1 ZINC000002572880 175086066 /nfs/dbraw/zinc/08/60/66/175086066.db2.gz BVPVUMRIGHMFNV-UHFFFAOYSA-N 0 0 204.147 2.527 50 0 BFAARN COc1ccc(CO)c(OCc2ccccc2)c1 ZINC000040566681 175113613 /nfs/dbraw/zinc/11/36/13/175113613.db2.gz BYCLDWGQVPKNON-UHFFFAOYSA-N 0 0 244.290 2.767 50 0 BFAARN COc1ccc(Cl)cc1-c1c(C)[nH]nc1N ZINC000036936157 175119666 /nfs/dbraw/zinc/11/96/66/175119666.db2.gz IKTSGJOBJHIWER-UHFFFAOYSA-N 0 0 237.690 2.629 50 0 BFAARN COc1ccc(Cl)cc1[C@H](O)C(F)(F)F ZINC000008324323 175123029 /nfs/dbraw/zinc/12/30/29/175123029.db2.gz HIXYZNAEMJPIPE-QMMMGPOBSA-N 0 0 240.608 2.944 50 0 BFAARN COc1ccc(NC(=O)CCn2cccc2)cc1 ZINC000020436460 175141965 /nfs/dbraw/zinc/14/19/65/175141965.db2.gz WZXOVWAWCFKORW-UHFFFAOYSA-N 0 0 244.294 2.526 50 0 BFAARN COc1ccc(NC(=O)[C@H]2CC=CCC2)c(C)n1 ZINC000098019338 175146715 /nfs/dbraw/zinc/14/67/15/175146715.db2.gz VBBAPFGXWJBBJS-NSHDSACASA-N 0 0 246.310 2.693 50 0 BFAARN COc1ccc(NC(=S)c2ccncc2)cc1 ZINC000000310176 175148603 /nfs/dbraw/zinc/14/86/03/175148603.db2.gz MFTQVGDCDPWPGZ-UHFFFAOYSA-N 0 0 244.319 2.878 50 0 BFAARN COc1ccc(NCCCCCO)cc1Cl ZINC000049831582 175150719 /nfs/dbraw/zinc/15/07/19/175150719.db2.gz SCCPWCLBKWEQTM-UHFFFAOYSA-N 0 0 243.734 2.923 50 0 BFAARN COc1ccc(NCc2ccco2)cc1 ZINC000000300140 175152471 /nfs/dbraw/zinc/15/24/71/175152471.db2.gz XOLWFGQYSFKMFU-UHFFFAOYSA-N 0 0 203.241 2.900 50 0 BFAARN COc1ccc(N=c2nc(N)ss2)cc1 ZINC000004087922 175156583 /nfs/dbraw/zinc/15/65/83/175156583.db2.gz KIDFLJAJULSCHD-UHFFFAOYSA-N 0 0 240.333 2.820 50 0 BFAARN COc1ccc(OC(=O)c2cccs2)cc1 ZINC000000477393 175163105 /nfs/dbraw/zinc/16/31/05/175163105.db2.gz CIJQJYGRBZJGTF-UHFFFAOYSA-N 0 0 234.276 2.976 50 0 BFAARN COc1ccc(OC)c(-c2ccc(C=O)cn2)c1 ZINC000002527589 175163660 /nfs/dbraw/zinc/16/36/60/175163660.db2.gz KBANKAHOVCBWLE-UHFFFAOYSA-N 0 0 243.262 2.578 50 0 BFAARN COc1ccc(OC)c([C@H]2CCCC[C@@H]2O)c1 ZINC000001715775 175168973 /nfs/dbraw/zinc/16/89/73/175168973.db2.gz IPBLFABLABBHLF-YPMHNXCESA-N 0 0 236.311 2.722 50 0 BFAARN COc1ccc(OC)c2c(C)ccnc12 ZINC000013223275 175169586 /nfs/dbraw/zinc/16/95/86/175169586.db2.gz NTCXGWIDEYATBA-UHFFFAOYSA-N 0 0 203.241 2.560 50 0 BFAARN COc1ccc(OC)c2c1C1C=CC2(OC)C=C1 ZINC000252485948 175170517 /nfs/dbraw/zinc/17/05/17/175170517.db2.gz HFPZDJGGTQYGSO-UHFFFAOYSA-N 0 0 244.290 2.769 50 0 BFAARN COc1ccc(Oc2nc(C)cc(C)n2)cc1 ZINC000000950324 175173526 /nfs/dbraw/zinc/17/35/26/175173526.db2.gz ZDAQXVOOLXUHBR-UHFFFAOYSA-N 0 0 230.267 2.894 50 0 BFAARN COc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000000400073 175174657 /nfs/dbraw/zinc/17/46/57/175174657.db2.gz KXUNNMWAIMNUPH-UHFFFAOYSA-N 0 0 248.303 2.528 50 0 BFAARN COc1ccc([C@@H](O)Cc2ccccc2)cc1 ZINC000000402303 175181266 /nfs/dbraw/zinc/18/12/66/175181266.db2.gz LZGPSZXEKATVDE-HNNXBMFYSA-N 0 0 228.291 2.971 50 0 BFAARN COc1ccc([C@H](C)O)cc1Br ZINC000012506484 175190363 /nfs/dbraw/zinc/19/03/63/175190363.db2.gz KQHQGTDOJDHQGX-LURJTMIESA-N 0 0 231.089 2.511 50 0 BFAARN COc1ccc([S@@](=O)CC2CCCC2)cc1 ZINC000097033800 175201230 /nfs/dbraw/zinc/20/12/30/175201230.db2.gz LWCAJVKTTNVMAR-MRXNPFEDSA-N 0 0 238.352 2.993 50 0 BFAARN COc1ccc2c(c1)CCc1cnc(Cl)nc1-2 ZINC000040449727 175210128 /nfs/dbraw/zinc/21/01/28/175210128.db2.gz URHGVDHGNXTTRB-UHFFFAOYSA-N 0 0 246.697 2.904 50 0 BFAARN COc1ccc2c3c(c(=O)oc2c1C)CCCC3 ZINC000002955979 175223479 /nfs/dbraw/zinc/22/34/79/175223479.db2.gz MAHBHIQURCODGJ-UHFFFAOYSA-N 0 0 244.290 2.989 50 0 biogenic BFAARN COc1cccc(-c2ccc(=S)[nH]n2)c1 ZINC000041231202 175233824 /nfs/dbraw/zinc/23/38/24/175233824.db2.gz BRKHZIOGLJREBR-UHFFFAOYSA-N 0 0 218.281 2.815 50 0 BFAARN COc1cccc(-c2cc[nH]c(=S)n2)c1 ZINC000038701069 175234672 /nfs/dbraw/zinc/23/46/72/175234672.db2.gz QACKUABBDLRVIE-UHFFFAOYSA-N 0 0 218.281 2.815 50 0 BFAARN COc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000000030011 175243104 /nfs/dbraw/zinc/24/31/04/175243104.db2.gz WEWQWPBVOOSUPN-UHFFFAOYSA-N 0 0 241.290 2.972 50 0 BFAARN COc1cccc(C(=O)NCc2ccccc2)c1 ZINC000000290311 175245769 /nfs/dbraw/zinc/24/57/69/175245769.db2.gz GIDKNTONPHNFRB-UHFFFAOYSA-N 0 0 241.290 2.625 50 0 BFAARN COc1cccc(C=O)c1OC1CCCC1 ZINC000004511167 175249178 /nfs/dbraw/zinc/24/91/78/175249178.db2.gz KVYXIZHHZDPYQE-UHFFFAOYSA-N 0 0 220.268 2.829 50 0 BFAARN C=CC(=O)N1CCc2sccc2[C@H]1CC ZINC000037831235 487630402 /nfs/dbraw/zinc/63/04/02/487630402.db2.gz LBGDCXIUFNWKTA-SNVBAGLBSA-N 0 0 221.325 2.770 50 0 BFAARN COc1cccc(CNc2cccnc2)c1OC ZINC000019884484 175269216 /nfs/dbraw/zinc/26/92/16/175269216.db2.gz RWJWFPOAKAFOLE-UHFFFAOYSA-N 0 0 244.294 2.711 50 0 BFAARN COc1cccc(NC(=O)NC2CCCC2)c1 ZINC000006742186 175276357 /nfs/dbraw/zinc/27/63/57/175276357.db2.gz TZGMIKPKIBTIEU-UHFFFAOYSA-N 0 0 234.299 2.759 50 0 BFAARN COc1cccc(NC(=O)Cc2ccccc2)c1 ZINC000000298968 175276408 /nfs/dbraw/zinc/27/64/08/175276408.db2.gz XTRFKRQPUNYSMZ-UHFFFAOYSA-N 0 0 241.290 2.876 50 0 BFAARN COc1cccc(NC(=O)NCc2ccco2)c1 ZINC000000395361 175276505 /nfs/dbraw/zinc/27/65/05/175276505.db2.gz CTODOVGZXXIDOP-UHFFFAOYSA-N 0 0 246.266 2.610 50 0 BFAARN COc1cccc(NC(=O)OC(C)C)c1 ZINC000000395369 175277389 /nfs/dbraw/zinc/27/73/89/175277389.db2.gz RYNZNNRQNXTQDO-UHFFFAOYSA-N 0 0 209.245 2.652 50 0 BFAARN COc1cccc(NC(=O)Nc2ccccn2)c1 ZINC000006715645 175277393 /nfs/dbraw/zinc/27/73/93/175277393.db2.gz DARWQRFLVPCMGX-UHFFFAOYSA-N 0 0 243.266 2.734 50 0 BFAARN COc1cccc(NC(=O)Nc2ccncc2)c1 ZINC000006700017 175277653 /nfs/dbraw/zinc/27/76/53/175277653.db2.gz HLGMGXVMXHNLPE-UHFFFAOYSA-N 0 0 243.266 2.734 50 0 BFAARN COc1cccc(NC(=O)c2scnc2C)c1 ZINC000040529113 175278535 /nfs/dbraw/zinc/27/85/35/175278535.db2.gz GMLHXCOUOBWZCC-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 BFAARN COc1cccc(NC2N=NC(=S)S2)c1 ZINC000005687672 175281123 /nfs/dbraw/zinc/28/11/23/175281123.db2.gz ONDKHRAMZDCFFC-UHFFFAOYSA-N 0 0 239.325 2.579 50 0 BFAARN COc1cccc(OCCn2cnc(C)c2C)c1 ZINC000095433782 175283665 /nfs/dbraw/zinc/28/36/65/175283665.db2.gz BJPASJRTCZBTHV-UHFFFAOYSA-N 0 0 246.310 2.588 50 0 BFAARN COc1cccc(Oc2ccc(O)cn2)c1 ZINC000261494220 175284880 /nfs/dbraw/zinc/28/48/80/175284880.db2.gz SCBXEBNOKLSKHP-UHFFFAOYSA-N 0 0 217.224 2.588 50 0 BFAARN COc1cccc(Oc2cccnc2)c1 ZINC000027103595 175285158 /nfs/dbraw/zinc/28/51/58/175285158.db2.gz JUGNWSFUTYKWTO-UHFFFAOYSA-N 0 0 201.225 2.883 50 0 BFAARN COc1cccc([C@H]2CCCC[C@@H]2O)c1OC ZINC000012371646 175295531 /nfs/dbraw/zinc/29/55/31/175295531.db2.gz XJDQMUVUAKSPLF-PWSUYJOCSA-N 0 0 236.311 2.722 50 0 BFAARN COc1cccc([C@H](O)c2cccs2)c1 ZINC000000054634 175295893 /nfs/dbraw/zinc/29/58/93/175295893.db2.gz JXTVWBSRVWXIQE-LBPRGKRZSA-N 0 0 220.293 2.838 50 0 BFAARN COc1cccc2c1-c1c(cccc1O)C2=O ZINC000000336559 175300293 /nfs/dbraw/zinc/30/02/93/175300293.db2.gz LIMLPOYHNZZCPB-UHFFFAOYSA-N 0 0 226.231 2.612 50 0 BFAARN COc1ccccc1-c1cccc(CO)c1 ZINC000004204281 175309756 /nfs/dbraw/zinc/30/97/56/175309756.db2.gz BURRRXPYBDJKJA-UHFFFAOYSA-N 0 0 214.264 2.855 50 0 BFAARN COc1ccccc1-c1ncc(C=O)s1 ZINC000019088534 175311992 /nfs/dbraw/zinc/31/19/92/175311992.db2.gz SNBBZSLDMOLYHA-UHFFFAOYSA-N 0 0 219.265 2.631 50 0 BFAARN COc1ccccc1-n1cc[nH]c1=S ZINC000026422921 175312529 /nfs/dbraw/zinc/31/25/29/175312529.db2.gz MCLBGTWTHLDXJM-UHFFFAOYSA-N 0 0 206.270 2.543 50 0 BFAARN COc1ccccc1C(=O)N(C)C1CCCC1 ZINC000032845558 175316232 /nfs/dbraw/zinc/31/62/32/175316232.db2.gz GUOUACJIQLJUPB-UHFFFAOYSA-N 0 0 233.311 2.710 50 0 BFAARN COc1ccccc1C(=O)c1ccnc(C)c1 ZINC000045038417 175320026 /nfs/dbraw/zinc/32/00/26/175320026.db2.gz GKQOUMZPECBKMT-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1ccccc1CC(=O)N1CCCCCC1 ZINC000000434631 175320655 /nfs/dbraw/zinc/32/06/55/175320655.db2.gz UIYYJIRBQPKSDY-UHFFFAOYSA-N 0 0 247.338 2.640 50 0 BFAARN COc1ccccc1CCNC(=O)CC(C)(C)C ZINC000036392819 175323185 /nfs/dbraw/zinc/32/31/85/175323185.db2.gz FXOIDAPHABZGHC-UHFFFAOYSA-N 0 0 249.354 2.790 50 0 BFAARN COc1ccccc1CNc1cncc(Cl)n1 ZINC000050107417 175331378 /nfs/dbraw/zinc/33/13/78/175331378.db2.gz ZMZUACHUWNPEOO-UHFFFAOYSA-N 0 0 249.701 2.751 50 0 BFAARN COc1ccccc1OCc1ccc(C=O)o1 ZINC000000373407 175342081 /nfs/dbraw/zinc/34/20/81/175342081.db2.gz QUDMVQWVEBNXFS-UHFFFAOYSA-N 0 0 232.235 2.680 50 0 BFAARN COc1ccccc1Oc1ccncc1 ZINC000034760348 175342971 /nfs/dbraw/zinc/34/29/71/175342971.db2.gz MDSGMVBCWGLRHA-UHFFFAOYSA-N 0 0 201.225 2.883 50 0 BFAARN COc1cncc(-c2ncnc3sccc32)c1 ZINC000032537267 175382646 /nfs/dbraw/zinc/38/26/46/175382646.db2.gz IQWWIOWNCQFWKY-UHFFFAOYSA-N 0 0 243.291 2.762 50 0 BFAARN COc1ncc(-c2ccc(Cl)cc2)cn1 ZINC000006849965 175397371 /nfs/dbraw/zinc/39/73/71/175397371.db2.gz NZDVLOVMSQNWJZ-UHFFFAOYSA-N 0 0 220.659 2.806 50 0 BFAARN CSCC(=O)Nc1cccc(Cl)c1C ZINC000012979217 175462737 /nfs/dbraw/zinc/46/27/37/175462737.db2.gz MGPDECVCSAGKIU-UHFFFAOYSA-N 0 0 229.732 2.950 50 0 BFAARN CSC[C@H](C)NC(=O)N1CCC[C@H](C)[C@H]1C ZINC000097010493 175522324 /nfs/dbraw/zinc/52/23/24/175522324.db2.gz SFFGAUOYWMKFIS-GARJFASQSA-N 0 0 244.404 2.568 50 0 BFAARN CSCc1ccc(C(=O)N2CCCC2)cc1 ZINC000012988006 175531050 /nfs/dbraw/zinc/53/10/50/175531050.db2.gz MVXAAXFCFOVYBO-UHFFFAOYSA-N 0 0 235.352 2.786 50 0 BFAARN CS[C@@H](C)CC(=O)N1CCC2(CCC2)C1 ZINC000170590910 175537798 /nfs/dbraw/zinc/53/77/98/175537798.db2.gz OJFQOVLSKFMKSZ-JTQLQIEISA-N 0 0 227.373 2.531 50 0 BFAARN CSc1ccc(NC(=O)NCC2CC2)cc1 ZINC000043857695 175576974 /nfs/dbraw/zinc/57/69/74/175576974.db2.gz AISGKHCXOMCTPZ-UHFFFAOYSA-N 0 0 236.340 2.940 50 0 BFAARN CSc1nnc(Cc2ccccc2F)o1 ZINC000067954497 175591824 /nfs/dbraw/zinc/59/18/24/175591824.db2.gz VWNLKIYCDPLGEO-UHFFFAOYSA-N 0 0 224.260 2.521 50 0 BFAARN C[C@@H](NC(=O)Nc1ccc(F)cc1F)C1CC1 ZINC000008728707 175841067 /nfs/dbraw/zinc/84/10/67/175841067.db2.gz WNXOUANCFKZCOM-SSDOTTSWSA-N 0 0 240.253 2.885 50 0 BFAARN C[C@@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000000241580 175851028 /nfs/dbraw/zinc/85/10/28/175851028.db2.gz OMMUQWMOPGBNGO-LLVKDONJSA-N 0 0 226.279 2.573 50 0 BFAARN C[C@@H](NC(=O)c1cnc[nH]1)c1ccc(Cl)cc1 ZINC000069775918 175852556 /nfs/dbraw/zinc/85/25/56/175852556.db2.gz OBICEECTMJTECW-MRVPVSSYSA-N 0 0 249.701 2.554 50 0 BFAARN C[C@@H](O)c1ccccc1Br ZINC000000389511 176000243 /nfs/dbraw/zinc/00/02/43/176000243.db2.gz DZLZSFZSPIUINR-ZCFIWIBFSA-N 0 0 201.063 2.502 50 0 BFAARN C[C@@H](Oc1ccccc1)C(=O)NC1CCCC1 ZINC000000030507 176005525 /nfs/dbraw/zinc/00/55/25/176005525.db2.gz RAKABVUUUXKNDS-LLVKDONJSA-N 0 0 233.311 2.513 50 0 BFAARN C[C@@H](Sc1ccccc1)C(=O)N1CCCC1 ZINC000001570402 176009704 /nfs/dbraw/zinc/00/97/04/176009704.db2.gz JMSFUSPWTBSARP-LLVKDONJSA-N 0 0 235.352 2.790 50 0 BFAARN C[C@@H](c1ccccc1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC000032721763 176019275 /nfs/dbraw/zinc/01/92/75/176019275.db2.gz SAGUQTRUDGVERG-NTZNESFSSA-N 0 0 217.312 2.862 50 0 BFAARN C[C@@H](c1ccccc1)N1CCC(=O)C[C@H]1C ZINC000033945396 176020518 /nfs/dbraw/zinc/02/05/18/176020518.db2.gz XOGIRAQPVLKDBV-NEPJUHHUSA-N 0 0 217.312 2.801 50 0 BFAARN C[C@@H](c1nnc(-c2cccs2)o1)N1CCCC1 ZINC000069369647 176039633 /nfs/dbraw/zinc/03/96/33/176039633.db2.gz OFGYISGUABSOCC-VIFPVBQESA-N 0 0 249.339 2.955 50 0 BFAARN C[C@@H]1CC(C)(C)N2C(=O)C(=O)c3cc(F)cc1c32 ZINC000253495907 176052728 /nfs/dbraw/zinc/05/27/28/176052728.db2.gz VHPJWBSXCPEYMH-SSDOTTSWSA-N 0 0 247.269 2.641 50 0 BFAARN C[C@@H]1CCCCN1C(=O)CCc1ccco1 ZINC000041952069 176066359 /nfs/dbraw/zinc/06/63/59/176066359.db2.gz TXZRJKWFXTYLPD-LLVKDONJSA-N 0 0 221.300 2.613 50 0 BFAARN C[C@@H]1CCCCN1C(=O)NCc1ccccc1 ZINC000012891867 176068133 /nfs/dbraw/zinc/06/81/33/176068133.db2.gz FVHGZQNBQYFYCZ-GFCCVEGCSA-N 0 0 232.327 2.771 50 0 BFAARN C[C@@H]1CCCCN1C(=O)c1ccc(Cl)nc1 ZINC000001472287 176069643 /nfs/dbraw/zinc/06/96/43/176069643.db2.gz XCBFDGHHGVSHQB-SECBINFHSA-N 0 0 238.718 2.750 50 0 BFAARN C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000047474186 176073303 /nfs/dbraw/zinc/07/33/03/176073303.db2.gz HOPDZUOXNPWGEI-SECBINFHSA-N 0 0 239.340 2.821 50 0 BFAARN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccoc1 ZINC000032787800 176077816 /nfs/dbraw/zinc/07/78/16/176077816.db2.gz ZVAFQZJUJIITQD-PWSUYJOCSA-N 0 0 221.300 2.930 50 0 BFAARN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccncc1 ZINC000032787691 176085440 /nfs/dbraw/zinc/08/54/40/176085440.db2.gz AKYARILXZCLJMB-DGCLKSJQSA-N 0 0 232.327 2.732 50 0 BFAARN C[C@@H]1CCCC[C@H]1NC(=O)Nc1nccs1 ZINC000042738134 176087277 /nfs/dbraw/zinc/08/72/77/176087277.db2.gz NCQOCTSLTFRBEN-RKDXNWHRSA-N 0 0 239.344 2.843 50 0 BFAARN C[C@@H]1CCCN(C(=O)/C=C\c2ccccc2)C1 ZINC000017023924 176090895 /nfs/dbraw/zinc/09/08/95/176090895.db2.gz NTENAXUBMPWURD-ASCRHOAZSA-N 0 0 229.323 2.958 50 0 BFAARN C[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000000318934 176091944 /nfs/dbraw/zinc/09/19/44/176091944.db2.gz PQIXNGWJDMFPEA-LLVKDONJSA-N 0 0 235.302 2.627 50 0 BFAARN C[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000000396444 176093671 /nfs/dbraw/zinc/09/36/71/176093671.db2.gz RCHWQDWKFWXBOY-LLVKDONJSA-N 0 0 218.300 2.950 50 0 BFAARN C[C@@H]1CCCN(c2ncncc2Cl)CC1 ZINC000097166120 176104556 /nfs/dbraw/zinc/10/45/56/176104556.db2.gz ZABKNJDCIXKHMZ-SECBINFHSA-N 0 0 225.723 2.756 50 0 BFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)/C=C/c1ccccn1 ZINC000069580600 176114870 /nfs/dbraw/zinc/11/48/70/176114870.db2.gz WSZUVDRMUVAGNK-WGVUZWOWSA-N 0 0 244.338 2.884 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC000041038981 176142995 /nfs/dbraw/zinc/14/29/95/176142995.db2.gz CQPOUINBWZXCAO-KOLCDFICSA-N 0 0 236.290 2.529 50 0 BFAARN C[C@@H]1CCc2nn3ccnc(Cl)c3c2C1 ZINC000096516367 176239876 /nfs/dbraw/zinc/23/98/76/176239876.db2.gz NRDXLWPKUQARHM-SSDOTTSWSA-N 0 0 221.691 2.508 50 0 BFAARN C[C@@H]1CN(C(=O)CCC2CCCC2)C[C@@H](C)O1 ZINC000016603368 176245241 /nfs/dbraw/zinc/24/52/41/176245241.db2.gz HDNKGZNBHFWRBK-VXGBXAGGSA-N 0 0 239.359 2.593 50 0 BFAARN C[C@@H]1CSc2nc3nc4ccccc4c-3nn21 ZINC000008844783 176356519 /nfs/dbraw/zinc/35/65/19/176356519.db2.gz GQJREHOPPSDOOB-SSDOTTSWSA-N 0 0 242.307 2.598 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000029107460 176386322 /nfs/dbraw/zinc/38/63/22/176386322.db2.gz KVIKCPVEKZRVPX-ZLDLUXBVSA-N 0 0 243.350 2.879 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)NCC2CC2)[C@H]1C ZINC000225442977 176495335 /nfs/dbraw/zinc/49/53/35/176495335.db2.gz DJSSVJKLIDNHMN-SCVCMEIPSA-N 0 0 224.348 2.520 50 0 BFAARN C[C@@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)O1 ZINC000004183919 176529001 /nfs/dbraw/zinc/52/90/01/176529001.db2.gz LMZMDLZDHKLEJD-HWMFUMESSA-N 0 0 220.312 2.908 50 0 BFAARN C[C@H](NC(=O)/C=C\c1cccc(F)c1)C1CC1 ZINC000096904811 176785129 /nfs/dbraw/zinc/78/51/29/176785129.db2.gz CMDPYFDXJATNOQ-NVDWLVSRSA-N 0 0 233.286 2.754 50 0 BFAARN C[C@H](NC(=O)Cc1cccs1)c1cccnc1 ZINC000065585435 176796352 /nfs/dbraw/zinc/79/63/52/176796352.db2.gz YIQLINHJYYQRSD-JTQLQIEISA-N 0 0 246.335 2.563 50 0 BFAARN C[C@H](NC(=O)NC1CC1)c1ccccc1Cl ZINC000012894663 176800457 /nfs/dbraw/zinc/80/04/57/176800457.db2.gz GINYPXYHLSXPBZ-QMMMGPOBSA-N 0 0 238.718 2.863 50 0 BFAARN C[C@H](NC(=O)Nc1ccccc1)c1ccncc1 ZINC000018172011 176805498 /nfs/dbraw/zinc/80/54/98/176805498.db2.gz PKWGRFWMJAFUEN-NSHDSACASA-N 0 0 241.294 2.964 50 0 BFAARN C[C@H](NC(=O)OC(C)(C)C)c1cccc(N)c1 ZINC000006732177 176806473 /nfs/dbraw/zinc/80/64/73/176806473.db2.gz QZEKBDHFLADZKW-VIFPVBQESA-N 0 0 236.315 2.855 50 0 BFAARN C[C@H](O)[C@H](C)c1nc2ccccc2s1 ZINC000063039737 177013121 /nfs/dbraw/zinc/01/31/21/177013121.db2.gz IPIQXWOAAIBYKG-YUMQZZPRSA-N 0 0 207.298 2.781 50 0 BFAARN C[C@H](O)c1cc(Br)ccc1F ZINC000040448686 177016556 /nfs/dbraw/zinc/01/65/56/177016556.db2.gz QWIJUQVYIYCHMK-YFKPBYRVSA-N 0 0 219.053 2.642 50 0 BFAARN C[C@H](OCc1ccccc1)C(=O)NC(C)(C)C ZINC000040516078 177021652 /nfs/dbraw/zinc/02/16/52/177021652.db2.gz SYWMUMLXGCNUSM-NSHDSACASA-N 0 0 235.327 2.506 50 0 BFAARN C[C@H](SCc1ccccc1)C(=O)NC1CC1 ZINC000000566366 177028016 /nfs/dbraw/zinc/02/80/16/177028016.db2.gz ILEAALLKZCMWCI-JTQLQIEISA-N 0 0 235.352 2.587 50 0 BFAARN C[C@H](Sc1ccc2ccccc2c1)C(N)=O ZINC000003382517 177029507 /nfs/dbraw/zinc/02/95/07/177029507.db2.gz OPQCJVDYMZUBMC-VIFPVBQESA-N 0 0 231.320 2.806 50 0 BFAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)C(F)F ZINC000219453157 177034032 /nfs/dbraw/zinc/03/40/32/177034032.db2.gz ZVOWMUSOQFOFEI-SSDOTTSWSA-N 0 0 231.217 2.610 50 0 BFAARN C[C@H](c1ccccc1)N1C(=O)OC(C)(C)[C@@]1(C)O ZINC000000090613 177038552 /nfs/dbraw/zinc/03/85/52/177038552.db2.gz VYPJIHOZAOLARI-QMTHXVAHSA-N 0 0 249.310 2.687 50 0 BFAARN C[C@H](c1ccccn1)N(C)Cc1ccccn1 ZINC000091990739 177042328 /nfs/dbraw/zinc/04/23/28/177042328.db2.gz MLIJUFZTDPFALN-GFCCVEGCSA-N 0 0 227.311 2.670 50 0 BFAARN C[C@H]1CC(C)(C)N2C(=O)C(=O)c3cccc1c32 ZINC000008879437 177064163 /nfs/dbraw/zinc/06/41/63/177064163.db2.gz YKDZCUAXADGLRL-QMMMGPOBSA-N 0 0 229.279 2.502 50 0 biogenic BFAARN C[C@H]1CCCCCN1C(=O)c1cccc(N)c1 ZINC000070407718 177069843 /nfs/dbraw/zinc/06/98/43/177069843.db2.gz LVQHWDNJBMOXJK-NSHDSACASA-N 0 0 232.327 2.674 50 0 BFAARN C[C@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC000032747823 177072650 /nfs/dbraw/zinc/07/26/50/177072650.db2.gz DFGIGHKLPCHAPB-RYUDHWBXSA-N 0 0 207.317 2.744 50 0 BFAARN C[C@H]1CCCCN1C(=O)c1ccsc1 ZINC000032731262 177074029 /nfs/dbraw/zinc/07/40/29/177074029.db2.gz PQQLYHSVKNOYDP-VIFPVBQESA-N 0 0 209.314 2.763 50 0 BFAARN C[C@H]1CCCCN1C(=O)c1cccc(F)c1F ZINC000000089595 177074312 /nfs/dbraw/zinc/07/43/12/177074312.db2.gz YBYVIPVNILNOOQ-VIFPVBQESA-N 0 0 239.265 2.979 50 0 BFAARN C[C@H]1CCCCN1C(=O)c1n[nH]c2ccccc21 ZINC000012525510 177074413 /nfs/dbraw/zinc/07/44/13/177074413.db2.gz IYOLHNHNMZPKQW-JTQLQIEISA-N 0 0 243.310 2.578 50 0 BFAARN C[C@H]1CCCCN1Cc1nc(C(C)(C)C)no1 ZINC000048341297 177077219 /nfs/dbraw/zinc/07/72/19/177077219.db2.gz DWWCIKCLIZOBKO-JTQLQIEISA-N 0 0 237.347 2.742 50 0 BFAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccco1 ZINC000000141616 177082776 /nfs/dbraw/zinc/08/27/76/177082776.db2.gz KOISEUVREFEOEJ-UWVGGRQHSA-N 0 0 207.273 2.588 50 0 BFAARN C[C@H]1CCCN(C(=O)CCc2cccs2)C1 ZINC000012911254 177092333 /nfs/dbraw/zinc/09/23/33/177092333.db2.gz PMNZDCGWXLNCRF-NSHDSACASA-N 0 0 237.368 2.939 50 0 BFAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccccc1N ZINC000012341474 177115643 /nfs/dbraw/zinc/11/56/43/177115643.db2.gz ZNDUKWZNBHOKHB-PHIMTYICSA-N 0 0 232.327 2.672 50 0 BFAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(C2CC2)on1 ZINC000013363679 177116344 /nfs/dbraw/zinc/11/63/44/177116344.db2.gz NUDNIKYFPABEBH-AOOOYVTPSA-N 0 0 248.326 2.955 50 0 BFAARN C[C@H]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC000000406291 177136234 /nfs/dbraw/zinc/13/62/34/177136234.db2.gz BSTHPONDLDGVEB-AAEUAGOBSA-N 0 0 217.312 2.995 50 0 BFAARN C[C@H]1CN(Cc2ccc(Cl)s2)CCO1 ZINC000054172115 177261978 /nfs/dbraw/zinc/26/19/78/177261978.db2.gz LHYSCNOKLCMHFS-QMMMGPOBSA-N 0 0 231.748 2.622 50 0 BFAARN C[C@H]1CN(Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC000019606788 177263815 /nfs/dbraw/zinc/26/38/15/177263815.db2.gz VMZLJDJODGHFPC-UWVGGRQHSA-N 0 0 241.281 2.574 50 0 BFAARN C[C@@H]1CN(Cc2ccccc2Cl)C[C@H](C)O1 ZINC000012408812 177266694 /nfs/dbraw/zinc/26/66/94/177266694.db2.gz WIZYVZWLXIGLSO-PHIMTYICSA-N 0 0 239.746 2.949 50 0 BFAARN C[C@H]1C[C@@H](O)[C@H](C(=O)c2ccccc2)[C@@H](C)C1 ZINC000299804137 177316869 /nfs/dbraw/zinc/31/68/69/177316869.db2.gz BTIYLNMXNFVODF-ZMJPVWNMSA-N 0 0 232.323 2.912 50 0 BFAARN C[C@H]1C[C@H](C)CN(C(=O)CC(C)(C)C)C1 ZINC000001456518 177356733 /nfs/dbraw/zinc/35/67/33/177356733.db2.gz FOOJLMYCTOSUCR-QWRGUYRKSA-N 0 0 211.349 2.927 50 0 BFAARN C[C@H]1C[C@H](Sc2ccccc2F)C(=O)O1 ZINC000065613105 177374430 /nfs/dbraw/zinc/37/44/30/177374430.db2.gz BXCWIZOFEGMQNH-XVKPBYJWSA-N 0 0 226.272 2.622 50 0 BFAARN C[C@H]1C[C@H]1C(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000124287964 177375047 /nfs/dbraw/zinc/37/50/47/177375047.db2.gz WAHFAXNUZGJZTJ-ROZWMTPISA-N 0 0 247.382 2.926 50 0 BFAARN C[C@H]1C[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000012979429 177375601 /nfs/dbraw/zinc/37/56/01/177375601.db2.gz AHXDZHQQWSTZBK-JOYOIKCWSA-N 0 0 237.730 2.954 50 0 BFAARN C[C@H]1C[C@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000000372121 177376167 /nfs/dbraw/zinc/37/61/67/177376167.db2.gz JLDUFFNPANUXPU-JOYOIKCWSA-N 0 0 237.730 2.655 50 0 BFAARN C[C@H]1C[C@H]1C(=O)Nc1ccc(F)c(F)c1F ZINC000015002898 177376903 /nfs/dbraw/zinc/37/69/03/177376903.db2.gz KGRUTMGZAZREQL-NTSWFWBYSA-N 0 0 229.201 2.698 50 0 BFAARN C[C@H]1C[C@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000003294710 177376922 /nfs/dbraw/zinc/37/69/22/177376922.db2.gz VJWYILXDIGYAIS-JGVFFNPUSA-N 0 0 236.340 2.616 50 0 BFAARN C[C@H](Cc1ccccc1F)NC(=O)[C@@H]1C[C@@H]1C ZINC000106829473 177376957 /nfs/dbraw/zinc/37/69/57/177376957.db2.gz ILELVXDFDGCZKN-HOSYDEDBSA-N 0 0 235.302 2.529 50 0 BFAARN C[C@H]1Cc2ccc(Br)cc2C1=O ZINC000038997815 177388597 /nfs/dbraw/zinc/38/85/97/177388597.db2.gz GMJKJIUETGRADG-LURJTMIESA-N 0 0 225.085 2.824 50 0 BFAARN C[C@@H]1[C@H]2C[C@@H](C[C@H]1n1cnnc1)C2(C)C ZINC000065375365 177436466 /nfs/dbraw/zinc/43/64/66/177436466.db2.gz NFXRQNHWRFIIFH-LMLFDSFASA-N 0 0 205.305 2.521 50 0 BFAARN C[C@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)O1 ZINC000004183918 177459139 /nfs/dbraw/zinc/45/91/39/177459139.db2.gz LMZMDLZDHKLEJD-IQFQURSWSA-N 0 0 220.312 2.908 50 0 BFAARN C[Si](C)(c1ccccc1)c1ccccc1 ZINC000169864246 177500502 /nfs/dbraw/zinc/50/05/02/177500502.db2.gz WJKVFIFBAASZJX-UHFFFAOYSA-N 0 0 212.368 2.509 50 0 BFAARN COC(=O)c1cc2cc(OC(C)C)ccc2[nH]1 ZINC000034925323 487673304 /nfs/dbraw/zinc/67/33/04/487673304.db2.gz IJFTXEWKRQOJCV-UHFFFAOYSA-N 0 0 233.267 2.742 50 0 BFAARN O=C(C[C@@H]1C=CCC1)N1CCc2sccc2C1 ZINC000032883748 487695398 /nfs/dbraw/zinc/69/53/98/487695398.db2.gz WQCSVIXNJMJPMA-LLVKDONJSA-N 0 0 247.363 2.989 50 0 BFAARN CC=CC=CC(=O)Nc1ccccc1C(C)=O ZINC000036393786 487809038 /nfs/dbraw/zinc/80/90/38/487809038.db2.gz OEIWVKNIXFBELY-COBAKMAKSA-N 0 0 229.279 2.960 50 0 BFAARN COc1ccc(CNc2ccc(C)cn2)cc1O ZINC000078564654 487857957 /nfs/dbraw/zinc/85/79/57/487857957.db2.gz FVXRSDBVBLUNDL-UHFFFAOYSA-N 0 0 244.294 2.716 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)N(C1CC1)C1CCCC1 ZINC000089920373 487884824 /nfs/dbraw/zinc/88/48/24/487884824.db2.gz PLVBODNSYBCJJQ-CABZTGNLSA-N 0 0 207.317 2.576 50 0 BFAARN Fc1cc(F)c(CNc2ncccn2)cc1F ZINC000083366668 487904518 /nfs/dbraw/zinc/90/45/18/487904518.db2.gz GNOCPERJTQUVFL-UHFFFAOYSA-N 0 0 239.200 2.506 50 0 BFAARN Fc1cc(F)c(CNc2nncs2)cc1F ZINC000083373352 487909232 /nfs/dbraw/zinc/90/92/32/487909232.db2.gz JYFDRWJAJARYRF-UHFFFAOYSA-N 0 0 245.229 2.568 50 0 BFAARN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(O)cc1 ZINC000213111245 487917774 /nfs/dbraw/zinc/91/77/74/487917774.db2.gz UHGRVKQMNJTTRU-NWDGAFQWSA-N 0 0 249.310 2.773 50 0 BFAARN C/C=C/C=C\C(=O)N[C@@H]1CCC[C@H]1SCC ZINC000254813322 322977343 /nfs/dbraw/zinc/97/73/43/322977343.db2.gz ZOZDWJYAVDBLRD-JPETUXMLSA-N 0 0 239.384 2.909 50 0 BFAARN CC(C)c1ccc(C(=O)Nc2cnccn2)s1 ZINC000097379906 322988129 /nfs/dbraw/zinc/98/81/29/322988129.db2.gz YNGUXODMJYVPMA-UHFFFAOYSA-N 0 0 247.323 2.914 50 0 BFAARN Cc1ccc2c(c1Br)C(=O)CC2 ZINC000238489542 323000468 /nfs/dbraw/zinc/00/04/68/323000468.db2.gz XHDQVHPRQPQGFU-UHFFFAOYSA-N 0 0 225.085 2.886 50 0 BFAARN Cc1oncc1CN1CCC(C(F)(F)F)CC1 ZINC000128746985 323007648 /nfs/dbraw/zinc/00/76/48/323007648.db2.gz XCLDZSABQJKFQL-UHFFFAOYSA-N 0 0 248.248 2.757 50 0 BFAARN CCc1c(C)nc(C)nc1-c1ccc(OC)nc1 ZINC000534642951 323156550 /nfs/dbraw/zinc/15/65/50/323156550.db2.gz JPODSPZNTLXKLI-UHFFFAOYSA-N 0 0 243.310 2.726 50 0 BFAARN Cc1cc(CNC(=O)c2cc(C)ccc2C)no1 ZINC000049042646 323157202 /nfs/dbraw/zinc/15/72/02/323157202.db2.gz NXIOLWXYYUZGKO-UHFFFAOYSA-N 0 0 244.294 2.530 50 0 BFAARN OCc1c[nH]c(-c2cccc(C(F)(F)F)c2)n1 ZINC000062820469 323236480 /nfs/dbraw/zinc/23/64/80/323236480.db2.gz MRDDTEMXEDQQLD-UHFFFAOYSA-N 0 0 242.200 2.588 50 0 BFAARN Clc1ccc(Cn2ccnn2)c2ncccc12 ZINC000128069224 324804512 /nfs/dbraw/zinc/80/45/12/324804512.db2.gz BXZGPSABTAIHHF-UHFFFAOYSA-N 0 0 244.685 2.528 50 0 BFAARN Fc1ccc(F)c(/C=C/c2ccncn2)c1 ZINC000157361066 326270751 /nfs/dbraw/zinc/27/07/51/326270751.db2.gz RXLGKNFQRXWPDO-HNQUOIGGSA-N 0 0 218.206 2.925 50 0 BFAARN CSc1ccc(CNc2cc[nH]n2)cc1 ZINC000083992881 487982138 /nfs/dbraw/zinc/98/21/38/487982138.db2.gz ITPZBZHRLURNDB-UHFFFAOYSA-N 0 0 219.313 2.744 50 0 BFAARN COc1cccc([C@@H](C)OC(=O)C2CC2)c1 ZINC000084656254 488077267 /nfs/dbraw/zinc/07/72/67/488077267.db2.gz LJJAJSLKWHEJAU-SECBINFHSA-N 0 0 220.268 2.709 50 0 BFAARN CCCCCCNC(=O)N1CCCSCC1 ZINC000084743131 488090405 /nfs/dbraw/zinc/09/04/05/488090405.db2.gz GNBXVYXRSADQJL-UHFFFAOYSA-N 0 0 244.404 2.715 50 0 BFAARN C=CC(=O)Nc1cccc2c1CCCC2 ZINC000036334205 488092754 /nfs/dbraw/zinc/09/27/54/488092754.db2.gz GREDXJXBMHSUAI-UHFFFAOYSA-N 0 0 201.269 2.690 50 0 BFAARN CCn1nc(C(C)C)nc1-c1ccc(C)nc1 ZINC000670439131 487488967 /nfs/dbraw/zinc/48/89/67/487488967.db2.gz XOQMDKNVWXDJCX-UHFFFAOYSA-N 0 0 230.315 2.792 50 0 BFAARN Cc1ccc(OC2CN([C@@H]3CCSC3)C2)cc1 ZINC000670449814 487501706 /nfs/dbraw/zinc/50/17/06/487501706.db2.gz DJNREQJHUGALPO-GFCCVEGCSA-N 0 0 249.379 2.564 50 0 BFAARN CCn1nc(C)nc1-c1cn(C)c2ccccc12 ZINC000670456133 487509196 /nfs/dbraw/zinc/50/91/96/487509196.db2.gz OPZPDZJWYAVDOZ-UHFFFAOYSA-N 0 0 240.310 2.765 50 0 BFAARN CC(C)c1ccc(CNn2cn[nH]c2=S)cc1 ZINC000005901992 487521802 /nfs/dbraw/zinc/52/18/02/487521802.db2.gz IRCSQYKZRHWKFE-UHFFFAOYSA-N 0 0 248.355 2.808 50 0 BFAARN Cc1ccncc1[C@H](C)N[C@@H](C)c1nccn1C ZINC000678770299 488281232 /nfs/dbraw/zinc/28/12/32/488281232.db2.gz LCTJIIZXCOPGIL-RYUDHWBXSA-N 0 0 244.342 2.535 50 0 BFAARN Cc1cc(CN(Cc2ccco2)C2CC2)on1 ZINC000045004983 490138489 /nfs/dbraw/zinc/13/84/89/490138489.db2.gz VMLUNTIEGRKODL-UHFFFAOYSA-N 0 0 232.283 2.741 50 0 BFAARN CCN(Cc1ccco1)C(=O)Nc1ccncc1 ZINC000048954864 490192967 /nfs/dbraw/zinc/19/29/67/490192967.db2.gz ZYPXAUIXJNDCMU-UHFFFAOYSA-N 0 0 245.282 2.729 50 0 BFAARN Nc1n[nH]c2ccc(-c3ccc(F)cc3)cc12 ZINC000136490342 491084286 /nfs/dbraw/zinc/08/42/86/491084286.db2.gz AGNMZPNKLQYVAQ-UHFFFAOYSA-N 0 0 227.242 2.951 50 0 BFAARN CCC(CC)N(C)C(=O)N[C@@H](C)C(C)C ZINC000084727511 491122420 /nfs/dbraw/zinc/12/24/20/491122420.db2.gz CCQDSBWWPXUSOK-JTQLQIEISA-N 0 0 214.353 2.861 50 0 BFAARN Cc1nccc(NC2CCC(F)(F)CC2)n1 ZINC000335600912 491124558 /nfs/dbraw/zinc/12/45/58/491124558.db2.gz WOKDRKMXJKXAFV-UHFFFAOYSA-N 0 0 227.258 2.775 50 0 BFAARN CCC[C@H]1C[C@H]1NC(=O)Nc1ccncc1F ZINC000097135948 491125421 /nfs/dbraw/zinc/12/54/21/491125421.db2.gz YXICRCWWFLHCIM-GZMMTYOYSA-N 0 0 237.278 2.531 50 0 BFAARN CC1(C)c2cccc(Br)c2NC1=O ZINC000082608024 491150305 /nfs/dbraw/zinc/15/03/05/491150305.db2.gz ZRYMHHQESIFOLE-UHFFFAOYSA-N 0 0 240.100 2.679 50 0 BFAARN C1=CN2C[C@@H](c3ccccc3)N=C2S1 ZINC000000000044 500571779 /nfs/dbraw/zinc/57/17/79/500571779.db2.gz UPMCDOMOBNMTPH-JTQLQIEISA-N 0 0 202.282 2.617 50 0 in-man BFAARN CC(=O)OCC12CC3CC(CC(C3)C1)C2 ZINC000149609882 519755316 /nfs/dbraw/zinc/75/53/16/519755316.db2.gz KKJMYDWRRJHYOE-UHFFFAOYSA-N 0 0 208.301 2.766 50 0 BFAARN CCC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1 ZINC000002856641 521055842 /nfs/dbraw/zinc/05/58/42/521055842.db2.gz XKBSFTRUJWQJAH-RYUDHWBXSA-N 0 0 235.327 2.759 50 0 BFAARN CC(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000069665882 534697816 /nfs/dbraw/zinc/69/78/16/534697816.db2.gz MEYJSDIAORPLCT-UHFFFAOYSA-N 0 0 236.290 2.774 50 0 BFAARN CN(Cc1ccco1)C(=O)CCc1ccsc1 ZINC000039975967 523424531 /nfs/dbraw/zinc/42/45/31/523424531.db2.gz PKDSNXCXOGGFQK-UHFFFAOYSA-N 0 0 249.335 2.932 50 0 BFAARN CCc1cc(Br)cc2c1NC(=O)C2 ZINC000088125809 523745220 /nfs/dbraw/zinc/74/52/20/523745220.db2.gz NXOUVURQCMNBBB-UHFFFAOYSA-N 0 0 240.100 2.506 50 0 BFAARN CC[C@H](C)C[C@H](C)NC(=O)NCc1ccncc1 ZINC000078933121 523900401 /nfs/dbraw/zinc/90/04/01/523900401.db2.gz DOKIXVPNGNBLBC-RYUDHWBXSA-N 0 0 249.358 2.706 50 0 BFAARN Cc1noc(OCc2ccccc2OC(C)C)n1 ZINC000069842938 526642863 /nfs/dbraw/zinc/64/28/63/526642863.db2.gz GCWNNXUBIDGKHY-UHFFFAOYSA-N 0 0 248.282 2.744 50 0 BFAARN CC(C)(C)c1ccccc1OCC(=O)NC1CC1 ZINC000008041424 526799734 /nfs/dbraw/zinc/79/97/34/526799734.db2.gz CMLYJCZAWBRSMY-UHFFFAOYSA-N 0 0 247.338 2.642 50 0 BFAARN CC(=O)Nc1ccc2c(c1)CN(C(C)(C)C)CO2 ZINC000000542501 527030616 /nfs/dbraw/zinc/03/06/16/527030616.db2.gz KFIGDQHRISWTCD-UHFFFAOYSA-N 0 0 248.326 2.595 50 0 BFAARN Cc1ncnc(NCCCOC2CCCC2)c1C ZINC000091416665 527462367 /nfs/dbraw/zinc/46/23/67/527462367.db2.gz PFNDHELWNCEUPJ-UHFFFAOYSA-N 0 0 249.358 2.855 50 0 BFAARN OCC/C=C\CCCCO[C@H]1CCCCO1 ZINC000034439012 527521879 /nfs/dbraw/zinc/52/18/79/527521879.db2.gz BSDWMRHTDLMCNJ-GIDQFRGBSA-N 0 0 228.332 2.639 50 0 BFAARN Nc1cnc2c(F)c(F)ccc2c1Cl ZINC000165876108 527536987 /nfs/dbraw/zinc/53/69/87/527536987.db2.gz RQKJDQYRLMUVOG-UHFFFAOYSA-N 0 0 214.602 2.749 50 0 BFAARN O[C@@H](c1cccc(Br)c1)C(F)F ZINC000087686908 527666851 /nfs/dbraw/zinc/66/68/51/527666851.db2.gz OEAKNZDZYSNZMG-ZETCQYMHSA-N 0 0 237.043 2.748 50 0 BFAARN CC(C(=O)N[C@H]1CCOC(C)(C)C1)=C1CCC1 ZINC000408519514 534967519 /nfs/dbraw/zinc/96/75/19/534967519.db2.gz MNQZFVFACNBNTE-LBPRGKRZSA-N 0 0 237.343 2.561 50 0 BFAARN CCCOCCn1cc([C@@H]2CC=CCC2)nn1 ZINC000067842247 535233467 /nfs/dbraw/zinc/23/34/67/535233467.db2.gz INKAMTUMOXBUPC-GFCCVEGCSA-N 0 0 235.331 2.528 50 0 BFAARN CCOC(=O)N1CCCc2ccccc21 ZINC000005717109 535775631 /nfs/dbraw/zinc/77/56/31/535775631.db2.gz YQBRPZBLROENTD-UHFFFAOYSA-N 0 0 205.257 2.596 50 0 BFAARN Cc1cc(-c2csc(CO)n2)c(C)s1 ZINC000075093216 537926332 /nfs/dbraw/zinc/92/63/32/537926332.db2.gz MURNFHHIOIYCCJ-UHFFFAOYSA-N 0 0 225.338 2.981 50 0 BFAARN Cc1cc(NC(=O)Nc2cccc(C)c2)n(C)n1 ZINC000048870056 566492612 /nfs/dbraw/zinc/49/26/12/566492612.db2.gz UWCDBLRZYGFPNA-UHFFFAOYSA-N 0 0 244.298 2.681 50 0 BFAARN C[C@@H]1c2ccsc2CCN1c1cnc(F)cn1 ZINC000853096345 588719767 /nfs/dbraw/zinc/71/97/67/588719767.db2.gz YHEQCGVEBLEHJP-MRVPVSSYSA-N 0 0 249.314 2.801 50 0 BFAARN CCCCC(=O)c1nc(C2OCCO2)cs1 ZINC000757123886 582498890 /nfs/dbraw/zinc/49/88/90/582498890.db2.gz KSPARGGAUCWSKM-UHFFFAOYSA-N 0 0 241.312 2.561 50 0 BFAARN O=Cc1cccc(-c2ccncc2F)c1F ZINC000394917998 583024230 /nfs/dbraw/zinc/02/42/30/583024230.db2.gz PXULBMPKKUATRL-UHFFFAOYSA-N 0 0 219.190 2.839 50 0 BFAARN Clc1cccc(CN2CCOCC2)c1Cl ZINC000019633044 583106485 /nfs/dbraw/zinc/10/64/85/583106485.db2.gz UMOUJDYMYCEROQ-UHFFFAOYSA-N 0 0 246.137 2.826 50 0 BFAARN C=CC(=O)N1Cc2cc(C)ccc2C(C)(C)C1 ZINC000888102230 583182872 /nfs/dbraw/zinc/18/28/72/583182872.db2.gz IJPSJHOBPHALJV-UHFFFAOYSA-N 0 0 229.323 2.801 50 0 BFAARN C=CC(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000791337881 585978037 /nfs/dbraw/zinc/97/80/37/585978037.db2.gz XSCKSQOPQMACSP-LLVKDONJSA-N 0 0 221.687 2.630 50 0 BFAARN C=CC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000791380407 585979864 /nfs/dbraw/zinc/97/98/64/585979864.db2.gz QPJRATHUJYSWIM-YMTOWFKASA-N 0 0 233.286 2.751 50 0 BFAARN C=CC(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000863971503 589330722 /nfs/dbraw/zinc/33/07/22/589330722.db2.gz VUDNEILGZMGWDD-MGCOHNPYSA-N 0 0 235.714 2.888 50 0 BFAARN CC(=O)[C@H](C)SCc1nc(C(C)C)ns1 ZINC000863982327 589333485 /nfs/dbraw/zinc/33/34/85/589333485.db2.gz CDRPOKIWGGJPNI-QMMMGPOBSA-N 0 0 244.385 2.872 50 0 BFAARN CC(C)OCCNc1cccc(CO)c1Cl ZINC000864094192 589344436 /nfs/dbraw/zinc/34/44/36/589344436.db2.gz JCFICCYHEAQMHE-UHFFFAOYSA-N 0 0 243.734 2.669 50 0 BFAARN CCNc1nc(-c2ccns2)cs1 ZINC000864097105 589345004 /nfs/dbraw/zinc/34/50/04/589345004.db2.gz NREMVFHUZVOAHT-UHFFFAOYSA-N 0 0 211.315 2.698 50 0 BFAARN CCn1nc(C)cc1-c1cc(C)cc2nccn21 ZINC000877871094 590433838 /nfs/dbraw/zinc/43/38/38/590433838.db2.gz KIFINBZDWURARU-UHFFFAOYSA-N 0 0 240.310 2.835 50 0 BFAARN C[C@@H](C(=O)NC1CCCCCC1)n1cccc1 ZINC000130218032 592734390 /nfs/dbraw/zinc/73/43/90/592734390.db2.gz UZFYJDZMTWYXGC-LBPRGKRZSA-N 0 0 234.343 2.888 50 0 BFAARN Cc1ccccc1Cc1nnc2n1CCCC2 ZINC000258110637 634569736 /nfs/dbraw/zinc/56/97/36/634569736.db2.gz GDXBAAIIERIZCU-UHFFFAOYSA-N 0 0 227.311 2.514 50 0 BFAARN Cc1ccccc1NC(=O)[C@H](C)n1cccc1 ZINC000039111089 631749598 /nfs/dbraw/zinc/74/95/98/631749598.db2.gz GDYOLKITKZLCPK-LBPRGKRZSA-N 0 0 228.295 2.996 50 0 BFAARN Cc1nc(C)c(-c2cc(N)nc3[nH]ccc32)s1 ZINC000072462889 632059909 /nfs/dbraw/zinc/05/99/09/632059909.db2.gz XWKLYOOELBSHKV-UHFFFAOYSA-N 0 0 244.323 2.885 50 0 BFAARN Cn1cc(-c2ncccc2C(F)(F)F)cn1 ZINC000426599782 635735329 /nfs/dbraw/zinc/73/53/29/635735329.db2.gz SKRWREGMVXQLJH-UHFFFAOYSA-N 0 0 227.189 2.501 50 0 BFAARN Cc1ccc2nccc(C(=O)N3CC=CC3)c2c1 ZINC000020211840 633809935 /nfs/dbraw/zinc/80/99/35/633809935.db2.gz XUJPQEAMCFEKOH-UHFFFAOYSA-N 0 0 238.290 2.555 50 0 BFAARN CC(C)/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000213568472 635167137 /nfs/dbraw/zinc/16/71/37/635167137.db2.gz UQQBBTJUQXNNQV-FPYGCLRLSA-N 0 0 219.240 2.990 50 0 BFAARN C=CC(=O)Nc1ccc2c(c1)CCC(C)(C)O2 ZINC000888098407 635376661 /nfs/dbraw/zinc/37/66/61/635376661.db2.gz DKEOCZAUTMEDFC-UHFFFAOYSA-N 0 0 231.295 2.915 50 0 BFAARN C=CC(=O)Nc1cccc(C2CCOCC2)c1 ZINC000863971468 636732354 /nfs/dbraw/zinc/73/23/54/636732354.db2.gz UNDCQGMBXRFNMO-UHFFFAOYSA-N 0 0 231.295 2.705 50 0 BFAARN O=C1C[C@H](c2ccccc2)c2cc(O)ccc2O1 ZINC000000436522 636818577 /nfs/dbraw/zinc/81/85/77/636818577.db2.gz CTYPLGFAIKYKIV-GFCCVEGCSA-N 0 0 240.258 2.833 50 0 BFAARN O=C(/C=C\c1ccco1)NCc1ccc(F)cc1 ZINC000033456681 636918407 /nfs/dbraw/zinc/91/84/07/636918407.db2.gz XLLFVULPPOKHKG-FPLPWBNLSA-N 0 0 245.253 2.748 50 0 BFAARN COc1cccc(-c2ccc(C=O)o2)c1OC ZINC000150202556 639415680 /nfs/dbraw/zinc/41/56/80/639415680.db2.gz KHOWDBMEOLUITC-UHFFFAOYSA-N 0 0 232.235 2.776 50 0 BFAARN O=C(NC1CC1)c1cccc(-c2cccnc2)c1 ZINC000032517900 641345122 /nfs/dbraw/zinc/34/51/22/641345122.db2.gz BIPZIONKRZAFJQ-UHFFFAOYSA-N 0 0 238.290 2.641 50 0 BFAARN Cc1cc(-c2c(C)cccc2C)nc(N)n1 ZINC000032547795 641363831 /nfs/dbraw/zinc/36/38/31/641363831.db2.gz BXZCCAPYGPZIDA-UHFFFAOYSA-N 0 0 213.284 2.651 50 0 BFAARN Cc1nccnc1-c1coc2ccccc2c1=O ZINC000032558310 641373526 /nfs/dbraw/zinc/37/35/26/641373526.db2.gz NXPPFWCATOSXQX-UHFFFAOYSA-N 0 0 238.246 2.558 50 0 BFAARN Cc1noc(C)c1COC(=O)/C=C\c1ccco1 ZINC000033729275 642328305 /nfs/dbraw/zinc/32/83/05/642328305.db2.gz WYWVAMFDPGBNMR-WAYWQWQTSA-N 0 0 247.250 2.641 50 0 BFAARN Cc1cc(C)n(CNc2ccc(C)cc2)n1 ZINC000000291632 642765455 /nfs/dbraw/zinc/76/54/55/642765455.db2.gz KJRRYNVOHPEKLS-UHFFFAOYSA-N 0 0 215.300 2.878 50 0 BFAARN Cc1n[nH]c(C)c1CCOc1ccccc1C ZINC000000449012 642778520 /nfs/dbraw/zinc/77/85/20/642778520.db2.gz JDWAIHUYILDJAM-UHFFFAOYSA-N 0 0 230.311 2.956 50 0 BFAARN CCc1ccccc1-c1nc2c[nH]n(C)c-2n1 ZINC000019224069 643040460 /nfs/dbraw/zinc/04/04/60/643040460.db2.gz GIYOMKNAFWIDGE-UHFFFAOYSA-N 0 0 226.283 2.526 50 0 BFAARN CCOC(=O)/C=C\c1cccc(OCC)c1 ZINC000090461277 643523027 /nfs/dbraw/zinc/52/30/27/643523027.db2.gz HCKOJKUUNSOANP-HJWRWDBZSA-N 0 0 220.268 2.662 50 0 BFAARN COC(C)(C)CCC[C@H](C)COC(C)=O ZINC000012383408 644135499 /nfs/dbraw/zinc/13/54/99/644135499.db2.gz LBMUSVGZWYAWPE-JTQLQIEISA-N 0 0 216.321 2.781 50 0 BFAARN Cc1ccccc1C[N@@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC000952964756 644446489 /nfs/dbraw/zinc/44/64/89/644446489.db2.gz WFUIPRBOUWSKGD-TZMCWYRMSA-N 0 0 247.338 2.823 50 0 BFAARN CCn1ccc(-c2ncnn2C2CCCCC2)n1 ZINC000091475746 644626844 /nfs/dbraw/zinc/62/68/44/644626844.db2.gz IGUYYGPZNQMFLK-UHFFFAOYSA-N 0 0 245.330 2.667 50 0 BFAARN Nc1nc2c(s1)C[C@H]1CCCC[C@H]1C2 ZINC000034617903 645606226 /nfs/dbraw/zinc/60/62/26/645606226.db2.gz JHUMDYXYRRVVRQ-JGVFFNPUSA-N 0 0 208.330 2.630 50 0 BFAARN Cc1cc(-c2[nH]cnc2-c2ccccc2)n[nH]1 ZINC000067788843 710990568 /nfs/dbraw/zinc/99/05/68/710990568.db2.gz RGIDBANDQHCKQT-UHFFFAOYSA-N 0 0 224.267 2.775 50 0 BFAARN CCC[C@@H]1CCC(=O)C[C@H]1n1cccn1 ZINC000725360901 711664334 /nfs/dbraw/zinc/66/43/34/711664334.db2.gz KXQOGFZWZWWHDL-ZYHUDNBSSA-N 0 0 206.289 2.594 50 0 BFAARN Cn1ccc(-c2cccc(-c3cnccn3)c2)n1 ZINC000023337641 711668006 /nfs/dbraw/zinc/66/80/06/711668006.db2.gz YMWCXBQJJBJZDF-UHFFFAOYSA-N 0 0 236.278 2.544 50 0 BFAARN C=CC(=O)N1CCCSc2ccc(F)cc21 ZINC000863971507 712620114 /nfs/dbraw/zinc/62/01/14/712620114.db2.gz WAHBNGJBTZQTPM-UHFFFAOYSA-N 0 0 237.299 2.841 50 0 BFAARN CC[C@H](NC(=O)c1c[nH]cc1C)c1ccccn1 ZINC000585088045 972125030 /nfs/dbraw/zinc/12/50/30/972125030.db2.gz IFCBKYAARNAKDK-LBPRGKRZSA-N 0 0 243.310 2.599 50 0 BFAARN C[C@H](CO)SCc1nsc2ccccc12 ZINC000585118483 972148589 /nfs/dbraw/zinc/14/85/89/972148589.db2.gz QJUKYIPCDVTZPW-MRVPVSSYSA-N 0 0 239.365 2.910 50 0 BFAARN CCOc1ccc(CN=c2[nH]c(C)c(C)o2)cc1 ZINC000585118336 972149606 /nfs/dbraw/zinc/14/96/06/972149606.db2.gz KTMLBRRSVRQTSI-UHFFFAOYSA-N 0 0 246.310 2.724 50 0 BFAARN CCc1c[nH]c(SCC2(O)CCCCC2)n1 ZINC000585132941 972170407 /nfs/dbraw/zinc/17/04/07/972170407.db2.gz IIACMNYOEPJJFI-UHFFFAOYSA-N 0 0 240.372 2.759 50 0 BFAARN CCOc1ccc(OCc2cc(OC)no2)cc1 ZINC000585124132 961861154 /nfs/dbraw/zinc/86/11/54/961861154.db2.gz LZRJSGJGNHEDGO-UHFFFAOYSA-N 0 0 249.266 2.661 50 0 BFAARN C[C@H](c1nc(-c2ccco2)n[nH]1)N1CCCCC1 ZINC000822182793 968510378 /nfs/dbraw/zinc/51/03/78/968510378.db2.gz XZLQOOGGESUWKM-SNVBAGLBSA-N 0 0 246.314 2.612 50 0 BFAARN CC(C)(C)n1ncnc1COCc1ccccc1 ZINC000822289247 968515521 /nfs/dbraw/zinc/51/55/21/968515521.db2.gz GVKONQWGSTWCTF-UHFFFAOYSA-N 0 0 245.326 2.750 50 0 BFAARN Cc1cccnc1Nc1ccnc(C2CC2)n1 ZINC000825236548 968638928 /nfs/dbraw/zinc/63/89/28/968638928.db2.gz XOEQMVYUVAPOCM-UHFFFAOYSA-N 0 0 226.283 2.801 50 0 BFAARN Cc1cc2cc(NC(=O)[C@H]3CCCO3)ccc2o1 ZINC000828124114 968760354 /nfs/dbraw/zinc/76/03/54/968760354.db2.gz WEIFGYHPPLKAAW-CYBMUJFWSA-N 0 0 245.278 2.859 50 0 BFAARN CC(C)c1ccc(N[C@@H]2CC[C@H]2O)cc1 ZINC000585299010 973918024 /nfs/dbraw/zinc/91/80/24/973918024.db2.gz ZHMMKSMECCOPJH-CHWSQXEVSA-N 0 0 205.301 2.745 50 0 BFAARN Fc1cc(Cl)cnc1OC[C@@H]1CCCOC1 ZINC000585652115 973922182 /nfs/dbraw/zinc/92/21/82/973922182.db2.gz WKCBYSSEGWLGOU-MRVPVSSYSA-N 0 0 245.681 2.680 50 0 BFAARN c1ccc2c(c1)CCC[C@H]2Oc1cnccn1 ZINC000585655269 973929508 /nfs/dbraw/zinc/92/95/08/973929508.db2.gz ZQVRHDDSPFEFEV-CYBMUJFWSA-N 0 0 226.279 2.933 50 0 BFAARN Cc1nc(NCc2cncs2)cc(C2CC2)n1 ZINC000952877993 974056149 /nfs/dbraw/zinc/05/61/49/974056149.db2.gz XKXSBTJKEHJWCC-UHFFFAOYSA-N 0 0 246.339 2.731 50 0 BFAARN CC[C@H](Nc1nccc(N)n1)c1ccc(C)cc1 ZINC001529133769 990332877 /nfs/dbraw/zinc/33/28/77/990332877.db2.gz BGGOFSSLWLJTSJ-LBPRGKRZSA-N 0 0 242.326 2.930 50 0 BFAARN OCC(F)(F)c1ccc(C(F)F)cc1 ZINC001529596394 990356345 /nfs/dbraw/zinc/35/63/45/990356345.db2.gz ZMVZJRNNOJEEFC-UHFFFAOYSA-N 0 0 208.154 2.708 50 0 BFAARN Cc1cc(C)nc(NCCC[C@H]2CCCCO2)n1 ZINC000302236195 177943766 /nfs/dbraw/zinc/94/37/66/177943766.db2.gz VMAFKZHDVKGBGO-CYBMUJFWSA-N 0 0 249.358 2.855 50 0 BFAARN COC(=O)c1sccc1/C=C/Br ZINC000685964517 538911246 /nfs/dbraw/zinc/91/12/46/538911246.db2.gz KQKRXRUQHMNLQI-DUXPYHPUSA-N 0 0 247.113 2.900 50 0 BFAARN Cc1cc(C)nc(Nc2cccc(O)c2)n1 ZINC000000084757 177946928 /nfs/dbraw/zinc/94/69/28/177946928.db2.gz HLDRMBWIBILLLN-UHFFFAOYSA-N 0 0 215.256 2.543 50 0 BFAARN Cc1cc(CNC(=O)Nc2ccccc2C)on1 ZINC000061733165 178014605 /nfs/dbraw/zinc/01/46/05/178014605.db2.gz LKPBQEMJXLDMAS-UHFFFAOYSA-N 0 0 245.282 2.613 50 0 BFAARN Cc1cc(CNC(=O)c2ccoc2)ccc1F ZINC000010552413 178017549 /nfs/dbraw/zinc/01/75/49/178017549.db2.gz PRWTVQZRZONTJN-UHFFFAOYSA-N 0 0 233.242 2.657 50 0 BFAARN Cc1cc(CNc2ccccc2F)on1 ZINC000064556207 178044860 /nfs/dbraw/zinc/04/48/60/178044860.db2.gz VOHGHIXSKRTLCL-UHFFFAOYSA-N 0 0 206.220 2.734 50 0 BFAARN CC(C)CCC(=O)O[C@@H](C)CC(C)(C)O ZINC000241720842 398160956 /nfs/dbraw/zinc/16/09/56/398160956.db2.gz QSSSNOFLCMCMMP-JTQLQIEISA-N 0 0 216.321 2.515 50 0 BFAARN O=C(O[C@H]1CCOc2ccccc21)c1ccoc1 ZINC000241515511 398161030 /nfs/dbraw/zinc/16/10/30/398161030.db2.gz OFXQNCWLVSKZRF-ZDUSSCGKSA-N 0 0 244.246 2.960 50 0 BFAARN Cc1cc(Cn2ccc(-c3ccccc3)n2)no1 ZINC000098012548 178074125 /nfs/dbraw/zinc/07/41/25/178074125.db2.gz GAUJHEFVQRHCBY-UHFFFAOYSA-N 0 0 239.278 2.895 50 0 BFAARN CCC(CC)C(=O)NCCc1ccccc1 ZINC000000362331 168337443 /nfs/dbraw/zinc/33/74/43/168337443.db2.gz YTDFJJNTCPOIFC-UHFFFAOYSA-N 0 0 219.328 2.782 50 0 BFAARN C/C=C/CSCC(=O)NC1CCCCC1 ZINC000096404875 187326484 /nfs/dbraw/zinc/32/64/84/187326484.db2.gz KMLLBJXGWVNGRI-NSCUHMNNSA-N 0 0 227.373 2.745 50 0 BFAARN Cc1cc(F)ccc1NC(=O)c1ccncc1 ZINC000001053732 178089470 /nfs/dbraw/zinc/08/94/70/178089470.db2.gz KKAUTHOQSQZBDF-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN Cc1cc(F)ccc1NC(=O)c1ccco1 ZINC000001056207 178089836 /nfs/dbraw/zinc/08/98/36/178089836.db2.gz SLTUQIKVKKZMSS-UHFFFAOYSA-N 0 0 219.215 2.979 50 0 BFAARN Cc1cc(F)ccc1NC(=O)c1ccccn1 ZINC000006460463 178090199 /nfs/dbraw/zinc/09/01/99/178090199.db2.gz MTUXKKCBPIMBMM-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN Cc1cc(F)ccc1Nc1ncccc1N ZINC000020585680 178090648 /nfs/dbraw/zinc/09/06/48/178090648.db2.gz SVNHSJSOFYSCFR-UHFFFAOYSA-N 0 0 217.247 2.855 50 0 BFAARN Cc1cc(N)nc(SCCc2ccccc2)n1 ZINC000048314658 178109550 /nfs/dbraw/zinc/10/95/50/178109550.db2.gz RSXQGHLOVQVRQC-UHFFFAOYSA-N 0 0 245.351 2.702 50 0 BFAARN Cc1cc(NC(=O)/C=C/c2ccc(C)o2)no1 ZINC000000204319 178124150 /nfs/dbraw/zinc/12/41/50/178124150.db2.gz YDZLAEDGHKFFAY-AATRIKPKSA-N 0 0 232.239 2.536 50 0 BFAARN Cc1cc(NC(=O)C2CCCCC2)no1 ZINC000000280642 178125739 /nfs/dbraw/zinc/12/57/39/178125739.db2.gz HSYJEDFAOIDWDZ-UHFFFAOYSA-N 0 0 208.261 2.502 50 0 BFAARN Cc1cc(NC(=O)CCC2CCCC2)n(C)n1 ZINC000027934083 178128301 /nfs/dbraw/zinc/12/83/01/178128301.db2.gz ZPORBKDKURKXTH-UHFFFAOYSA-N 0 0 235.331 2.637 50 0 BFAARN CCOc1cc(O)cc(OC(F)(F)F)c1 ZINC000261494513 398208194 /nfs/dbraw/zinc/20/81/94/398208194.db2.gz ZNASACCGQRRHPU-UHFFFAOYSA-N 0 0 222.162 2.690 50 0 BFAARN Cc1cc(NC(=O)Nc2ccncc2)ccc1O ZINC000097104532 178142030 /nfs/dbraw/zinc/14/20/30/178142030.db2.gz SKAUEXCXYADJBE-UHFFFAOYSA-N 0 0 243.266 2.740 50 0 BFAARN Cc1cc(NC(=O)[C@@H]2CC=CCC2)sn1 ZINC000098016406 178144226 /nfs/dbraw/zinc/14/42/26/178144226.db2.gz MSJUZFYZOFHTPS-SECBINFHSA-N 0 0 222.313 2.746 50 0 BFAARN Cc1cc(NC(=O)[C@H]2CC=CCC2)sn1 ZINC000098016405 178147702 /nfs/dbraw/zinc/14/77/02/178147702.db2.gz MSJUZFYZOFHTPS-VIFPVBQESA-N 0 0 222.313 2.746 50 0 BFAARN Cc1cc(NC(=O)c2c[nH]c3ccccc23)no1 ZINC000035139500 178149120 /nfs/dbraw/zinc/14/91/20/178149120.db2.gz JWQUVRYDXNKYLB-UHFFFAOYSA-N 0 0 241.250 2.717 50 0 BFAARN Cc1cc(NC(=O)c2ccc(C)c(F)c2)no1 ZINC000009314066 178149851 /nfs/dbraw/zinc/14/98/51/178149851.db2.gz GTOGAHKWCGMHTD-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN Cc1cc(NC(=O)c2ccc(Cl)cc2)on1 ZINC000013596631 178150061 /nfs/dbraw/zinc/15/00/61/178150061.db2.gz NKNMONDDSNGEGO-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN Nc1nc2ccccc2cc1Br ZINC000075252878 398218455 /nfs/dbraw/zinc/21/84/55/398218455.db2.gz CVEFDUOXWWDNET-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN CCOc1ccc(Br)cc1OC ZINC000074934313 398210310 /nfs/dbraw/zinc/21/03/10/398210310.db2.gz BGECZFRMXAHTGH-UHFFFAOYSA-N 0 0 231.089 2.856 50 0 BFAARN Cc1cc(NCc2csnn2)ccc1F ZINC000061117198 178176549 /nfs/dbraw/zinc/17/65/49/178176549.db2.gz IFTCXDCMXJAXFE-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN Cc1cc(O[C@H](C)C(=O)N(C)C)ccc1Cl ZINC000072119108 178213690 /nfs/dbraw/zinc/21/36/90/178213690.db2.gz JFYRCVLCSBMANX-SECBINFHSA-N 0 0 241.718 2.504 50 0 BFAARN Cc1cc(Nc2ccccc2O)nc(C)n1 ZINC000008614915 178193409 /nfs/dbraw/zinc/19/34/09/178193409.db2.gz BEHHWLFDHZJBHX-UHFFFAOYSA-N 0 0 215.256 2.543 50 0 BFAARN Cc1cc(Nc2cccc(F)c2)ncn1 ZINC000011903103 178194206 /nfs/dbraw/zinc/19/42/06/178194206.db2.gz CULWYNCFNQXSTD-UHFFFAOYSA-N 0 0 203.220 2.668 50 0 BFAARN Cc1cc(O)c(F)c(Br)c1 ZINC000042750078 178197547 /nfs/dbraw/zinc/19/75/47/178197547.db2.gz QHVGXKWNWNRIIM-UHFFFAOYSA-N 0 0 205.026 2.602 50 0 BFAARN Cc1cc(OC(F)(F)F)ccc1C=O ZINC000016125766 178208413 /nfs/dbraw/zinc/20/84/13/178208413.db2.gz JTPTUKVDAYQHMZ-UHFFFAOYSA-N 0 0 204.147 2.706 50 0 BFAARN Cc1ccc(C)c(NC(=O)Nc2ccnn2C)c1 ZINC000170590337 361755487 /nfs/dbraw/zinc/75/54/87/361755487.db2.gz ZNKPSYCQKBQNRU-UHFFFAOYSA-N 0 0 244.298 2.681 50 0 BFAARN CC(C)[C@H](C)NC(=O)c1cnoc1-c1ccoc1 ZINC000170607849 361799124 /nfs/dbraw/zinc/79/91/24/361799124.db2.gz QGDIORREXMZASH-VIFPVBQESA-N 0 0 248.282 2.709 50 0 BFAARN Cc1cc([C@@H]2CCCN2C(=O)C(C)(C)C)no1 ZINC000021718804 178241855 /nfs/dbraw/zinc/24/18/55/178241855.db2.gz YHILPCPPHPFJIB-NSHDSACASA-N 0 0 236.315 2.693 50 0 BFAARN CC(C)(C)OC(=O)n1ccc2cc(F)cnc21 ZINC000014401009 259305741 /nfs/dbraw/zinc/30/57/41/259305741.db2.gz HKZLVKNLNVZTAQ-UHFFFAOYSA-N 0 0 236.246 2.959 50 0 BFAARN Cc1cc([C@](C)(O)CNc2ccccn2)c(C)o1 ZINC000078308416 178269932 /nfs/dbraw/zinc/26/99/32/178269932.db2.gz WIEXCXCKCFNEDV-CQSZACIVSA-N 0 0 246.310 2.611 50 0 BFAARN Cc1cc2c(c(C)c1Cl)C(=O)CCO2 ZINC000034076845 178282211 /nfs/dbraw/zinc/28/22/11/178282211.db2.gz WFQICTIKWLRLCH-UHFFFAOYSA-N 0 0 210.660 2.922 50 0 BFAARN Cc1cc2c(cc1Br)NC[C@H](C)O2 ZINC000072314760 178285013 /nfs/dbraw/zinc/28/50/13/178285013.db2.gz STUKZTVEFCFQJX-ZETCQYMHSA-N 0 0 242.116 2.950 50 0 BFAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C1CC1)N2 ZINC000002731995 178300468 /nfs/dbraw/zinc/30/04/68/178300468.db2.gz PQMGALGWECRSJB-RKDXNWHRSA-N 0 0 245.248 2.889 50 0 BFAARN Cc1cc2nc(C)c(-c3ccccc3)c(N)n2n1 ZINC000000204973 178300510 /nfs/dbraw/zinc/30/05/10/178300510.db2.gz UITLYEVZEXSXKR-UHFFFAOYSA-N 0 0 238.294 2.595 50 0 BFAARN Cc1cc2nc(SCCO)nc(C)c2cc1C ZINC000001754422 178303543 /nfs/dbraw/zinc/30/35/43/178303543.db2.gz FCUFCWLGCCMWOV-UHFFFAOYSA-N 0 0 248.351 2.639 50 0 BFAARN Cc1cc2ncn(-c3cccc(N)n3)c2cc1C ZINC000065531134 178305530 /nfs/dbraw/zinc/30/55/30/178305530.db2.gz SGUIQIPWGYYYME-UHFFFAOYSA-N 0 0 238.294 2.620 50 0 BFAARN Cc1cc2occ(CC(N)=O)c2c(C)c1Cl ZINC000004867579 178307197 /nfs/dbraw/zinc/30/71/97/178307197.db2.gz VFTNDKWGDNESKX-UHFFFAOYSA-N 0 0 237.686 2.731 50 0 BFAARN Cc1ccc(-c2cc(C(=O)NC(C)C)on2)cc1 ZINC000065405218 178319715 /nfs/dbraw/zinc/31/97/15/178319715.db2.gz MDBYLRWUQRWBLO-UHFFFAOYSA-N 0 0 244.294 2.788 50 0 BFAARN Cc1ccc(-c2cc(C=O)on2)cc1C ZINC000064033752 178320337 /nfs/dbraw/zinc/32/03/37/178320337.db2.gz NKCCZRTTZWSJBA-UHFFFAOYSA-N 0 0 201.225 2.771 50 0 BFAARN Cc1cc(C(=O)NCc2ccncc2)c(C)s1 ZINC000024581980 538945611 /nfs/dbraw/zinc/94/56/11/538945611.db2.gz UNDGPHVAAQJKNL-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN Cc1ccc(-c2nc3cc(N)ccc3o2)cc1N ZINC000000242207 178337536 /nfs/dbraw/zinc/33/75/36/178337536.db2.gz UTPASCSQJKDJIL-UHFFFAOYSA-N 0 0 239.278 2.968 50 0 BFAARN Cc1ccc(C2N=NC(=S)O2)cc1C ZINC000007141470 178340729 /nfs/dbraw/zinc/34/07/29/178340729.db2.gz ZKMQIPCAKYEHCX-UHFFFAOYSA-N 0 0 206.270 2.642 50 0 BFAARN Cc1ccc(-c2noc(C(C)(C)F)n2)cn1 ZINC000273700118 178342322 /nfs/dbraw/zinc/34/23/22/178342322.db2.gz GQCNZCSGMREDRO-UHFFFAOYSA-N 0 0 221.235 2.645 50 0 BFAARN Cc1ccc(-c2nonc2NC(=O)C(C)C)cc1 ZINC000005483052 178345364 /nfs/dbraw/zinc/34/53/64/178345364.db2.gz CIPRIGBNRWDFRB-UHFFFAOYSA-N 0 0 245.282 2.640 50 0 BFAARN Cc1ccc(N2CN=NC2=S)cc1Cl ZINC000003888604 178346761 /nfs/dbraw/zinc/34/67/61/178346761.db2.gz KHQUDUXSVOKFOK-UHFFFAOYSA-N 0 0 225.704 2.518 50 0 BFAARN Cc1ccc(-c2csc3[nH]cnc(=O)c23)o1 ZINC000084847156 178331055 /nfs/dbraw/zinc/33/10/55/178331055.db2.gz PMVYUYYRYHAMLD-UHFFFAOYSA-N 0 0 232.264 2.553 50 0 BFAARN Cc1ccc(C=Cc2n[nH]c(=S)[nH]2)o1 ZINC000008981636 178355859 /nfs/dbraw/zinc/35/58/59/178355859.db2.gz YDNYUEONBNKKRC-SNAWJCMRSA-N 0 0 207.258 2.539 50 0 BFAARN C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccco1 ZINC000025260718 538947974 /nfs/dbraw/zinc/94/79/74/538947974.db2.gz CJUPUXDQSVWOJO-WDEREUQCSA-N 0 0 219.284 2.813 50 0 BFAARN Cc1ccc(C=Cc2n[nH]c(=S)[nH]2)cc1 ZINC000016735446 178356471 /nfs/dbraw/zinc/35/64/71/178356471.db2.gz RXGZUZMDXOMBEX-VOTSOKGWSA-N 0 0 217.297 2.946 50 0 BFAARN CCOc1cc(=O)oc2ccc(C)cc12 ZINC000000057839 343997624 /nfs/dbraw/zinc/99/76/24/343997624.db2.gz UWYBUCACTOISFA-UHFFFAOYSA-N 0 0 204.225 2.500 50 0 BFAARN Cc1ccc(C(=O)N(C(C)C)C(C)C)o1 ZINC000002748722 178374030 /nfs/dbraw/zinc/37/40/30/178374030.db2.gz OMBXXKWDMBNHMZ-UHFFFAOYSA-N 0 0 209.289 2.847 50 0 BFAARN C[C@H](NC(=O)c1cccn1C)c1cccc(F)c1 ZINC000032983530 538951318 /nfs/dbraw/zinc/95/13/18/538951318.db2.gz NVGRZERCIFNGDM-JTQLQIEISA-N 0 0 246.285 2.655 50 0 BFAARN CSCCC(=O)N1CCCCCCC1 ZINC000032667778 538950451 /nfs/dbraw/zinc/95/04/51/538950451.db2.gz QIYBBMWPIIIPAK-UHFFFAOYSA-N 0 0 215.362 2.532 50 0 BFAARN Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000033019163 178399999 /nfs/dbraw/zinc/39/99/99/178399999.db2.gz YXGZIGDPZVGKST-STQMWFEESA-N 0 0 247.338 2.553 50 0 BFAARN COc1cc(Br)c(Cl)cn1 ZINC000081991097 398271634 /nfs/dbraw/zinc/27/16/34/398271634.db2.gz RSSHUQXUQXYECT-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN Cc1nc(CNC(=O)c2ccc(C)cc2)cs1 ZINC000015832142 178417055 /nfs/dbraw/zinc/41/70/55/178417055.db2.gz NSOCESKXWFKOHS-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN Cc1ccc(C(=O)N[C@@H](C)Cc2ccco2)o1 ZINC000040074719 178420870 /nfs/dbraw/zinc/42/08/70/178420870.db2.gz DPACNUQXAWSQPV-VIFPVBQESA-N 0 0 233.267 2.542 50 0 BFAARN COC(=O)c1sc(-c2ccccc2)cc1N ZINC000000080609 342673559 /nfs/dbraw/zinc/67/35/59/342673559.db2.gz QESSCNMSOLRYBO-UHFFFAOYSA-N 0 0 233.292 2.784 50 0 BFAARN Cn1ccc(-c2ccc(Br)cc2)n1 ZINC000000096524 342674064 /nfs/dbraw/zinc/67/40/64/342674064.db2.gz GZQYXOYGTVBFQA-UHFFFAOYSA-N 0 0 237.100 2.850 50 0 in-vitro BFAARN Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000000122913 342675736 /nfs/dbraw/zinc/67/57/36/342675736.db2.gz JHTBOVFZNCAYFZ-UHFFFAOYSA-N 0 0 209.252 2.812 50 0 BFAARN O=C1N=C(c2ccccc2)[C@H](c2ccccc2)N1 ZINC000000129315 342676150 /nfs/dbraw/zinc/67/61/50/342676150.db2.gz UXKWMBYYIUTXCY-ZDUSSCGKSA-N 0 0 236.274 2.940 50 0 BFAARN COC(=O)c1cccnc1Oc1ccccc1 ZINC000000132808 342676442 /nfs/dbraw/zinc/67/64/42/342676442.db2.gz CYBVAKNBOUITGD-UHFFFAOYSA-N 0 0 229.235 2.661 50 0 BFAARN O=C(Oc1ccccc1)c1cccs1 ZINC000000140759 342676578 /nfs/dbraw/zinc/67/65/78/342676578.db2.gz BUCUTHKQTIKRHI-UHFFFAOYSA-N 0 0 204.250 2.967 50 0 BFAARN Clc1cncc(Oc2ccc(Cl)nn2)c1 ZINC000000153129 342677372 /nfs/dbraw/zinc/67/73/72/342677372.db2.gz QVUIBPOMRSTXEE-UHFFFAOYSA-N 0 0 242.065 2.971 50 0 BFAARN Clc1nc(Cl)nc(-c2ccccc2)n1 ZINC000000154596 342677584 /nfs/dbraw/zinc/67/75/84/342677584.db2.gz AMEVJOWOWQPPJQ-UHFFFAOYSA-N 0 0 226.066 2.845 50 0 BFAARN O=C(c1ccccc1)C1(O)CCCCC1 ZINC000000155086 342677805 /nfs/dbraw/zinc/67/78/05/342677805.db2.gz QNODIIQQMGDSEF-UHFFFAOYSA-N 0 0 204.269 2.565 50 0 BFAARN O=C(c1ccc(O)cc1)c1ccccc1F ZINC000000156427 342678083 /nfs/dbraw/zinc/67/80/83/342678083.db2.gz FHFDJJWFCDGBEM-UHFFFAOYSA-N 0 0 216.211 2.762 50 0 BFAARN CCc1cc(Br)ccc1N ZINC000000157192 342678117 /nfs/dbraw/zinc/67/81/17/342678117.db2.gz LGOZNQPHTIGMQJ-UHFFFAOYSA-N 0 0 200.079 2.594 50 0 BFAARN Clc1ccc(OC[C@@H]2CO2)cc1Cl ZINC000000162772 342678395 /nfs/dbraw/zinc/67/83/95/342678395.db2.gz NRLJEEOYPXGFOM-SSDOTTSWSA-N 0 0 219.067 2.771 50 0 BFAARN CCCc1ncc([C@H](O)c2ccc(C)cc2)n1C ZINC000000170143 342678920 /nfs/dbraw/zinc/67/89/20/342678920.db2.gz HBXMZDAHOUFAFK-OAHLLOKOSA-N 0 0 244.338 2.763 50 0 BFAARN CCc1ccc(Oc2ncccn2)cc1 ZINC000036396300 538959926 /nfs/dbraw/zinc/95/99/26/538959926.db2.gz WIGXORDOQZMFBD-UHFFFAOYSA-N 0 0 200.241 2.831 50 0 BFAARN CC[C@H]1CCc2c(sc(N)c2C(=O)OC)C1 ZINC000000184333 342679418 /nfs/dbraw/zinc/67/94/18/342679418.db2.gz OAGCBMZNJLDSNV-ZETCQYMHSA-N 0 0 239.340 2.632 50 0 BFAARN O=C([C@H]1C[C@@H]1c1ccccc1)N1CCCCC1 ZINC000000185985 342679518 /nfs/dbraw/zinc/67/95/18/342679518.db2.gz BYCDPTRUPKGZOX-KGLIPLIRSA-N 0 0 229.323 2.803 50 0 BFAARN CCc1c(C)c2ccc(O)c(C)c2oc1=O ZINC000000196342 342679633 /nfs/dbraw/zinc/67/96/33/342679633.db2.gz GNXXGLPSRSIGOY-UHFFFAOYSA-N 0 0 218.252 2.678 50 0 BFAARN COc1cccc2c1nc1occc1c2OC ZINC000000199415 342680067 /nfs/dbraw/zinc/68/00/67/342680067.db2.gz KFBCTNNQFGONHB-UHFFFAOYSA-N 0 0 229.235 2.998 50 0 endogenous,in-man BFAARN CC(C)n1c2ccccc2nc1[C@@H](C)O ZINC000000210241 342680465 /nfs/dbraw/zinc/68/04/65/342680465.db2.gz HCAAICKZPITSJW-SECBINFHSA-N 0 0 204.273 2.671 50 0 BFAARN O=C(CCC1CCCC1)Nc1cccnc1 ZINC000000222375 342680664 /nfs/dbraw/zinc/68/06/64/342680664.db2.gz FKDTUZRCFIZSDC-UHFFFAOYSA-N 0 0 218.300 2.991 50 0 BFAARN Nc1ccccc1NC(=O)c1ccccc1 ZINC000000225957 342680676 /nfs/dbraw/zinc/68/06/76/342680676.db2.gz RFDVMOUXHKTCDO-UHFFFAOYSA-N 0 0 212.252 2.521 50 0 in-vivo BFAARN Cc1occc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000000282797 342682149 /nfs/dbraw/zinc/68/21/49/342682149.db2.gz CLSNBQPWMBPZCI-UHFFFAOYSA-N 0 0 245.234 2.569 50 0 BFAARN O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1 ZINC000000291422 342682349 /nfs/dbraw/zinc/68/23/49/342682349.db2.gz BLCWANIQKOBJEM-VIFPVBQESA-N 0 0 248.134 2.855 50 0 BFAARN COc1cc(-c2ccc(N)cc2OC)ccc1N ZINC000000299396 342682587 /nfs/dbraw/zinc/68/25/87/342682587.db2.gz PLFGCBZJCDMIGZ-UHFFFAOYSA-N 0 0 244.294 2.535 50 0 BFAARN C[C@H](NC(=O)C1CCC1)c1ccccc1 ZINC000000306861 342682837 /nfs/dbraw/zinc/68/28/37/342682837.db2.gz AVDXXYLSJRRPFH-JTQLQIEISA-N 0 0 203.285 2.664 50 0 BFAARN CC[C@@H](C)NC(=S)Nc1ccc(OC)cc1 ZINC000000306581 342682870 /nfs/dbraw/zinc/68/28/70/342682870.db2.gz QZEVNTPWJMVOPG-SECBINFHSA-N 0 0 238.356 2.780 50 0 BFAARN CC[C@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000000318988 342683383 /nfs/dbraw/zinc/68/33/83/342683383.db2.gz GFKDOXOZCHNMPU-AWEZNQCLSA-N 0 0 240.306 2.963 50 0 BFAARN CC(C)(C)N[S@@](=O)c1ccc(Cl)s1 ZINC000000337192 342683806 /nfs/dbraw/zinc/68/38/06/342683806.db2.gz AUICVSYDOCAONT-CYBMUJFWSA-N 0 0 237.777 2.812 50 0 BFAARN Cc1cccc(C(=O)Nc2ccncc2)c1 ZINC000000338606 342684030 /nfs/dbraw/zinc/68/40/30/342684030.db2.gz ROSOUTDABWNWNG-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN CC(C)C1OC(C(C)C)OC(C(C)C)O1 ZINC000000343750 342684216 /nfs/dbraw/zinc/68/42/16/342684216.db2.gz XYIANCZIPATGDH-UHFFFAOYSA-N 0 0 216.321 2.996 50 0 BFAARN COC(=O)N=c1[nH]c2cc(Cl)ccc2o1 ZINC000000344609 342684331 /nfs/dbraw/zinc/68/43/31/342684331.db2.gz GKISGNSYPQGIGD-UHFFFAOYSA-N 0 0 226.619 2.660 50 0 BFAARN Cc1cc(C)cc(NC(=S)NC(=O)C2CC2)c1 ZINC000000358915 342684560 /nfs/dbraw/zinc/68/45/60/342684560.db2.gz NVOYRZXIBNYOPS-UHFFFAOYSA-N 0 0 248.351 2.526 50 0 BFAARN Nc1ccc2[nH]c(-c3cccc(O)c3)nc2c1 ZINC000000360578 342684797 /nfs/dbraw/zinc/68/47/97/342684797.db2.gz ULADCLDYBHCFNQ-UHFFFAOYSA-N 0 0 225.251 2.518 50 0 BFAARN O=C(CCc1ccccc1)Nc1cccc(O)c1 ZINC000000363549 342685082 /nfs/dbraw/zinc/68/50/82/342685082.db2.gz QJEWKVODMGPCBV-UHFFFAOYSA-N 0 0 241.290 2.964 50 0 BFAARN Cc1c(C)c(=O)oc2c3c(ccc12)O[C@@H](C)C3 ZINC000000386231 342685585 /nfs/dbraw/zinc/68/55/85/342685585.db2.gz GWNDPSWCXFXQDZ-ZETCQYMHSA-N 0 0 230.263 2.733 50 0 BFAARN Nc1c(F)cc(Cl)cc1Br ZINC000000389787 342685774 /nfs/dbraw/zinc/68/57/74/342685774.db2.gz HBHBARSMRVAINH-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN Cc1cc(C)nc(Nc2nc3ccccc3[nH]2)n1 ZINC000000394190 342686099 /nfs/dbraw/zinc/68/60/99/342686099.db2.gz IHAVBFULRWYABW-UHFFFAOYSA-N 0 0 239.282 2.713 50 0 BFAARN CCCc1oc(C(=O)[O-])cc1C[NH+]1CCCC1 ZINC000000528429 342689379 /nfs/dbraw/zinc/68/93/79/342689379.db2.gz BEVFYPNHCDGTJQ-UHFFFAOYSA-N 0 0 237.299 2.526 50 0 BFAARN Cc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000000396225 342686338 /nfs/dbraw/zinc/68/63/38/342686338.db2.gz CQEUVINXJWQPOV-UHFFFAOYSA-N 0 0 230.267 2.910 50 0 BFAARN Cc1cc(-c2cc(Cl)ccc2N)n[nH]1 ZINC000000397202 342686352 /nfs/dbraw/zinc/68/63/52/342686352.db2.gz FCMRUSITKXDXCW-UHFFFAOYSA-N 0 0 207.664 2.621 50 0 BFAARN O=C1CCCN1c1ccccc1Br ZINC000000401191 342686434 /nfs/dbraw/zinc/68/64/34/342686434.db2.gz FXXUXPJETBQBKX-UHFFFAOYSA-N 0 0 240.100 2.576 50 0 BFAARN CC(C)CNC(=O)Nc1ccc(F)cc1F ZINC000000399157 342686479 /nfs/dbraw/zinc/68/64/79/342686479.db2.gz IXJFWJMIKHXNQE-UHFFFAOYSA-N 0 0 228.242 2.742 50 0 BFAARN CC[C@H](Oc1ccccc1)c1nnc(N)s1 ZINC000000533307 342689402 /nfs/dbraw/zinc/68/94/02/342689402.db2.gz HVKZMILXXWWZLZ-VIFPVBQESA-N 0 0 235.312 2.650 50 0 BFAARN Cc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000000405618 342686929 /nfs/dbraw/zinc/68/69/29/342686929.db2.gz UOPLDEWGEPWRMH-UHFFFAOYSA-N 0 0 247.319 2.796 50 0 BFAARN CN(C)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000000409311 342686935 /nfs/dbraw/zinc/68/69/35/342686935.db2.gz XSDSTTHDKZZVJZ-UHFFFAOYSA-N 0 0 223.275 2.964 50 0 BFAARN CC(C)C(=O)OC[C@@H](C)c1ccccc1 ZINC000000406939 342687064 /nfs/dbraw/zinc/68/70/64/342687064.db2.gz LZTCJUAHYXNKRE-LLVKDONJSA-N 0 0 206.285 2.989 50 0 endogenous,in-man BFAARN COc1cc(C=O)ccc1OCCC(C)C ZINC000000035877 342670638 /nfs/dbraw/zinc/67/06/38/342670638.db2.gz QMAVUZPWNRBYAO-UHFFFAOYSA-N 0 0 222.284 2.933 50 0 BFAARN COc1ccc(CNc2ccccn2)cc1 ZINC000000050499 342671205 /nfs/dbraw/zinc/67/12/05/342671205.db2.gz SMJGJENXFSWIMQ-UHFFFAOYSA-N 0 0 214.268 2.702 50 0 BFAARN Cc1ccc([C@H]2NC(=O)c3ccccc3O2)cc1 ZINC000000050965 342671234 /nfs/dbraw/zinc/67/12/34/342671234.db2.gz NAUIKHQOPHSUKM-HNNXBMFYSA-N 0 0 239.274 2.816 50 0 BFAARN CC(=O)Nc1c2ccccc2oc1C(C)=O ZINC000000054786 342671543 /nfs/dbraw/zinc/67/15/43/342671543.db2.gz KNEXUVWFSJOVDU-UHFFFAOYSA-N 0 0 217.224 2.594 50 0 BFAARN CN(C)c1ccc([C@H](O)c2cccs2)cc1 ZINC000000054668 342671673 /nfs/dbraw/zinc/67/16/73/342671673.db2.gz IHKZCVPNQIENBH-ZDUSSCGKSA-N 0 0 233.336 2.896 50 0 BFAARN O=[N+]([O-])/C=C/c1c(F)cccc1Cl ZINC000000056945 342671889 /nfs/dbraw/zinc/67/18/89/342671889.db2.gz JCIAIKBVPVMTBD-SNAWJCMRSA-N 0 0 201.584 2.727 50 0 BFAARN Cc1ccc(CSc2nnc(N)s2)cc1 ZINC000000065189 342672377 /nfs/dbraw/zinc/67/23/77/342672377.db2.gz XWCZGGYKJAEKML-UHFFFAOYSA-N 0 0 237.353 2.721 50 0 BFAARN CCCn1c(COC)nc2ccccc21 ZINC000000572626 342690433 /nfs/dbraw/zinc/69/04/33/342690433.db2.gz ZGPGQPGARXRATB-UHFFFAOYSA-N 0 0 204.273 2.593 50 0 BFAARN Cc1cc(C)n(C(=O)CCc2ccccc2)n1 ZINC000000587021 342690696 /nfs/dbraw/zinc/69/06/96/342690696.db2.gz KGKSYAQJNOLMMM-UHFFFAOYSA-N 0 0 228.295 2.773 50 0 BFAARN CO[C@@]1(c2ccccc2)OC(=O)c2ccccc21 ZINC000001001008 342695678 /nfs/dbraw/zinc/69/56/78/342695678.db2.gz WWROZRYLEDOUCU-HNNXBMFYSA-N 0 0 240.258 2.705 50 0 BFAARN COC(=O)c1sc(Nc2ccccc2)nc1C ZINC000001004541 342695894 /nfs/dbraw/zinc/69/58/94/342695894.db2.gz MIWAZZSIWVVADG-UHFFFAOYSA-N 0 0 248.307 2.982 50 0 BFAARN C[C@H](CC(=O)N1CCCC1)c1ccccc1 ZINC000001457004 342701440 /nfs/dbraw/zinc/70/14/40/342701440.db2.gz WKIILLABOBDSEP-GFCCVEGCSA-N 0 0 217.312 2.803 50 0 BFAARN CC(C)CCn1c(C=O)nc2ccccc21 ZINC000001470675 342701519 /nfs/dbraw/zinc/70/15/19/342701519.db2.gz WEXPRFKZZPRCKY-UHFFFAOYSA-N 0 0 216.284 2.895 50 0 BFAARN CC(C)CO[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000040521077 259316963 /nfs/dbraw/zinc/31/69/63/259316963.db2.gz RAWADCJCELJGSK-JTQLQIEISA-N 0 0 239.290 2.825 50 0 BFAARN O=Cc1ccc2cccc(Br)c2n1 ZINC000001526653 342702548 /nfs/dbraw/zinc/70/25/48/342702548.db2.gz AFDUIUOATSXDFH-UHFFFAOYSA-N 0 0 236.068 2.810 50 0 BFAARN COc1ccc2c(c1)[C@@H]1CN=C3CCCC[C@@]31O2 ZINC000096027962 342702926 /nfs/dbraw/zinc/70/29/26/342702926.db2.gz DRKPIHKTIRPCSV-WFASDCNBSA-N 0 0 243.306 2.939 50 0 BFAARN O=C1c2ccccc2N(c2ccccc2)C1=O ZINC000001657403 342707226 /nfs/dbraw/zinc/70/72/26/342707226.db2.gz UWCPWBIMRYXUOU-UHFFFAOYSA-N 0 0 223.231 2.548 50 0 biogenic,in-vivo BFAARN COc1cc(C)c(Br)c(OC)c1 ZINC000001702383 342709931 /nfs/dbraw/zinc/70/99/31/342709931.db2.gz RONRLLIJBQHXCI-UHFFFAOYSA-N 0 0 231.089 2.775 50 0 BFAARN CCCCCNC(=O)c1ccc(F)cc1 ZINC000002058289 342715496 /nfs/dbraw/zinc/71/54/96/342715496.db2.gz DICOYHMQZXAPAW-UHFFFAOYSA-N 0 0 209.264 2.746 50 0 BFAARN CCS(=O)(=O)Oc1ccc2ccccc2c1 ZINC000002057797 342715525 /nfs/dbraw/zinc/71/55/25/342715525.db2.gz QFIFKTKVBCXRND-UHFFFAOYSA-N 0 0 236.292 2.568 50 0 BFAARN CCCCO[C@@H](C)OCC(F)(F)F ZINC000002242929 342717303 /nfs/dbraw/zinc/71/73/03/342717303.db2.gz DIKMXGDAKSQQSJ-SSDOTTSWSA-N 0 0 200.200 2.728 50 0 BFAARN O=C1CCc2ccc(Br)cc2C1 ZINC000004202743 342743957 /nfs/dbraw/zinc/74/39/57/342743957.db2.gz NCTYMQMYDHAKCE-UHFFFAOYSA-N 0 0 225.085 2.507 50 0 BFAARN Cc1ccc([C@H]2SCC(=O)N2C2CC2)cc1 ZINC000004218587 342744680 /nfs/dbraw/zinc/74/46/80/342744680.db2.gz ODMVLVQZMXVTBG-CYBMUJFWSA-N 0 0 233.336 2.731 50 0 BFAARN Nc1cc(-c2cccc3ccccc32)[nH]n1 ZINC000004234613 342744834 /nfs/dbraw/zinc/74/48/34/342744834.db2.gz WREXGNDJZBDHPT-UHFFFAOYSA-N 0 0 209.252 2.812 50 0 BFAARN CSc1ccccc1-c1nnc(N)s1 ZINC000004234709 342744891 /nfs/dbraw/zinc/74/48/91/342744891.db2.gz VKNKVWYDLCCDMV-UHFFFAOYSA-N 0 0 223.326 2.509 50 0 BFAARN COc1cc(C)c(Cl)cc1-c1cc(N)n[nH]1 ZINC000004234676 342744938 /nfs/dbraw/zinc/74/49/38/342744938.db2.gz PIQWQWAIZMYHQI-UHFFFAOYSA-N 0 0 237.690 2.629 50 0 BFAARN CCCC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000004281864 342745920 /nfs/dbraw/zinc/74/59/20/342745920.db2.gz HULLTNAETDYXRC-UHFFFAOYSA-N 0 0 247.323 2.944 50 0 BFAARN Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000004298855 342746263 /nfs/dbraw/zinc/74/62/63/342746263.db2.gz GXZLMLMGZQIIEL-UHFFFAOYSA-N 0 0 223.659 2.675 50 0 BFAARN CC(C)N1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000004688023 342750417 /nfs/dbraw/zinc/75/04/17/342750417.db2.gz DHFMUPUAHPHNRG-UXBLZVDNSA-N 0 0 248.307 2.526 50 0 BFAARN O=C(c1cccc(CN2CC=CC2)c1)C1CC1 ZINC000002515424 342722082 /nfs/dbraw/zinc/72/20/82/342722082.db2.gz DYAZHYCQEZJSPG-UHFFFAOYSA-N 0 0 227.307 2.651 50 0 BFAARN COC(=O)CCCOc1ccc(Cl)cc1C ZINC000002516067 342722298 /nfs/dbraw/zinc/72/22/98/342722298.db2.gz FWDQLSHRVKQKBS-UHFFFAOYSA-N 0 0 242.702 2.980 50 0 BFAARN Nc1ccn(Cc2c(Cl)cccc2Cl)n1 ZINC000002534297 342723148 /nfs/dbraw/zinc/72/31/48/342723148.db2.gz CUAVHUBZJSMRCV-UHFFFAOYSA-N 0 0 242.109 2.820 50 0 BFAARN FC(F)c1n[nH]c(C(F)F)c1Cl ZINC000002537003 342723297 /nfs/dbraw/zinc/72/32/97/342723297.db2.gz GVNPAXKOYSBIBT-UHFFFAOYSA-N 0 0 202.538 2.938 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccccc1CO ZINC000002541559 342723491 /nfs/dbraw/zinc/72/34/91/342723491.db2.gz QQAMZZFIHGASEX-UHFFFAOYSA-N 0 0 223.272 2.526 50 0 BFAARN COC(C)(OC)c1ccccc1Br ZINC000002544773 342723633 /nfs/dbraw/zinc/72/36/33/342723633.db2.gz UYNFQWFFNQBNCL-UHFFFAOYSA-N 0 0 245.116 2.915 50 0 BFAARN COc1cc(F)ccc1Br ZINC000002541324 342723650 /nfs/dbraw/zinc/72/36/50/342723650.db2.gz KGYXKRGMSUHYCY-UHFFFAOYSA-N 0 0 205.026 2.597 50 0 BFAARN Nc1ccnc2c1cccc2C(F)(F)F ZINC000002562237 342724291 /nfs/dbraw/zinc/72/42/91/342724291.db2.gz JTMLOHYYNHRKTF-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN Nc1cc(Cl)ccc1Br ZINC000002567820 342724891 /nfs/dbraw/zinc/72/48/91/342724891.db2.gz NLEZSQHAFMZAGU-UHFFFAOYSA-N 0 0 206.470 2.685 50 0 BFAARN CC(=O)c1ccc(O)cc1C(F)(F)F ZINC000002572873 342725079 /nfs/dbraw/zinc/72/50/79/342725079.db2.gz GKBDTFVRRWGDQM-UHFFFAOYSA-N 0 0 204.147 2.614 50 0 BFAARN CCOc1cc(OCC)cc(C(C)=O)c1 ZINC000002579279 342725543 /nfs/dbraw/zinc/72/55/43/342725543.db2.gz KEJDYKMTNWEIAR-UHFFFAOYSA-N 0 0 208.257 2.687 50 0 BFAARN CC(C)(C)[C@H]1CCc2nc(N)sc2C1 ZINC000002584869 342725994 /nfs/dbraw/zinc/72/59/94/342725994.db2.gz QXRJJJPFOHTPIG-ZETCQYMHSA-N 0 0 210.346 2.876 50 0 BFAARN CCOc1cc(C=O)cc(Cl)c1OC ZINC000002767324 342727079 /nfs/dbraw/zinc/72/70/79/342727079.db2.gz KBTYBYHNPJXGES-UHFFFAOYSA-N 0 0 214.648 2.560 50 0 BFAARN CCCCN(CC)C(=O)c1ccc(OC)cc1 ZINC000002990719 342729042 /nfs/dbraw/zinc/72/90/42/342729042.db2.gz PYFBEXAGXADZGP-UHFFFAOYSA-N 0 0 235.327 2.957 50 0 BFAARN CCCCC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000003016571 342729737 /nfs/dbraw/zinc/72/97/37/342729737.db2.gz SEQRWLPILMYBIX-UHFFFAOYSA-N 0 0 241.360 2.964 50 0 BFAARN Cc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1C ZINC000006730590 178430745 /nfs/dbraw/zinc/43/07/45/178430745.db2.gz PHPBKIILYPSVTQ-TZMCWYRMSA-N 0 0 247.338 2.601 50 0 BFAARN Cc1cc(Br)n(-c2ccccc2)n1 ZINC000003164645 342731111 /nfs/dbraw/zinc/73/11/11/342731111.db2.gz CBUGJUKHYWJICM-UHFFFAOYSA-N 0 0 237.100 2.943 50 0 BFAARN CCCCCN1C(=O)c2ccc(F)cc2C1=O ZINC000003188515 342731466 /nfs/dbraw/zinc/73/14/66/342731466.db2.gz OLKBPDYZBAEUHI-UHFFFAOYSA-N 0 0 235.258 2.612 50 0 BFAARN CCOc1ccccc1NC1=N[C@@H](C)CS1 ZINC000003227234 342731559 /nfs/dbraw/zinc/73/15/59/342731559.db2.gz YEJAEBLVFZEWII-VIFPVBQESA-N 0 0 236.340 2.989 50 0 BFAARN Cc1[nH]c(=S)[nH]c1Cc1ccccc1 ZINC000003394132 342732922 /nfs/dbraw/zinc/73/29/22/342732922.db2.gz PUBLWZQCQIJQJH-UHFFFAOYSA-N 0 0 204.298 2.972 50 0 BFAARN CCCc1ccc(-c2cc(N)n[nH]2)cc1 ZINC000003886092 342738917 /nfs/dbraw/zinc/73/89/17/342738917.db2.gz ZKXPZJHRBDVHIA-UHFFFAOYSA-N 0 0 201.273 2.611 50 0 aggregator BFAARN CC[S@@](=O)c1ccc2ccccc2c1 ZINC000004761307 342751869 /nfs/dbraw/zinc/75/18/69/342751869.db2.gz VEFQTQCAYJJXIT-AWEZNQCLSA-N 0 0 204.294 2.967 50 0 BFAARN CCN(CC)C(=O)NCc1ccc(C)cc1 ZINC000004834687 342752883 /nfs/dbraw/zinc/75/28/83/342752883.db2.gz BXLZTIPSHXJKJQ-UHFFFAOYSA-N 0 0 220.316 2.546 50 0 BFAARN O=C1NC2(CCCCCC2)NN1c1ccccc1 ZINC000004839671 342753096 /nfs/dbraw/zinc/75/30/96/342753096.db2.gz QKJFGXJXDLJQOJ-UHFFFAOYSA-N 0 0 245.326 2.771 50 0 BFAARN Cc1cc(C)c(NC(=O)CN2CCCC2)c(C)c1 ZINC000004867796 342753553 /nfs/dbraw/zinc/75/35/53/342753553.db2.gz SGOVGRICILIGDQ-UHFFFAOYSA-N 0 0 246.354 2.646 50 0 BFAARN Nc1ccc2[nH]c(Cc3ccc(F)cc3)nc2c1 ZINC000004937183 342754689 /nfs/dbraw/zinc/75/46/89/342754689.db2.gz WCVOJAQWNPNHMH-UHFFFAOYSA-N 0 0 241.269 2.875 50 0 BFAARN C/C(=C\c1ccccc1)C[N@@H+]1CCCC[C@@H]1CO ZINC000004987670 342755664 /nfs/dbraw/zinc/75/56/64/342755664.db2.gz MLOARWAEWHMZBV-WSYSLRRZSA-N 0 0 245.366 2.937 50 0 BFAARN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[C@H]1C=CC(=O)O1 ZINC000005533759 342765509 /nfs/dbraw/zinc/76/55/09/342765509.db2.gz URWJVUPZIGIVFZ-FMCLSXCISA-N 0 0 238.327 2.903 50 0 BFAARN CCCc1cc(=O)[nH]c(Nc2ccc(F)cc2)n1 ZINC000005625388 342767404 /nfs/dbraw/zinc/76/74/04/342767404.db2.gz FDMYRHFIMCLVIF-UHFFFAOYSA-N 0 0 247.273 2.605 50 0 BFAARN Clc1cccc(CSc2nc[nH]n2)c1 ZINC000005737228 342769094 /nfs/dbraw/zinc/76/90/94/342769094.db2.gz NSVABKOQXLDMAX-UHFFFAOYSA-N 0 0 225.704 2.750 50 0 BFAARN CC(C)C(=O)NCc1ccccc1Cl ZINC000005726882 342769176 /nfs/dbraw/zinc/76/91/76/342769176.db2.gz SQHPDMWKOSRTGY-UHFFFAOYSA-N 0 0 211.692 2.612 50 0 BFAARN Fc1cccc(CSc2ncccn2)c1 ZINC000006331334 342776527 /nfs/dbraw/zinc/77/65/27/342776527.db2.gz JBFFEXXWGGDBCN-UHFFFAOYSA-N 0 0 220.272 2.908 50 0 BFAARN Nc1cc(Br)ccc1Cl ZINC000004716587 342750865 /nfs/dbraw/zinc/75/08/65/342750865.db2.gz UGOLEPGQWYPIBR-UHFFFAOYSA-N 0 0 206.470 2.685 50 0 BFAARN CO[C@](F)(Cl)C(Cl)(Cl)Cl ZINC000008698334 342802362 /nfs/dbraw/zinc/80/23/62/342802362.db2.gz WMHOLVCTBNVLOE-VKHMYHEASA-N 0 0 215.866 2.865 50 0 BFAARN CCCN1C(=S)N=NC1c1ccoc1C ZINC000006593836 342779781 /nfs/dbraw/zinc/77/97/81/342779781.db2.gz ZFBAFHPNZIQWDY-UHFFFAOYSA-N 0 0 223.301 2.545 50 0 BFAARN CCn1ccc(C(=O)Nc2ccc(F)cc2C)n1 ZINC000006699455 342781190 /nfs/dbraw/zinc/78/11/90/342781190.db2.gz WDWUEILVKWCHLN-UHFFFAOYSA-N 0 0 247.273 2.603 50 0 BFAARN CNC(=O)[C@H](C)Sc1ccc(C)c(C)c1 ZINC000040464743 538971437 /nfs/dbraw/zinc/97/14/37/538971437.db2.gz ZCRGTTQGQVXPJJ-JTQLQIEISA-N 0 0 223.341 2.530 50 0 BFAARN CN(C)C(=O)c1csc(-c2ccsc2)n1 ZINC000040467554 538971496 /nfs/dbraw/zinc/97/14/96/538971496.db2.gz DXMJSAMEQBQABG-UHFFFAOYSA-N 0 0 238.337 2.573 50 0 BFAARN O=C(CC1CCCC1)Nc1cccnc1 ZINC000008723386 342803532 /nfs/dbraw/zinc/80/35/32/342803532.db2.gz VEDNGKYBVCYEOY-UHFFFAOYSA-N 0 0 204.273 2.600 50 0 BFAARN CCOc1ccccc1NC(=O)C(C)C ZINC000000345133 342788189 /nfs/dbraw/zinc/78/81/89/342788189.db2.gz AUYQKNAVPJPXNB-UHFFFAOYSA-N 0 0 207.273 2.680 50 0 BFAARN Cc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000000580097 178438905 /nfs/dbraw/zinc/43/89/05/178438905.db2.gz OYNGVNWDKCBGEZ-UHFFFAOYSA-N 0 0 241.294 2.654 50 0 BFAARN Cc1c2cccc(F)c2oc1C(=O)NC1CC1 ZINC000007952860 342795075 /nfs/dbraw/zinc/79/50/75/342795075.db2.gz UPLLFPSBIXCOIR-UHFFFAOYSA-N 0 0 233.242 2.773 50 0 BFAARN CCc1ccc(C(=O)NCc2ccncc2)cc1 ZINC000008383039 342799046 /nfs/dbraw/zinc/79/90/46/342799046.db2.gz MEWZWDWJSOKBDL-UHFFFAOYSA-N 0 0 240.306 2.574 50 0 BFAARN CC(C)Oc1ccc(NC(=O)C2CC2)cc1 ZINC000008723120 342803409 /nfs/dbraw/zinc/80/34/09/342803409.db2.gz KQFMXACZHCMOSP-UHFFFAOYSA-N 0 0 219.284 2.822 50 0 BFAARN C[C@H](C1CC1)N(C)C(=O)c1ccc(F)cc1 ZINC000032907020 342799708 /nfs/dbraw/zinc/79/97/08/342799708.db2.gz CBJYLXAJUJQJDB-SECBINFHSA-N 0 0 221.275 2.696 50 0 BFAARN Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC000009338779 342813465 /nfs/dbraw/zinc/81/34/65/342813465.db2.gz KBEJBXIBRLQHSK-UHFFFAOYSA-N 0 0 244.216 2.636 50 0 BFAARN COc1cc2ncoc2c(Br)c1 ZINC000008729775 342803630 /nfs/dbraw/zinc/80/36/30/342803630.db2.gz UXGJFRVLTQFYMX-UHFFFAOYSA-N 0 0 228.045 2.599 50 0 BFAARN CON(C)C(=O)c1ccc(Cl)cc1Cl ZINC000008730008 342803792 /nfs/dbraw/zinc/80/37/92/342803792.db2.gz YVAUNJBXBZNYQJ-UHFFFAOYSA-N 0 0 234.082 2.627 50 0 BFAARN CC(C)C(=O)Nc1ccc(Cl)cc1N ZINC000008732406 342804096 /nfs/dbraw/zinc/80/40/96/342804096.db2.gz YCXWEZUJLYFKCU-UHFFFAOYSA-N 0 0 212.680 2.517 50 0 BFAARN Cc1ccc(C(=O)O[C@@H](C)c2ccccn2)o1 ZINC000073531797 178444864 /nfs/dbraw/zinc/44/48/64/178444864.db2.gz ZRKXZNSXVWAMQK-JTQLQIEISA-N 0 0 231.251 2.901 50 0 BFAARN CCc1ccc(C(=O)N2CCCC[C@H]2C)o1 ZINC000044913732 538990901 /nfs/dbraw/zinc/99/09/01/538990901.db2.gz ANDJUJOACJLXSD-SNVBAGLBSA-N 0 0 221.300 2.857 50 0 BFAARN CCN(Cc1ccco1)Cc1c(C)noc1C ZINC000042148282 361960894 /nfs/dbraw/zinc/96/08/94/361960894.db2.gz SOACPCWCIOVXAX-UHFFFAOYSA-N 0 0 234.299 2.907 50 0 BFAARN COc1ccc(C#Cc2ccccc2N)cc1 ZINC000135920134 342836381 /nfs/dbraw/zinc/83/63/81/342836381.db2.gz YAXVIURCVHCTST-UHFFFAOYSA-N 0 0 223.275 2.677 50 0 BFAARN Cc1cc(=O)c2cccc(C(F)(F)F)c2[nH]1 ZINC000011731146 342842807 /nfs/dbraw/zinc/84/28/07/342842807.db2.gz OTMHQQLVOKHQTM-UHFFFAOYSA-N 0 0 227.185 2.855 50 0 BFAARN CCCC(=O)C1=C(O)CC[C@@H](C(C)C)C1 ZINC000109253555 539027883 /nfs/dbraw/zinc/02/78/83/539027883.db2.gz YUGLCPNBZCECTO-MNOVXSKESA-N 0 0 210.317 2.997 50 0 BFAARN CC(C)c1nn2c([nH]1)c1ccccc1nc2=S ZINC000012243750 342848342 /nfs/dbraw/zinc/84/83/42/342848342.db2.gz IUGWUOSFOGGGBF-UHFFFAOYSA-N 0 0 244.323 2.690 50 0 BFAARN Cn1ccc2c1cccc2Br ZINC000012370308 342850388 /nfs/dbraw/zinc/85/03/88/342850388.db2.gz JZOSXTYDJPHXQD-UHFFFAOYSA-N 0 0 210.074 2.941 50 0 BFAARN Cn1ccc2cccc(Br)c21 ZINC000012370800 342850426 /nfs/dbraw/zinc/85/04/26/342850426.db2.gz CALOMHQMSHLUJX-UHFFFAOYSA-N 0 0 210.074 2.941 50 0 BFAARN O=C1C=C(NCc2ccco2)C2(CCCCC2)O1 ZINC000012374912 342850511 /nfs/dbraw/zinc/85/05/11/342850511.db2.gz UAPRLALETZHNAT-UHFFFAOYSA-N 0 0 247.294 2.513 50 0 BFAARN Cn1ccc2ccc(Br)cc21 ZINC000012370286 342850515 /nfs/dbraw/zinc/85/05/15/342850515.db2.gz PXHJDPPKNUGKPM-UHFFFAOYSA-N 0 0 210.074 2.941 50 0 BFAARN Cn1cc2c(n1)nc(Cl)cc2C(F)F ZINC000012398114 342851351 /nfs/dbraw/zinc/85/13/51/342851351.db2.gz ZGIPSGLHVTYXQR-UHFFFAOYSA-N 0 0 217.606 2.559 50 0 BFAARN CCCC(=O)Nc1cccc(C(=O)NC(C)C)c1 ZINC000012404191 342851622 /nfs/dbraw/zinc/85/16/22/342851622.db2.gz ASLVWJKZTXXIRM-UHFFFAOYSA-N 0 0 248.326 2.563 50 0 BFAARN Cc1ccc(NC(=O)CC(C)(C)C)nc1 ZINC000012537047 342853877 /nfs/dbraw/zinc/85/38/77/342853877.db2.gz QCVQCENTFIPYRP-UHFFFAOYSA-N 0 0 206.289 2.765 50 0 BFAARN CC[C@@H](C)NC(=O)c1cn(C)c2ccccc12 ZINC000012545119 342854248 /nfs/dbraw/zinc/85/42/48/342854248.db2.gz KWKJHZWFYPVFNI-SNVBAGLBSA-N 0 0 230.311 2.707 50 0 BFAARN CC(C)C(=O)N[C@H]1CCSc2ccccc21 ZINC000012936314 342861369 /nfs/dbraw/zinc/86/13/69/342861369.db2.gz ZGLUZJBCPVGFND-NSHDSACASA-N 0 0 235.352 2.996 50 0 BFAARN Cc1occc1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000013323301 342865780 /nfs/dbraw/zinc/86/57/80/342865780.db2.gz CHPCGLJDEDQEHS-UHFFFAOYSA-N 0 0 241.250 2.717 50 0 BFAARN Cc1onc(C(=O)Nc2cccc(F)c2)c1C ZINC000013641116 342869153 /nfs/dbraw/zinc/86/91/53/342869153.db2.gz JOMIOJGKBRDNQH-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN c1ccc(Nc2nnc(-c3ccccn3)o2)cc1 ZINC000196804115 398306588 /nfs/dbraw/zinc/30/65/88/398306588.db2.gz CSOJDZMPMIGBCH-UHFFFAOYSA-N 0 0 238.250 2.875 50 0 BFAARN CCOc1cccc(C(=O)Nc2cc(C)on2)c1 ZINC000013744250 342871141 /nfs/dbraw/zinc/87/11/41/342871141.db2.gz YYEBVIZPNIQPFL-UHFFFAOYSA-N 0 0 246.266 2.634 50 0 BFAARN O=C(CCCc1ccccc1)Nc1ccon1 ZINC000013746941 342871195 /nfs/dbraw/zinc/87/11/95/342871195.db2.gz HAORXXHAIOQCGR-UHFFFAOYSA-N 0 0 230.267 2.636 50 0 BFAARN CC(C)C(=O)NCc1nc2ccccc2s1 ZINC000012853777 342858987 /nfs/dbraw/zinc/85/89/87/342858987.db2.gz OXGZHAFQRSQVLF-UHFFFAOYSA-N 0 0 234.324 2.569 50 0 BFAARN CCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000032819481 342879105 /nfs/dbraw/zinc/87/91/05/342879105.db2.gz BYTNUEPPTXRSTN-RYUDHWBXSA-N 0 0 209.333 2.968 50 0 BFAARN Nc1nc2c(cc(Cl)cc2F)s1 ZINC000015442797 342896309 /nfs/dbraw/zinc/89/63/09/342896309.db2.gz AHFUZIIJDNCFRZ-UHFFFAOYSA-N 0 0 202.641 2.671 50 0 BFAARN CCCCC(=O)N[C@H]1CCC[C@@H](SC)C1 ZINC000096409462 398317702 /nfs/dbraw/zinc/31/77/02/398317702.db2.gz XPFIERKTXCSNAQ-WDEREUQCSA-N 0 0 229.389 2.967 50 0 BFAARN CC[C@@H](C)C(=O)OCCc1ccccc1 ZINC000014651766 342883719 /nfs/dbraw/zinc/88/37/19/342883719.db2.gz KVKKTLBBYFABAZ-LLVKDONJSA-N 0 0 206.285 2.818 50 0 endogenous,in-man BFAARN Nc1cc(Br)nc2ccccc12 ZINC000014982023 342890081 /nfs/dbraw/zinc/89/00/81/342890081.db2.gz ABCXIORVMZVFKC-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Cc1sc2nc(Cl)n3ncnc3c2c1C ZINC000015083501 342891608 /nfs/dbraw/zinc/89/16/08/342891608.db2.gz ZVQWBDDCFYSGCW-UHFFFAOYSA-N 0 0 238.703 2.609 50 0 BFAARN CC[C@@H](C)Sc1nc2nc(C)cc(C)n2n1 ZINC000015107908 342892394 /nfs/dbraw/zinc/89/23/94/342892394.db2.gz MHRJTIFANJMEBQ-SECBINFHSA-N 0 0 236.344 2.632 50 0 BFAARN Nc1ccccc1C(=O)c1ccc(F)cc1 ZINC000016158247 342907248 /nfs/dbraw/zinc/90/72/48/342907248.db2.gz FFFXIQFESQNINT-UHFFFAOYSA-N 0 0 215.227 2.639 50 0 in-vitro BFAARN CC[C@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000048199735 342900396 /nfs/dbraw/zinc/90/03/96/342900396.db2.gz TXHYQOIEZWGOTE-QWHCGFSZSA-N 0 0 239.359 2.594 50 0 BFAARN CC1(C)COC(c2ccccc2Cl)=N1 ZINC000015780481 342900842 /nfs/dbraw/zinc/90/08/42/342900842.db2.gz VOMZEVDJNHHMLC-UHFFFAOYSA-N 0 0 209.676 2.895 50 0 BFAARN Nc1ccc2[nH]c(Cc3ccccc3)nc2c1 ZINC000015953323 342903695 /nfs/dbraw/zinc/90/36/95/342903695.db2.gz MQTBODNTRQAUSK-UHFFFAOYSA-N 0 0 223.279 2.736 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccccc1C=O ZINC000016697233 342914265 /nfs/dbraw/zinc/91/42/65/342914265.db2.gz DHALMIBUKCNMLD-UHFFFAOYSA-N 0 0 221.256 2.846 50 0 BFAARN COc1cc(Cl)cc(C(C)=O)c1OC ZINC000016697491 342914498 /nfs/dbraw/zinc/91/44/98/342914498.db2.gz QTLSOFLLVYVKAD-UHFFFAOYSA-N 0 0 214.648 2.560 50 0 BFAARN COC(=O)c1oc2ccc(F)cc2c1C ZINC000016741331 342915129 /nfs/dbraw/zinc/91/51/29/342915129.db2.gz FTNLBZYRWDXDJV-UHFFFAOYSA-N 0 0 208.188 2.667 50 0 BFAARN CCCCSc1nc2ccccc2c(=O)[nH]1 ZINC000017002569 342918865 /nfs/dbraw/zinc/91/88/65/342918865.db2.gz CSRKFNCZGRRGHV-UHFFFAOYSA-N 0 0 234.324 2.815 50 0 BFAARN Cc1nnsc1NC(=O)Nc1ccc(C)cc1 ZINC000000497398 346885128 /nfs/dbraw/zinc/88/51/28/346885128.db2.gz XOLALULSGJMWKW-UHFFFAOYSA-N 0 0 248.311 2.799 50 0 BFAARN C/C(=C\c1ccc(/C=C(\C)[N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000018322876 342935993 /nfs/dbraw/zinc/93/59/93/342935993.db2.gz YDRFYIMGSXCFJK-FIFLTTCUSA-N 0 0 248.238 2.962 50 0 BFAARN Cc1ccc(C)c(C(=O)O[C@H]2CCCCC2=O)c1 ZINC000002648786 178467340 /nfs/dbraw/zinc/46/73/40/178467340.db2.gz YOYAHTYQCSAZPO-AWEZNQCLSA-N 0 0 246.306 2.972 50 0 BFAARN O=Cc1ccccc1OCCOc1ccccc1 ZINC000011886574 398339063 /nfs/dbraw/zinc/33/90/63/398339063.db2.gz YNHULWVWUZLNHR-UHFFFAOYSA-N 0 0 242.274 2.957 50 0 BFAARN CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226444971 398339680 /nfs/dbraw/zinc/33/96/80/398339680.db2.gz IABIVNTXVLRPMJ-OLZOCXBDSA-N 0 0 233.311 2.544 50 0 BFAARN CCOc1ccc(F)cc1Br ZINC000019481159 342949649 /nfs/dbraw/zinc/94/96/49/342949649.db2.gz IGEBFOLPVFBPNV-UHFFFAOYSA-N 0 0 219.053 2.987 50 0 BFAARN Nc1ccccc1C(=O)Nc1cccc(F)c1 ZINC000019675292 342953250 /nfs/dbraw/zinc/95/32/50/342953250.db2.gz UUNGQEZMZQDIKE-UHFFFAOYSA-N 0 0 230.242 2.660 50 0 BFAARN CC(C)[C@H]([NH2+]Cc1cccc(Cl)c1)C(=O)[O-] ZINC000019787754 342957789 /nfs/dbraw/zinc/95/77/89/342957789.db2.gz RQEWDLKDPJJMTM-NSHDSACASA-N 0 0 241.718 2.539 50 0 BFAARN CCOc1ccc(C=O)c2c1CCCC2 ZINC000019735460 342955260 /nfs/dbraw/zinc/95/52/60/342955260.db2.gz BONUTBXJGDBKSM-UHFFFAOYSA-N 0 0 204.269 2.777 50 0 BFAARN Nc1cccc(CSc2ccccn2)c1 ZINC000019846328 342959892 /nfs/dbraw/zinc/95/98/92/342959892.db2.gz WHWVLAXMWKZUPO-UHFFFAOYSA-N 0 0 216.309 2.956 50 0 BFAARN C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCC(=O)[O-] ZINC000116402595 187208409 /nfs/dbraw/zinc/20/84/09/187208409.db2.gz ONVKAZCNWPJCEK-OCCSQVGLSA-N 0 0 247.338 2.729 50 0 BFAARN Cc1c(N)c(O)c(Cl)c(C)c1Cl ZINC000020134810 342971135 /nfs/dbraw/zinc/97/11/35/342971135.db2.gz GTADDOTYUYZQNY-UHFFFAOYSA-N 0 0 206.072 2.898 50 0 BFAARN Fc1ccc(NCc2ccccn2)c(F)c1 ZINC000019952471 342964176 /nfs/dbraw/zinc/96/41/76/342964176.db2.gz WNIFZTLYRMLXLG-UHFFFAOYSA-N 0 0 220.222 2.972 50 0 BFAARN N[C@H](c1cc2ccccc2o1)c1ccncc1 ZINC000020592716 342991734 /nfs/dbraw/zinc/99/17/34/342991734.db2.gz UIAQKLCCGOFKLJ-AWEZNQCLSA-N 0 0 224.263 2.876 50 0 BFAARN O=C1CCCC[C@@H]1C[C@H]1CCCCC1=O ZINC000000501402 346911223 /nfs/dbraw/zinc/91/12/23/346911223.db2.gz CNVYERSDZLTUQK-GHMZBOCLSA-N 0 0 208.301 2.895 50 0 BFAARN Cc1cc(C)cc(NC(=O)Nc2ccon2)c1 ZINC000020345374 342982776 /nfs/dbraw/zinc/98/27/76/342982776.db2.gz OKMNPQSVWAZSHJ-UHFFFAOYSA-N 0 0 231.255 2.935 50 0 BFAARN Cc1cnn(-c2ccc(C(F)(F)F)cc2N)c1 ZINC000020352025 342982823 /nfs/dbraw/zinc/98/28/23/342982823.db2.gz XNXGLZQCCIRVAT-UHFFFAOYSA-N 0 0 241.216 2.782 50 0 BFAARN CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000020357622 342983121 /nfs/dbraw/zinc/98/31/21/342983121.db2.gz REHNRWSWBXHXSB-NWDGAFQWSA-N 0 0 249.310 2.690 50 0 BFAARN c1csc(CCNc2nccs2)c1 ZINC000021017074 343002567 /nfs/dbraw/zinc/00/25/67/343002567.db2.gz GVQWABCECYBSTB-UHFFFAOYSA-N 0 0 210.327 2.859 50 0 BFAARN O=C1C[C@H](c2ccccc2Cl)c2c[nH]nc2N1 ZINC000020734327 342994676 /nfs/dbraw/zinc/99/46/76/342994676.db2.gz WZLWEPLDFUVQRB-MRVPVSSYSA-N 0 0 247.685 2.537 50 0 BFAARN O=C1N=C(c2ccc(Cl)cc2)NC12CCCC2 ZINC000022113751 343039964 /nfs/dbraw/zinc/03/99/64/343039964.db2.gz ZXDSRULQZPFUDN-UHFFFAOYSA-N 0 0 248.713 2.529 50 0 BFAARN CCc1ccc(C(=O)c2cccnc2)cc1 ZINC000022121726 343040312 /nfs/dbraw/zinc/04/03/12/343040312.db2.gz CAVOJUVKQYRYSQ-UHFFFAOYSA-N 0 0 211.264 2.875 50 0 BFAARN CCCc1noc(-c2cccnc2Cl)n1 ZINC000022120296 343040421 /nfs/dbraw/zinc/04/04/21/343040421.db2.gz FKPOFIHIAQBTQM-UHFFFAOYSA-N 0 0 223.663 2.738 50 0 BFAARN CCN(c1ccc(N)cn1)C1CCCCC1 ZINC000022171970 343043234 /nfs/dbraw/zinc/04/32/34/343043234.db2.gz IDAKWHSCYIVXFC-UHFFFAOYSA-N 0 0 219.332 2.823 50 0 BFAARN CC(C)(C)c1ccc(C[NH2+]CCCC(=O)[O-])cc1 ZINC000021952870 343029642 /nfs/dbraw/zinc/02/96/42/343029642.db2.gz NBWPCHVAYWYRBP-UHFFFAOYSA-N 0 0 249.354 2.939 50 0 BFAARN Nc1ccc(Cl)cc1C(=O)Nc1ccncc1 ZINC000021953888 343029731 /nfs/dbraw/zinc/02/97/31/343029731.db2.gz OYKWUJOBUQZDIC-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN CCN(CC)C(=O)c1ccc(C)c(F)c1 ZINC000012973456 346917868 /nfs/dbraw/zinc/91/78/68/346917868.db2.gz IAEBCQWGNGZHMD-UHFFFAOYSA-N 0 0 209.264 2.616 50 0 BFAARN CCCc1ccc(-c2nc3c[nH]n(CC)c-3n2)o1 ZINC000023506714 343065584 /nfs/dbraw/zinc/06/55/84/343065584.db2.gz QCXRSEGGFATCCB-UHFFFAOYSA-N 0 0 244.298 2.992 50 0 BFAARN CC1(C)C[C@]23C(=O)CC[C@H](O)[C@]2(C)CC[C@H]13 ZINC000013298575 343077625 /nfs/dbraw/zinc/07/76/25/343077625.db2.gz UHRWOVVMQAASAO-OAACRXHESA-N 0 0 222.328 2.543 50 0 in-vitro BFAARN CC(C)(C)CC(=O)Nc1cccc(NC(N)=O)c1 ZINC000042620289 362012886 /nfs/dbraw/zinc/01/28/86/362012886.db2.gz IQKMKSYWEDKJBY-UHFFFAOYSA-N 0 0 249.314 2.552 50 0 BFAARN Cc1cc(C(=O)N(C)C2CCCC2)c(C)o1 ZINC000032845576 343102848 /nfs/dbraw/zinc/10/28/48/343102848.db2.gz NUCYSXYLAVWTPC-UHFFFAOYSA-N 0 0 221.300 2.911 50 0 BFAARN Cc1cn2nc(NCc3ccccc3)sc2n1 ZINC000026690614 343107994 /nfs/dbraw/zinc/10/79/94/343107994.db2.gz ICCKZOUKCOODRY-UHFFFAOYSA-N 0 0 244.323 2.711 50 0 BFAARN O=C(CCc1ccncc1)Nc1ccccc1 ZINC000013283702 362064795 /nfs/dbraw/zinc/06/47/95/362064795.db2.gz JTIZJUPRWVKKEM-UHFFFAOYSA-N 0 0 226.279 2.653 50 0 BFAARN COc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OC ZINC000025725947 343095140 /nfs/dbraw/zinc/09/51/40/343095140.db2.gz AYULBTLOYLJHSB-ONEGZZNKSA-N 0 0 243.646 2.605 50 0 BFAARN CCOc1ncccc1NC(=O)c1ccc(C)o1 ZINC000027512339 343117848 /nfs/dbraw/zinc/11/78/48/343117848.db2.gz ZTMYEARVHNDBSY-UHFFFAOYSA-N 0 0 246.266 2.634 50 0 BFAARN CCOc1ncccc1NC(=O)[C@@H]1CC=CCC1 ZINC000027515597 343117967 /nfs/dbraw/zinc/11/79/67/343117967.db2.gz AVNYAEIQJDRNOU-LLVKDONJSA-N 0 0 246.310 2.775 50 0 BFAARN Nc1ccc(F)c(C(=O)c2ccccc2)c1 ZINC000039219470 343122458 /nfs/dbraw/zinc/12/24/58/343122458.db2.gz STDHQJBAEFBIRB-UHFFFAOYSA-N 0 0 215.227 2.639 50 0 BFAARN CC(C)Oc1ccccc1C[NH2+]C1CSC1 ZINC000309310160 343128881 /nfs/dbraw/zinc/12/88/81/343128881.db2.gz BRADQBUENSIQFS-UHFFFAOYSA-N 0 0 237.368 2.679 50 0 BFAARN CCCc1cc(C(=O)N2CCCC[C@@H]2CC)[nH]n1 ZINC000029506144 343142148 /nfs/dbraw/zinc/14/21/48/343142148.db2.gz YVOPTNRRFRASRI-LBPRGKRZSA-N 0 0 249.358 2.767 50 0 BFAARN CC(=O)c1c(Cl)n(C)nc1-c1ccccc1 ZINC000000167949 187244481 /nfs/dbraw/zinc/24/44/81/187244481.db2.gz QUYJIVOXWJTSHH-UHFFFAOYSA-N 0 0 234.686 2.943 50 0 BFAARN COc1ccc(C[NH+]2CCCCC2)c(OC)c1 ZINC000000214376 187244498 /nfs/dbraw/zinc/24/44/98/187244498.db2.gz QCSAJYRIXMFUOO-UHFFFAOYSA-N 0 0 235.327 2.690 50 0 BFAARN C/C=C/c1cc(OC)c(OC)cc1OC ZINC000000056550 187244560 /nfs/dbraw/zinc/24/45/60/187244560.db2.gz RKFAZBXYICVSKP-AATRIKPKSA-N 0 0 208.257 2.746 50 0 endogenous,in-man BFAARN CCc1ccc(C(=O)C(F)(F)F)cc1 ZINC000002378555 187245495 /nfs/dbraw/zinc/24/54/95/187245495.db2.gz ISFVKKPXBGQFRW-UHFFFAOYSA-N 0 0 202.175 2.994 50 0 BFAARN Cc1ccc(C)c(CC(=O)Nc2cccnc2)c1 ZINC000030753490 343197511 /nfs/dbraw/zinc/19/75/11/343197511.db2.gz QTPFIAXIFGRGMD-UHFFFAOYSA-N 0 0 240.306 2.880 50 0 BFAARN CC(=O)Nc1cc(C)ccc1Br ZINC000003227415 187245823 /nfs/dbraw/zinc/24/58/23/187245823.db2.gz SRJOJXJRVGYFMM-UHFFFAOYSA-N 0 0 228.089 2.716 50 0 BFAARN COc1ncc(Br)cc1Cl ZINC000002539918 187246248 /nfs/dbraw/zinc/24/62/48/187246248.db2.gz XCHXNAQRMMXBGN-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN Cc1ccc(SCCNC(=O)C(C)C)cc1 ZINC000002836188 187246307 /nfs/dbraw/zinc/24/63/07/187246307.db2.gz KCTSNIIRGUHLAC-UHFFFAOYSA-N 0 0 237.368 2.859 50 0 BFAARN CC(C)(C)c1ccc(Cn2nccc2N)cc1 ZINC000004207365 187246780 /nfs/dbraw/zinc/24/67/80/187246780.db2.gz AVDQVRFFOMTZJH-UHFFFAOYSA-N 0 0 229.327 2.811 50 0 BFAARN Cc1nsc(N[C@H](C)c2cncc(F)c2)n1 ZINC000309824366 136275076 /nfs/dbraw/zinc/27/50/76/136275076.db2.gz XBFUBNURBFECLJ-ZCFIWIBFSA-N 0 0 238.291 2.554 50 0 BFAARN CC1(C)OC(c2ccc(N)cc2)OC1(C)C ZINC000005523089 187247703 /nfs/dbraw/zinc/24/77/03/187247703.db2.gz VGSFQOQXAQWYKT-UHFFFAOYSA-N 0 0 221.300 2.871 50 0 BFAARN COc1ccc(CNc2ccccc2N)cc1 ZINC000000124768 187244593 /nfs/dbraw/zinc/24/45/93/187244593.db2.gz WLHZVTMHNONISE-UHFFFAOYSA-N 0 0 228.295 2.890 50 0 BFAARN COc1ccc(C(=O)c2ccccc2)cc1N ZINC000032015321 343228774 /nfs/dbraw/zinc/22/87/74/343228774.db2.gz HFDAZGAPCQRKEV-UHFFFAOYSA-N 0 0 227.263 2.508 50 0 BFAARN S=C1N=NC(Nc2ccccc2)S1 ZINC000013114103 187250857 /nfs/dbraw/zinc/25/08/57/187250857.db2.gz BOJLJKMUGYYKCZ-UHFFFAOYSA-N 0 0 209.299 2.570 50 0 BFAARN CC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000013331529 187250923 /nfs/dbraw/zinc/25/09/23/187250923.db2.gz IUTPSVNWIWQIDX-UHFFFAOYSA-N 0 0 220.659 2.728 50 0 BFAARN CC(C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000032592833 343238329 /nfs/dbraw/zinc/23/83/29/343238329.db2.gz XQFFSEWWEHQHEP-UHFFFAOYSA-N 0 0 229.283 2.671 50 0 BFAARN CCc1cc(-c2cnn(C)c2)ccc1NC(C)=O ZINC000032592980 343238723 /nfs/dbraw/zinc/23/87/23/343238723.db2.gz DDMDLQFQLLYXLF-UHFFFAOYSA-N 0 0 243.310 2.608 50 0 BFAARN Cc1nc(C)c(C(=O)Nc2ccc(C)cn2)s1 ZINC000048314103 343241239 /nfs/dbraw/zinc/24/12/39/343241239.db2.gz YGGCICGRCDQKJL-UHFFFAOYSA-N 0 0 247.323 2.716 50 0 BFAARN CCCc1cc(C(=O)N2CCC2)sc1C ZINC000032731935 343241470 /nfs/dbraw/zinc/24/14/70/343241470.db2.gz PBSCSKIIKYUPMR-UHFFFAOYSA-N 0 0 223.341 2.855 50 0 BFAARN CSc1nc2cc(Br)cnc2o1 ZINC000038844833 343242165 /nfs/dbraw/zinc/24/21/65/343242165.db2.gz QTKKZLFHPUYYGY-UHFFFAOYSA-N 0 0 245.101 2.707 50 0 BFAARN CSc1nnc(-c2ccccc2C)n1C ZINC000032944897 343245011 /nfs/dbraw/zinc/24/50/11/343245011.db2.gz OYKGGUKXCGUENV-UHFFFAOYSA-N 0 0 219.313 2.512 50 0 BFAARN O=C(OCc1ccc(F)cc1)[C@@H]1CCCS1 ZINC000072305098 343245595 /nfs/dbraw/zinc/24/55/95/343245595.db2.gz YISXOLPNUQRNDJ-NSHDSACASA-N 0 0 240.299 2.765 50 0 BFAARN O=C(OCc1ccc(F)cc1)[C@H]1CCCS1 ZINC000072305099 343245618 /nfs/dbraw/zinc/24/56/18/343245618.db2.gz YISXOLPNUQRNDJ-LLVKDONJSA-N 0 0 240.299 2.765 50 0 BFAARN O=C([C@H]1CC=CCC1)N1CCc2ccccc21 ZINC000032999923 343246059 /nfs/dbraw/zinc/24/60/59/343246059.db2.gz MUMRQXCLHUXEPC-ZDUSSCGKSA-N 0 0 227.307 2.932 50 0 BFAARN S=C1N=NC(NCCc2cccs2)S1 ZINC000012504981 187250248 /nfs/dbraw/zinc/25/02/48/187250248.db2.gz FTFAPWVWFHWHGG-UHFFFAOYSA-N 0 0 243.382 2.543 50 0 BFAARN Cc1ccc(CNC(=O)c2ccoc2)s1 ZINC000048345695 343249367 /nfs/dbraw/zinc/24/93/67/343249367.db2.gz RDUDJGNDFVEGBP-UHFFFAOYSA-N 0 0 221.281 2.580 50 0 BFAARN Cc1cccc(-c2nnc3ccc(Cl)nn32)c1 ZINC000033268221 343250169 /nfs/dbraw/zinc/25/01/69/343250169.db2.gz CYXIEKHYQSGBEC-UHFFFAOYSA-N 0 0 244.685 2.753 50 0 BFAARN Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCO1 ZINC000013019752 187250449 /nfs/dbraw/zinc/25/04/49/187250449.db2.gz FWGQNVBLDOZHLS-LLVKDONJSA-N 0 0 239.702 2.766 50 0 BFAARN CC(C)(Oc1ccc(Cl)cc1Cl)C(N)=O ZINC000012381163 187250498 /nfs/dbraw/zinc/25/04/98/187250498.db2.gz PDPLUQJVJZGZQQ-UHFFFAOYSA-N 0 0 248.109 2.636 50 0 BFAARN CC(=O)Cc1ccccc1C(F)(F)F ZINC000034087438 343264081 /nfs/dbraw/zinc/26/40/81/343264081.db2.gz HEGSHYHOLHYKHD-UHFFFAOYSA-N 0 0 202.175 2.837 50 0 BFAARN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)c(F)c1 ZINC000032960654 343264739 /nfs/dbraw/zinc/26/47/39/343264739.db2.gz UVQQBXXBCAUDRX-DTWKUNHWSA-N 0 0 207.248 2.729 50 0 BFAARN COc1cc(C)c(Br)cc1OC ZINC000034109303 343264770 /nfs/dbraw/zinc/26/47/70/343264770.db2.gz KVLMMRAXLYFCNY-UHFFFAOYSA-N 0 0 231.089 2.775 50 0 BFAARN CCc1c(Cl)nnc(Cl)c1CC ZINC000034143553 343265633 /nfs/dbraw/zinc/26/56/33/343265633.db2.gz NSDLGPQCQNDHHB-UHFFFAOYSA-N 0 0 205.088 2.908 50 0 BFAARN COc1cc(Cl)c(C=O)c(Cl)c1 ZINC000034362831 343268487 /nfs/dbraw/zinc/26/84/87/343268487.db2.gz VOYUCTPCAWSYTF-UHFFFAOYSA-N 0 0 205.040 2.815 50 0 BFAARN O=S(c1ccsc1)c1ccsc1 ZINC000000508074 343269965 /nfs/dbraw/zinc/26/99/65/343269965.db2.gz QJVZDTAKRCRXHY-UHFFFAOYSA-N 0 0 214.336 2.976 50 0 BFAARN CC(C)c1noc(CSc2ccncc2)n1 ZINC000020293747 343271986 /nfs/dbraw/zinc/27/19/86/343271986.db2.gz KNISBXLOTPHYQB-UHFFFAOYSA-N 0 0 235.312 2.880 50 0 BFAARN CC[C@@H]1S[C@H](C)C[C@@H](OC(C)=O)[C@@H]1C ZINC000022015466 343272077 /nfs/dbraw/zinc/27/20/77/343272077.db2.gz JWSCWDYIUHOXAJ-MKHNBGRSSA-N 0 0 216.346 2.858 50 0 BFAARN Cc1cc(=O)[nH]c2ccc(-c3cccnc3)cc12 ZINC000026184468 343275043 /nfs/dbraw/zinc/27/50/43/343275043.db2.gz HXIMBQGWYHZWHH-UHFFFAOYSA-N 0 0 236.274 2.899 50 0 BFAARN Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000019430337 187251838 /nfs/dbraw/zinc/25/18/38/187251838.db2.gz DMELUAJRVWGKHW-UHFFFAOYSA-N 0 0 227.242 2.951 50 0 BFAARN Nc1ncc(-c2c[nH]c3ccccc23)s1 ZINC000034925344 343280299 /nfs/dbraw/zinc/28/02/99/343280299.db2.gz LNABUUAHFCFGIE-UHFFFAOYSA-N 0 0 215.281 2.874 50 0 BFAARN CCc1cc(=O)n(-c2cccc(Cl)c2)[nH]1 ZINC000034937027 343281468 /nfs/dbraw/zinc/28/14/68/343281468.db2.gz WTRGVMLNMOZMIF-UHFFFAOYSA-N 0 0 222.675 2.843 50 0 BFAARN C=CC(=O)Nc1ccc(Br)cc1F ZINC000034959321 343281803 /nfs/dbraw/zinc/28/18/03/343281803.db2.gz AQHUTGPQKUXLNR-UHFFFAOYSA-N 0 0 244.063 2.713 50 0 BFAARN Nc1cc(C(F)(F)F)nc2ccccc12 ZINC000036533602 343320143 /nfs/dbraw/zinc/32/01/43/343320143.db2.gz LDALBEJGMLUINP-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN Fc1cccc(-c2nnc3ccc(Cl)nn32)c1 ZINC000036903787 343327141 /nfs/dbraw/zinc/32/71/41/343327141.db2.gz GHWZNGPMUKVBLK-UHFFFAOYSA-N 0 0 248.648 2.584 50 0 BFAARN CC(=O)c1ccc(O[C@@H]2CCCCO2)cc1 ZINC000026522374 187254648 /nfs/dbraw/zinc/25/46/48/187254648.db2.gz FOSIJJWHNJBMAA-CYBMUJFWSA-N 0 0 220.268 2.795 50 0 BFAARN Cc1cnc(Cl)cc1Br ZINC000035569819 343298066 /nfs/dbraw/zinc/29/80/66/343298066.db2.gz QGMCCRKFZDLEBP-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN CC(=O)c1c(C)nc2cc(Cl)ccc2c1N ZINC000019932184 187253467 /nfs/dbraw/zinc/25/34/67/187253467.db2.gz LMYIWLSXMMTSFK-UHFFFAOYSA-N 0 0 234.686 2.981 50 0 BFAARN C[C@@H](Cc1ccccc1F)C(=O)N1CCCC1 ZINC000036172720 343311505 /nfs/dbraw/zinc/31/15/05/343311505.db2.gz JXBAOMXOWZYGRZ-NSHDSACASA-N 0 0 235.302 2.627 50 0 BFAARN CC(C)n1c2ccccc2nc1CCCO ZINC000038141328 343372313 /nfs/dbraw/zinc/37/23/13/343372313.db2.gz ZABSZGJFACXKLA-UHFFFAOYSA-N 0 0 218.300 2.542 50 0 BFAARN Cc1nc(Cl)c2cc(F)c(F)cc2n1 ZINC000038534268 343376368 /nfs/dbraw/zinc/37/63/68/343376368.db2.gz MKFBKSMJOVROCD-UHFFFAOYSA-N 0 0 214.602 2.870 50 0 BFAARN COC(=O)c1cnoc1-c1cccc(Cl)c1 ZINC000038537179 343376624 /nfs/dbraw/zinc/37/66/24/343376624.db2.gz IQMQZQIJFOAHQN-UHFFFAOYSA-N 0 0 237.642 2.782 50 0 BFAARN N[C@H](c1cccc(Cl)c1)C(F)(F)F ZINC000038540722 343376863 /nfs/dbraw/zinc/37/68/63/343376863.db2.gz VWKRJAXYSCHDKI-SSDOTTSWSA-N 0 0 209.598 2.902 50 0 BFAARN CC(=O)Nc1cc(Br)ccc1C ZINC000037415555 343345250 /nfs/dbraw/zinc/34/52/50/343345250.db2.gz HCSKOFDCUTVQKW-UHFFFAOYSA-N 0 0 228.089 2.716 50 0 BFAARN CC(C)(C)OC(=O)c1ccc(Cl)c(N)c1 ZINC000037729905 343352807 /nfs/dbraw/zinc/35/28/07/343352807.db2.gz IUDMCRKDUAROBE-UHFFFAOYSA-N 0 0 227.691 2.878 50 0 BFAARN COc1cc(C(C)=O)ccc1OCC(F)F ZINC000037755994 343353491 /nfs/dbraw/zinc/35/34/91/343353491.db2.gz UMQXAQBNOVKYLW-UHFFFAOYSA-N 0 0 230.210 2.542 50 0 BFAARN COCc1ccccc1C(=O)NC1CCCC1 ZINC000031874143 187256860 /nfs/dbraw/zinc/25/68/60/187256860.db2.gz QUVNSUBYDZRRDJ-UHFFFAOYSA-N 0 0 233.311 2.505 50 0 BFAARN CSc1ccc(C)c(C(=O)Nc2cn[nH]c2)c1 ZINC000035237953 187258080 /nfs/dbraw/zinc/25/80/80/187258080.db2.gz UILJIXCDYVAZSD-UHFFFAOYSA-N 0 0 247.323 2.692 50 0 BFAARN O=C(Nc1ccc(F)c(F)c1F)C1=CCC1 ZINC000335669072 136312381 /nfs/dbraw/zinc/31/23/81/136312381.db2.gz HKAJQRPGPWUJQZ-UHFFFAOYSA-N 0 0 227.185 2.763 50 0 BFAARN Nc1ccc(Oc2ccccc2)cc1N ZINC000039149142 343386388 /nfs/dbraw/zinc/38/63/88/343386388.db2.gz FJVIHKKXPLPDSV-UHFFFAOYSA-N 0 0 200.241 2.643 50 0 BFAARN Nc1ccc([C@@H]2OCCc3ccccc32)cc1 ZINC000039345812 343389083 /nfs/dbraw/zinc/38/90/83/343389083.db2.gz MULCWBNXWABNJA-HNNXBMFYSA-N 0 0 225.291 2.931 50 0 BFAARN O=C1Cc2cccc(-c3ccccc3)c2N1 ZINC000039477976 343389970 /nfs/dbraw/zinc/38/99/70/343389970.db2.gz DHNTXCXASWDHPF-UHFFFAOYSA-N 0 0 209.248 2.848 50 0 BFAARN Cc1occc1-c1nn2c(nnc2C(C)C)s1 ZINC000040266284 343399893 /nfs/dbraw/zinc/39/98/93/343399893.db2.gz MQJOUYPIPVBIEI-UHFFFAOYSA-N 0 0 248.311 2.878 50 0 BFAARN Cc1ccc2nc(C)cc(C(=O)NC3CC3)c2c1 ZINC000033002049 343423952 /nfs/dbraw/zinc/42/39/52/343423952.db2.gz NVNSFSZFVRMANL-UHFFFAOYSA-N 0 0 240.306 2.744 50 0 BFAARN Cc1cc(C)cc(OCC(=O)NC(C)(C)C)c1 ZINC000041104098 343415307 /nfs/dbraw/zinc/41/53/07/343415307.db2.gz GTOHHOPGMWHCLG-UHFFFAOYSA-N 0 0 235.327 2.597 50 0 BFAARN Cc1cc(C(=O)N(C)C2CCCCCC2)[nH]n1 ZINC000048688141 343419026 /nfs/dbraw/zinc/41/90/26/343419026.db2.gz ZMUJVMXHEJWZMG-UHFFFAOYSA-N 0 0 235.331 2.513 50 0 BFAARN Nc1cc(-c2cc3ccccc3s2)[nH]n1 ZINC000042431937 343436879 /nfs/dbraw/zinc/43/68/79/343436879.db2.gz HBUYTDMBPRZSLZ-UHFFFAOYSA-N 0 0 215.281 2.874 50 0 BFAARN CC(C)c1cc(C(=O)N2CCCC[C@@H]2C)no1 ZINC000013363743 362221678 /nfs/dbraw/zinc/22/16/78/362221678.db2.gz NEVSYFDYTVDZSW-JTQLQIEISA-N 0 0 236.315 2.813 50 0 BFAARN Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)[O-])cc1 ZINC000262671203 136374618 /nfs/dbraw/zinc/37/46/18/136374618.db2.gz RRXZMDYELSYBEX-KBPBESRZSA-N 0 0 247.338 2.648 50 0 BFAARN CSc1cccc2sc(NC(C)=O)nc21 ZINC000005299206 346941650 /nfs/dbraw/zinc/94/16/50/346941650.db2.gz WGCYIOOTVWEPDK-UHFFFAOYSA-N 0 0 238.337 2.977 50 0 BFAARN O=C1CC[C@]2(CCCC[C@@H]2c2ccccc2)N1 ZINC000044124802 343491735 /nfs/dbraw/zinc/49/17/35/343491735.db2.gz SNDDYBGPSCGBOE-HIFRSBDPSA-N 0 0 229.323 2.993 50 0 BFAARN Fc1ccc(C2OCCO2)c(Cl)c1 ZINC000044228036 343496217 /nfs/dbraw/zinc/49/62/17/343496217.db2.gz DLYXMBDBBITZSQ-UHFFFAOYSA-N 0 0 202.612 2.525 50 0 BFAARN O=C(c1ccccn1)c1c(F)cccc1F ZINC000043210491 343465934 /nfs/dbraw/zinc/46/59/34/343465934.db2.gz HSAZQRAHMBHWJA-UHFFFAOYSA-N 0 0 219.190 2.591 50 0 BFAARN Fc1cccc(-c2nsc(Cl)n2)c1 ZINC000043220552 343466478 /nfs/dbraw/zinc/46/64/78/343466478.db2.gz MCYDZBILUHBASQ-UHFFFAOYSA-N 0 0 214.652 2.998 50 0 BFAARN Clc1nc2[nH]ccc2cc1Br ZINC000044713369 343512488 /nfs/dbraw/zinc/51/24/88/343512488.db2.gz GRDJQIJVCMSPFF-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Cc1ccc2[nH]c(SC(=O)N(C)C)nc2c1 ZINC000044790645 343514502 /nfs/dbraw/zinc/51/45/02/343514502.db2.gz XDWIWDCTKXKOCS-UHFFFAOYSA-N 0 0 235.312 2.645 50 0 BFAARN O=C(Nc1nc(C(F)(F)F)cs1)C1CC1 ZINC000040088001 187262815 /nfs/dbraw/zinc/26/28/15/187262815.db2.gz YBHROGWKBQLKCE-UHFFFAOYSA-N 0 0 236.218 2.510 50 0 BFAARN Cn1ccnc1-c1ccc(Br)cc1 ZINC000039150958 187263128 /nfs/dbraw/zinc/26/31/28/187263128.db2.gz CUFBERNCIVESMY-UHFFFAOYSA-N 0 0 237.100 2.850 50 0 BFAARN Cc1ccc(C(=O)c2ccccc2F)nc1 ZINC000045028534 343521563 /nfs/dbraw/zinc/52/15/63/343521563.db2.gz RLQKXSGPDWBSPW-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN CCCCOc1ccc(-c2ccc(=O)[nH]n2)cc1 ZINC000045918697 343535433 /nfs/dbraw/zinc/53/54/33/343535433.db2.gz CZDXBRXKRHVHQY-UHFFFAOYSA-N 0 0 244.294 2.616 50 0 BFAARN Cc1cnc(-c2ccc3c(c2)CCC3=O)nc1 ZINC000118910136 343545542 /nfs/dbraw/zinc/54/55/42/343545542.db2.gz ABKURTAHPJAFHS-UHFFFAOYSA-N 0 0 224.263 2.581 50 0 BFAARN CC(C)(C)c1ccc(CCCC(N)=O)cc1 ZINC000041233016 187265275 /nfs/dbraw/zinc/26/52/75/187265275.db2.gz YJHNBTQIAMEZFH-UHFFFAOYSA-N 0 0 219.328 2.792 50 0 BFAARN Fc1ccc(F)c(NCCCn2ccnc2)c1 ZINC000049327673 343595357 /nfs/dbraw/zinc/59/53/57/343595357.db2.gz CSNBQWKDKHQADT-UHFFFAOYSA-N 0 0 237.253 2.664 50 0 BFAARN CC(C)Cc1noc(CN2CCCC[C@@H]2C)n1 ZINC000040490051 187264472 /nfs/dbraw/zinc/26/44/72/187264472.db2.gz CIPXVKBTBGAKAF-NSHDSACASA-N 0 0 237.347 2.643 50 0 BFAARN CCn1nccc1C(=O)Nc1cc(C)ccc1C ZINC000013699184 343627349 /nfs/dbraw/zinc/62/73/49/343627349.db2.gz NSCUMPUQZAPMIJ-UHFFFAOYSA-N 0 0 243.310 2.772 50 0 BFAARN C[C@@H]1Oc2cc(Cl)cc(Cl)c2C1=O ZINC000043633269 343631883 /nfs/dbraw/zinc/63/18/83/343631883.db2.gz BFNCFKZINSTEPA-BYPYZUCNSA-N 0 0 217.051 2.957 50 0 BFAARN CC(C)(C)Nc1c(N)c(=O)oc2ccccc21 ZINC000013771870 343658193 /nfs/dbraw/zinc/65/81/93/343658193.db2.gz ITEZBZVSGUBGSI-UHFFFAOYSA-N 0 0 232.283 2.586 50 0 BFAARN Cc1ccsc1C(=O)N(C)Cc1ccncc1 ZINC000046045725 187269491 /nfs/dbraw/zinc/26/94/91/187269491.db2.gz BTLSXYPUIFNEBK-UHFFFAOYSA-N 0 0 246.335 2.724 50 0 BFAARN Cc1ccnc(C(=O)c2cccc(F)c2)c1 ZINC000045028598 187269652 /nfs/dbraw/zinc/26/96/52/187269652.db2.gz XTHZWVPINSJEBV-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN CSc1ccc(-c2noc(CC(C)=O)n2)cc1 ZINC000045918718 187269707 /nfs/dbraw/zinc/26/97/07/187269707.db2.gz FUORYDMJOQYUPV-UHFFFAOYSA-N 0 0 248.307 2.590 50 0 BFAARN CC[C@@H](SC[C@H](C)c1ccccc1)C(N)=O ZINC000096496218 343753293 /nfs/dbraw/zinc/75/32/93/343753293.db2.gz XHXWFWMXSCAPCI-CMPLNLGQSA-N 0 0 237.368 2.787 50 0 BFAARN CC[C@@H](O)Cn1ccnc1-c1sccc1C ZINC000065399334 343779648 /nfs/dbraw/zinc/77/96/48/343779648.db2.gz QRQKPNMURMHANE-SNVBAGLBSA-N 0 0 236.340 2.691 50 0 BFAARN CC(C)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000000525897 346977784 /nfs/dbraw/zinc/97/77/84/346977784.db2.gz YAVXCXOFYMZNSV-UHFFFAOYSA-N 0 0 242.322 2.709 50 0 biogenic BFAARN Cc1cccc(OCc2nnc(C3CC3)[nH]2)c1 ZINC000065536495 187273560 /nfs/dbraw/zinc/27/35/60/187273560.db2.gz JMXMVLJOFPVVBY-UHFFFAOYSA-N 0 0 229.283 2.570 50 0 BFAARN O=C(C[C@H]1C=CCC1)N1CCC(CF)CC1 ZINC000334543127 343891155 /nfs/dbraw/zinc/89/11/55/343891155.db2.gz FSCNRHPRYDYCDV-NSHDSACASA-N 0 0 225.307 2.551 50 0 BFAARN Cc1ccc2nc(-c3cccs3)[nH]c(=O)c2c1 ZINC000077257205 187280002 /nfs/dbraw/zinc/28/00/02/187280002.db2.gz FUYXHSRHNVHODC-UHFFFAOYSA-N 0 0 242.303 2.960 50 0 BFAARN Cc1cnc(NC(=O)c2cccc(F)c2)s1 ZINC000004694966 343965222 /nfs/dbraw/zinc/96/52/22/343965222.db2.gz WKMJOSFDUDVUAI-UHFFFAOYSA-N 0 0 236.271 2.843 50 0 BFAARN C=CC(=O)OC12CC3CC(CC(C3)C1)C2 ZINC000085210710 187285783 /nfs/dbraw/zinc/28/57/83/187285783.db2.gz PHPRWKJDGHSJMI-UHFFFAOYSA-N 0 0 206.285 2.684 50 0 BFAARN C[C@@H]1CCCCCN1C(=O)c1cccc(N)c1 ZINC000070407717 187358275 /nfs/dbraw/zinc/35/82/75/187358275.db2.gz LVQHWDNJBMOXJK-LLVKDONJSA-N 0 0 232.327 2.674 50 0 BFAARN CC(C)CCc1nnc(NCc2cccnc2)o1 ZINC000097231407 344102451 /nfs/dbraw/zinc/10/24/51/344102451.db2.gz DSCXRJROZVBGBY-UHFFFAOYSA-N 0 0 246.314 2.665 50 0 BFAARN COC=C1CC[NH+](Cc2ccccc2)CC1 ZINC000034441017 344141135 /nfs/dbraw/zinc/14/11/35/344141135.db2.gz YQZVOVYOPOXREH-UHFFFAOYSA-N 0 0 217.312 2.813 50 0 BFAARN C/C(=C(/F)C(=O)Nc1ccc(O)cc1)C1CC1 ZINC000585134357 344146967 /nfs/dbraw/zinc/14/69/67/344146967.db2.gz PDEHIUYBAWKASM-WQLSENKSSA-N 0 0 235.258 2.984 50 0 BFAARN CC(C)CCn1ccc(C(F)(F)F)n1 ZINC000085020420 344201321 /nfs/dbraw/zinc/20/13/21/344201321.db2.gz JWCMPBUFQYDICU-UHFFFAOYSA-N 0 0 206.211 2.948 50 0 BFAARN Cc1ccc(C[C@H](C)[N@H+](C)CCCC(=O)[O-])cc1 ZINC000151134189 178651687 /nfs/dbraw/zinc/65/16/87/178651687.db2.gz OWUOJFAABYKZLO-ZDUSSCGKSA-N 0 0 249.354 2.723 50 0 BFAARN Nc1ccccc1[C@H]1CC1(Cl)Cl ZINC000000093764 344331910 /nfs/dbraw/zinc/33/19/10/344331910.db2.gz SZUWLNKLJNVARV-SSDOTTSWSA-N 0 0 202.084 2.930 50 0 BFAARN COc1cc(C(=O)Nc2nccs2)ccc1C ZINC000014129175 344437351 /nfs/dbraw/zinc/43/73/51/344437351.db2.gz JHVGZCWTHHWMCY-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 BFAARN CC(=O)Nc1nc(-c2cc(C)oc2C)cs1 ZINC000048750280 344431097 /nfs/dbraw/zinc/43/10/97/344431097.db2.gz FHCGPZFWQJPYAQ-UHFFFAOYSA-N 0 0 236.296 2.978 50 0 BFAARN CCCCOc1ccc(F)c(C=O)c1F ZINC000098210677 344407660 /nfs/dbraw/zinc/40/76/60/344407660.db2.gz CXTJKVXHNSIYFN-UHFFFAOYSA-N 0 0 214.211 2.956 50 0 BFAARN CCCCC(=O)N[C@H](C)Cc1ccsc1 ZINC000084740880 344469744 /nfs/dbraw/zinc/46/97/44/344469744.db2.gz ULOQIQFUUOYGCB-SNVBAGLBSA-N 0 0 225.357 2.986 50 0 BFAARN CC(C)c1ccc(NC(=O)c2cnsn2)cc1 ZINC000000151275 344572079 /nfs/dbraw/zinc/57/20/79/344572079.db2.gz BJBYOYISQNVXLO-UHFFFAOYSA-N 0 0 247.323 2.914 50 0 BFAARN C/C=C\CS[C@H](C)C(=O)NC1CCCC1 ZINC000104100089 187291491 /nfs/dbraw/zinc/29/14/91/187291491.db2.gz SVASQDZITJCGJW-UMBAGQNISA-N 0 0 227.373 2.743 50 0 BFAARN Cc1ccc2nsnc2c1NC(=O)C(C)C ZINC000000122522 344556269 /nfs/dbraw/zinc/55/62/69/344556269.db2.gz QSDWCFZWVBSQFF-UHFFFAOYSA-N 0 0 235.312 2.594 50 0 BFAARN CC(=O)Nc1nc(C=C(Cl)Cl)cs1 ZINC000000141077 344565084 /nfs/dbraw/zinc/56/50/84/344565084.db2.gz WXVRSTBYPGEQHA-UHFFFAOYSA-N 0 0 237.111 2.878 50 0 BFAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCCC1 ZINC000000139518 344565279 /nfs/dbraw/zinc/56/52/79/344565279.db2.gz NASITTYCVFEAGM-UHFFFAOYSA-N 0 0 243.228 2.941 50 0 BFAARN Cc1ccc(I)cc1C ZINC000002168476 178693133 /nfs/dbraw/zinc/69/31/33/178693133.db2.gz CSFRCLYFVINMBZ-UHFFFAOYSA-N 0 0 232.064 2.908 50 0 BFAARN COc1ccccc1NC(=O)Cc1cccs1 ZINC000000272348 344672500 /nfs/dbraw/zinc/67/25/00/344672500.db2.gz MUJSOOINJUNXNQ-UHFFFAOYSA-N 0 0 247.319 2.938 50 0 BFAARN CC(=O)N(C(C)=O)c1ccc(-c2ccco2)cc1 ZINC000000210146 344641960 /nfs/dbraw/zinc/64/19/60/344641960.db2.gz JHKKIACAJLEWIE-UHFFFAOYSA-N 0 0 243.262 2.846 50 0 BFAARN C[C@H](CCc1ccccc1)NC(=O)C1CCC1 ZINC000000355196 344725177 /nfs/dbraw/zinc/72/51/77/344725177.db2.gz BYTBXSLNEMXMLG-GFCCVEGCSA-N 0 0 231.339 2.924 50 0 BFAARN Cc1ccc(N)c(OCc2ccco2)c1 ZINC000014629694 178704371 /nfs/dbraw/zinc/70/43/71/178704371.db2.gz KDBHMFDZENNEMR-UHFFFAOYSA-N 0 0 203.241 2.749 50 0 BFAARN Cc1ccc(N)cc1NC(=O)C(C)(C)C ZINC000008703451 178708392 /nfs/dbraw/zinc/70/83/92/178708392.db2.gz LFTBLXHKJRTFKB-UHFFFAOYSA-N 0 0 206.289 2.562 50 0 BFAARN Cc1ccc(NC(=O)CC[C@H]2CCCO2)cc1 ZINC000040505850 178724648 /nfs/dbraw/zinc/72/46/48/178724648.db2.gz VZHDOAUYENSMAG-CYBMUJFWSA-N 0 0 233.311 2.893 50 0 BFAARN CC1(C)C[C@H]1C(=O)NCCSc1ccccc1 ZINC000151954252 323077424 /nfs/dbraw/zinc/07/74/24/323077424.db2.gz XPGWMFLZDHRICZ-LBPRGKRZSA-N 0 0 249.379 2.941 50 0 BFAARN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000113973372 187293657 /nfs/dbraw/zinc/29/36/57/187293657.db2.gz COUZDDDNQCVUDL-UWVGGRQHSA-N 0 0 211.305 2.653 50 0 BFAARN Cc1ccc(NC(=O)[C@H]2CCC(F)(F)C2)nc1 ZINC000225453121 178748222 /nfs/dbraw/zinc/74/82/22/178748222.db2.gz FBUVOTZZPUGAEJ-VIFPVBQESA-N 0 0 240.253 2.764 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(C)cc2C)n[nH]1 ZINC000006736875 178752010 /nfs/dbraw/zinc/75/20/10/178752010.db2.gz CEPOASPORIUJKE-UHFFFAOYSA-N 0 0 229.283 2.587 50 0 BFAARN CC(C)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000005031908 344912665 /nfs/dbraw/zinc/91/26/65/344912665.db2.gz QOXCKEIADDDMBO-UHFFFAOYSA-N 0 0 225.675 2.904 50 0 BFAARN COc1cc(Cl)nc(C(F)(F)F)c1 ZINC000238340020 345025799 /nfs/dbraw/zinc/02/57/99/345025799.db2.gz OESJTRXHSRTSNU-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN Cc1ccc(OCCCC(=O)N2CCCC2)cc1 ZINC000014401350 178811388 /nfs/dbraw/zinc/81/13/88/178811388.db2.gz SKTTUFKJXCYDBP-UHFFFAOYSA-N 0 0 247.338 2.776 50 0 BFAARN CC(C)=CCC[C@@H](C)C[C@@H]1OCCN1C(C)=O ZINC000004026599 187299695 /nfs/dbraw/zinc/29/96/95/187299695.db2.gz RKYXURFVIOUABL-OCCSQVGLSA-N 0 0 239.359 2.964 50 0 biogenic BFAARN Cc1ccc(S(=O)(=O)C(C)(C)C)c(C)c1 ZINC000000399334 178821812 /nfs/dbraw/zinc/82/18/12/178821812.db2.gz GBVPPBQTHGXZEL-UHFFFAOYSA-N 0 0 226.341 2.876 50 0 BFAARN CSc1nc(C)cc(NCc2cccnc2)n1 ZINC000011907711 345063318 /nfs/dbraw/zinc/06/33/18/345063318.db2.gz VBMJPHKCRWJDLO-UHFFFAOYSA-N 0 0 246.339 2.514 50 0 BFAARN Cc1ccc(OCc2ccc(C(N)=O)cc2)cc1 ZINC000014215632 178814561 /nfs/dbraw/zinc/81/45/61/178814561.db2.gz VDOQRLHAIWKSKZ-UHFFFAOYSA-N 0 0 241.290 2.673 50 0 BFAARN Cc1cc(=O)c2c([nH]1)[C@H](C(C)C)CCC2 ZINC000238794256 345127291 /nfs/dbraw/zinc/12/72/91/345127291.db2.gz IFDHZPHUFBKXCK-JTQLQIEISA-N 0 0 205.301 2.759 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)c2ccncc2)cc1 ZINC000013328114 178837434 /nfs/dbraw/zinc/83/74/34/178837434.db2.gz LODBLZMRYMHSGS-GFCCVEGCSA-N 0 0 240.306 2.881 50 0 BFAARN Cc1ccc([C@@H](C)NCc2nnc(C(C)C)o2)o1 ZINC000097373969 178845602 /nfs/dbraw/zinc/84/56/02/178845602.db2.gz XMLIFJOTYLVMTM-SNVBAGLBSA-N 0 0 249.314 2.945 50 0 BFAARN CCn1nccc1C(=O)Nc1ccc(Cl)cc1 ZINC000011696013 187305311 /nfs/dbraw/zinc/30/53/11/187305311.db2.gz SPGFUIBNUKDZCN-UHFFFAOYSA-N 0 0 249.701 2.809 50 0 BFAARN O=C(OCc1cc(-c2cccs2)on1)C1CC1 ZINC000012236711 187306032 /nfs/dbraw/zinc/30/60/32/187306032.db2.gz CUEMJXRFYJKOCJ-UHFFFAOYSA-N 0 0 249.291 2.856 50 0 BFAARN Cc1cc(CN(C)c2nccc3occc32)no1 ZINC000091429179 345592406 /nfs/dbraw/zinc/59/24/06/345592406.db2.gz NWNZGEPIXMZVOD-UHFFFAOYSA-N 0 0 243.266 2.761 50 0 BFAARN Cc1cnn(Cc2ccc3ccccc3n2)c1 ZINC000072302051 537902545 /nfs/dbraw/zinc/90/25/45/537902545.db2.gz FDZLXUIPYOADTL-UHFFFAOYSA-N 0 0 223.279 2.788 50 0 BFAARN O=C(CCC1CCCCC1)NC[C@@H]1CCCO1 ZINC000000434000 345714136 /nfs/dbraw/zinc/71/41/36/345714136.db2.gz QRFBCFXKGGHMBD-ZDUSSCGKSA-N 0 0 239.359 2.642 50 0 BFAARN Cc1ccc([C@H](NC(=O)C2CC2)C2CC2)cc1 ZINC000044893051 178910309 /nfs/dbraw/zinc/91/03/09/178910309.db2.gz XBIPSFCNUMPFQE-AWEZNQCLSA-N 0 0 229.323 2.972 50 0 BFAARN Cc1c2cc(C)ccc2n2c1[C@]1(C)OC[C@H](C2)O1 ZINC000000447862 345770150 /nfs/dbraw/zinc/77/01/50/345770150.db2.gz OMHIUIUABDCYDJ-XHDPSFHLSA-N 0 0 243.306 2.860 50 0 biogenic BFAARN Cc1occc1C(=O)Nc1ccc(C)cn1 ZINC000000460582 345884903 /nfs/dbraw/zinc/88/49/03/345884903.db2.gz DSGPXBWWMTXVDL-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN Cc1ccsc1C(=O)N[C@@H](C)c1ccncc1 ZINC000005226722 345938947 /nfs/dbraw/zinc/93/89/47/345938947.db2.gz PFQFSFADMSWUGO-JTQLQIEISA-N 0 0 246.335 2.943 50 0 BFAARN Cc1ccc2c(c1)[C@H](Nc1nccc(C)n1)CO2 ZINC000095418486 178957162 /nfs/dbraw/zinc/95/71/62/178957162.db2.gz DAJAZBSKZXFANL-GFCCVEGCSA-N 0 0 241.294 2.639 50 0 BFAARN Cc1ccc(N[C@H](C)C(=O)N2CCCC2)c(C)c1 ZINC000057324381 537932348 /nfs/dbraw/zinc/93/23/48/537932348.db2.gz NYHXQJYHWAWYHI-CYBMUJFWSA-N 0 0 246.354 2.726 50 0 BFAARN C=CC(=O)N1CC(C)(C)[C@H]1c1cccs1 ZINC000328597255 187363895 /nfs/dbraw/zinc/36/38/95/187363895.db2.gz GGVHJGFFNLBQQE-LLVKDONJSA-N 0 0 221.325 2.844 50 0 BFAARN NC(=S)NN=Cc1c(Cl)cccc1Cl ZINC000001775264 346076392 /nfs/dbraw/zinc/07/63/92/346076392.db2.gz JWTQZQFPOKSWPZ-UHFFFAOYSA-N 0 0 248.138 2.781 50 0 BFAARN Cc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4)o1 ZINC000019331549 187313807 /nfs/dbraw/zinc/31/38/07/187313807.db2.gz CCJBLIFRXSRIIU-UHFFFAOYSA-N 0 0 246.354 2.634 50 0 biogenic BFAARN C/C=C/C=C/C(=O)N(C)c1ccccc1 ZINC000001662606 346079901 /nfs/dbraw/zinc/07/99/01/346079901.db2.gz GKONHAANAMPQJK-HFBSYCRKSA-N 0 0 201.269 2.782 50 0 BFAARN O=C(C1CC=CC1)N1CC[C@H]2CCCC[C@H]21 ZINC000076985121 537938098 /nfs/dbraw/zinc/93/80/98/537938098.db2.gz QCBVNZPXMGZBJL-DGCLKSJQSA-N 0 0 219.328 2.744 50 0 BFAARN Cc1ccc2nc(NC(=O)C3CC3)sc2c1 ZINC000000318110 178978967 /nfs/dbraw/zinc/97/89/67/178978967.db2.gz VGAAFFCTEWXZHO-UHFFFAOYSA-N 0 0 232.308 2.953 50 0 BFAARN Cc1cccc(-n2nnnc2SC(C)C)c1C ZINC000048398009 179001760 /nfs/dbraw/zinc/00/17/60/179001760.db2.gz ISRRRGVPBICRRE-UHFFFAOYSA-N 0 0 248.355 2.780 50 0 BFAARN COP(=O)(Cc1nc2ccccc2[nH]1)OC ZINC000005285606 346180641 /nfs/dbraw/zinc/18/06/41/346180641.db2.gz WTXHDBSCBRZGCA-UHFFFAOYSA-N 0 0 240.199 2.549 50 0 BFAARN COC(=O)C(F)(F)Sc1ccc(O)c(C)c1 ZINC000003103056 346228862 /nfs/dbraw/zinc/22/88/62/346228862.db2.gz LUCYWJBPOSGNAF-UHFFFAOYSA-N 0 0 248.250 2.559 50 0 BFAARN Cc1cccc(C(=O)Nc2ccccc2C)n1 ZINC000012944811 187317125 /nfs/dbraw/zinc/31/71/25/187317125.db2.gz SKVBQYWZPZWKJA-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1nc(N)sc1-c1ccnc([C@@H]2C[C@@H]2C)n1 ZINC000095629763 346252275 /nfs/dbraw/zinc/25/22/75/346252275.db2.gz ZHTPRFXALUPNCR-POYBYMJQSA-N 0 0 246.339 2.614 50 0 BFAARN CC(=S)NC1C(=O)Nc2ccccc21 ZINC000003639815 537962718 /nfs/dbraw/zinc/96/27/18/537962718.db2.gz HRVMQDOXBMVZAU-UHFFFAOYSA-N 0 0 206.270 2.633 50 0 BFAARN Clc1ccc(SCc2ccncc2)nn1 ZINC000005589258 346266962 /nfs/dbraw/zinc/26/69/62/346266962.db2.gz HYZJFPADHXIXKT-UHFFFAOYSA-N 0 0 237.715 2.817 50 0 BFAARN Cc1cccc(C(=O)NCc2ccccc2)c1 ZINC000000128757 179019540 /nfs/dbraw/zinc/01/95/40/179019540.db2.gz KNQRVGSKGZJGQV-UHFFFAOYSA-N 0 0 225.291 2.925 50 0 BFAARN Cc1cccc(C(=O)c2ccccc2C)n1 ZINC000045028463 179026854 /nfs/dbraw/zinc/02/68/54/179026854.db2.gz ZYVNVNZFHRSPJW-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN Cc1cccc(C(=O)c2ccccn2)c1C ZINC000043210501 179026952 /nfs/dbraw/zinc/02/69/52/179026952.db2.gz VESUPZFFYQRIGE-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C ZINC000000154964 179042286 /nfs/dbraw/zinc/04/22/86/179042286.db2.gz INWLQCZOYSRPNW-ZDUSSCGKSA-N 0 0 246.354 2.726 50 0 fda BFAARN Cc1cccc(C2=NC(C)(C)NC2=S)c1 ZINC000067172581 179051735 /nfs/dbraw/zinc/05/17/35/179051735.db2.gz GUXNCHZGLITIIE-UHFFFAOYSA-N 0 0 218.325 2.862 50 0 BFAARN Cc1cc(C)n(C(=O)Cc2cccc(C)c2)n1 ZINC000006726011 179052793 /nfs/dbraw/zinc/05/27/93/179052793.db2.gz VFFDTGMQNVIRMM-UHFFFAOYSA-N 0 0 228.295 2.691 50 0 BFAARN CCOc1ccc2c(CC)cc(=O)oc2c1 ZINC000000407784 346418661 /nfs/dbraw/zinc/41/86/61/346418661.db2.gz UCRINVLIKASQJD-UHFFFAOYSA-N 0 0 218.252 2.754 50 0 biogenic BFAARN Cc1ccc(-c2c(F)cncc2F)cn1 ZINC000669379304 537977644 /nfs/dbraw/zinc/97/76/44/537977644.db2.gz BIMQUKDXTIFQDN-UHFFFAOYSA-N 0 0 206.195 2.730 50 0 BFAARN Cc1cccc(CNC(=O)C2CCCC2)c1 ZINC000032760727 179085728 /nfs/dbraw/zinc/08/57/28/179085728.db2.gz MZQNBIHAYNDKKL-UHFFFAOYSA-N 0 0 217.312 2.801 50 0 BFAARN Cc1cccc(CNC(=O)c2cccs2)c1 ZINC000006924233 179088311 /nfs/dbraw/zinc/08/83/11/179088311.db2.gz BVJYMXIJRULCMV-UHFFFAOYSA-N 0 0 231.320 2.987 50 0 BFAARN Clc1cnc2[nH]c(-c3cccnc3)nc2c1 ZINC000002494949 346509728 /nfs/dbraw/zinc/50/97/28/346509728.db2.gz HVVOZSJPEUQWMC-UHFFFAOYSA-N 0 0 230.658 2.673 50 0 BFAARN CCCC(=O)N[C@H](C)c1cccc(F)c1 ZINC000042673073 168559686 /nfs/dbraw/zinc/55/96/86/168559686.db2.gz LTEXQGXVNNXSID-SECBINFHSA-N 0 0 209.264 2.803 50 0 BFAARN CCCC[C@H](CC)CNC(=O)OCC ZINC000002757270 346531552 /nfs/dbraw/zinc/53/15/52/346531552.db2.gz IZQLXUAFAGUBOC-JTQLQIEISA-N 0 0 201.310 2.949 50 0 BFAARN Cc1cccc(NC(=O)CC[C@H]2CCCO2)c1 ZINC000040505829 179127681 /nfs/dbraw/zinc/12/76/81/179127681.db2.gz DWZKIKKPTXAVOK-CYBMUJFWSA-N 0 0 233.311 2.893 50 0 BFAARN Cc1ccc(N2C(=N)SCC2=O)cc1Cl ZINC000005092894 346609362 /nfs/dbraw/zinc/60/93/62/346609362.db2.gz VXFJKBRXLQQCIL-UHFFFAOYSA-N 0 0 240.715 2.663 50 0 BFAARN Cc1cccc(NC(=O)CCn2ccnc2)c1C ZINC000021916625 179127939 /nfs/dbraw/zinc/12/79/39/179127939.db2.gz JSLXIGLWGHCMHM-UHFFFAOYSA-N 0 0 243.310 2.529 50 0 BFAARN Cc1cccc(NC(=O)NCC[C@H]2CCCO2)c1 ZINC000025236535 179134207 /nfs/dbraw/zinc/13/42/07/179134207.db2.gz ATGGTQPGWQQKEM-CYBMUJFWSA-N 0 0 248.326 2.686 50 0 BFAARN Cc1cccc(NC(=O)N[C@@H](C)C2CC2)c1 ZINC000023584922 179135526 /nfs/dbraw/zinc/13/55/26/179135526.db2.gz SFIHLXCIKRERFR-JTQLQIEISA-N 0 0 218.300 2.915 50 0 BFAARN Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000012977871 179136534 /nfs/dbraw/zinc/13/65/34/179136534.db2.gz LRMKRWOUKFDMSM-AAEUAGOBSA-N 0 0 248.326 2.684 50 0 BFAARN Cc1cccc(NC(=O)Nc2ccn(C)n2)c1C ZINC000016972917 179137370 /nfs/dbraw/zinc/13/73/70/179137370.db2.gz PCCBKGSYTVPJBS-UHFFFAOYSA-N 0 0 244.298 2.681 50 0 BFAARN Cc1cccc(NC(=O)C[C@@H]2C=CCC2)n1 ZINC000040472890 179128944 /nfs/dbraw/zinc/12/89/44/179128944.db2.gz ATWQFAYYZICDIK-LLVKDONJSA-N 0 0 216.284 2.685 50 0 BFAARN Cc1cccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000000396894 179132181 /nfs/dbraw/zinc/13/21/81/179132181.db2.gz RDJGBTQABHBLSE-VXGBXAGGSA-N 0 0 248.326 2.636 50 0 BFAARN Cc1cccc(NC(=O)[C@H]2C[C@@H]2C(F)F)c1 ZINC000335776179 179141312 /nfs/dbraw/zinc/14/13/12/179141312.db2.gz FHMMSLWBJJJGNK-UWVGGRQHSA-N 0 0 225.238 2.835 50 0 BFAARN CCCC(=O)Nc1cccc(C(C)=O)c1 ZINC000000362077 168563984 /nfs/dbraw/zinc/56/39/84/168563984.db2.gz JGRVIEYIDAPUKY-UHFFFAOYSA-N 0 0 205.257 2.628 50 0 BFAARN Cc1onc(C(=O)Nc2cccc(C)c2)c1C ZINC000013641110 179142596 /nfs/dbraw/zinc/14/25/96/179142596.db2.gz HKROIDGOFZTVRC-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN CC(C)CNc1ccc(-c2nc[nH]n2)cc1 ZINC000725242665 537986210 /nfs/dbraw/zinc/98/62/10/537986210.db2.gz SOBIFQUFRFGNLC-UHFFFAOYSA-N 0 0 216.288 2.540 50 0 BFAARN Cc1cccc(NCn2nnc3ccccc32)c1 ZINC000000366065 179151632 /nfs/dbraw/zinc/15/16/32/179151632.db2.gz ADECMSOXBODSSY-UHFFFAOYSA-N 0 0 238.294 2.809 50 0 BFAARN CCCC(=O)Nc1ccc(NC(=O)CC)cc1 ZINC000014838856 168564669 /nfs/dbraw/zinc/56/46/69/168564669.db2.gz LMGVIQHVRRIKCU-UHFFFAOYSA-N 0 0 234.299 2.774 50 0 BFAARN CC(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000009952017 346746246 /nfs/dbraw/zinc/74/62/46/346746246.db2.gz NKGZCFJDQHDSFC-UHFFFAOYSA-N 0 0 236.271 2.908 50 0 BFAARN Cc1cccc(N[C@@H](C)C(=O)N2CCCC2)c1C ZINC000057324365 179153855 /nfs/dbraw/zinc/15/38/55/179153855.db2.gz YJWUBECXPTZYFM-ZDUSSCGKSA-N 0 0 246.354 2.726 50 0 BFAARN Cc1ccn(CCOc2cccc(C)c2)n1 ZINC000097021492 179169838 /nfs/dbraw/zinc/16/98/38/179169838.db2.gz LAKBRQLKPRKUDS-UHFFFAOYSA-N 0 0 216.284 2.579 50 0 BFAARN Cc1cccc(O[C@@H](C)C(=O)NC(C)C)c1C ZINC000020110308 179173909 /nfs/dbraw/zinc/17/39/09/179173909.db2.gz DJKAXGLNVJQDEK-LBPRGKRZSA-N 0 0 235.327 2.595 50 0 BFAARN CCCC(=O)Nc1ccccc1N1CCCC1=O ZINC000021709073 168566205 /nfs/dbraw/zinc/56/62/05/168566205.db2.gz KVTHNKQLJDHNCO-UHFFFAOYSA-N 0 0 246.310 2.552 50 0 BFAARN Cc1cccc([C@@H]2CCCC[N@@H+]2CC(=O)[O-])c1C ZINC000225453085 179190224 /nfs/dbraw/zinc/19/02/24/179190224.db2.gz RFRPXHAHSKOMFO-AWEZNQCLSA-N 0 0 247.338 2.915 50 0 BFAARN Cc1cccc2ncnc(N3CCCC3)c12 ZINC000080761584 179232868 /nfs/dbraw/zinc/23/28/68/179232868.db2.gz LIBIEARTVZWURH-UHFFFAOYSA-N 0 0 213.284 2.538 50 0 BFAARN Cc1nn(-c2ccccc2C)c(C)c1C=O ZINC000004384330 179242948 /nfs/dbraw/zinc/24/29/48/179242948.db2.gz MXWICIXTAYJZCH-UHFFFAOYSA-N 0 0 214.268 2.610 50 0 BFAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1cccn1 ZINC000012849787 347473833 /nfs/dbraw/zinc/47/38/33/347473833.db2.gz NOCJBJFNTBJRDM-VIFPVBQESA-N 0 0 249.701 2.736 50 0 BFAARN CC[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000012894306 347474675 /nfs/dbraw/zinc/47/46/75/347474675.db2.gz ZWLUHHNAQOLHGM-SKDRFNHKSA-N 0 0 235.352 2.618 50 0 BFAARN Cc1ccc(CNC(=O)Cc2ccccc2)cc1 ZINC000002655649 347507261 /nfs/dbraw/zinc/50/72/61/347507261.db2.gz OGIAKMOTGFCFQY-UHFFFAOYSA-N 0 0 239.318 2.854 50 0 BFAARN CCc1cc(C(F)(F)F)c2cnn(C)c2n1 ZINC000020605129 347518208 /nfs/dbraw/zinc/51/82/08/347518208.db2.gz PQZAARNMBIORQZ-UHFFFAOYSA-N 0 0 229.205 2.550 50 0 BFAARN Cc1ccccc1C(=O)N[C@H](C)c1ccccn1 ZINC000032973744 179252914 /nfs/dbraw/zinc/25/29/14/179252914.db2.gz ZINHXDWFJYDCRI-GFCCVEGCSA-N 0 0 240.306 2.881 50 0 BFAARN Cc1ccccc1CC(=O)NC1CCCCC1 ZINC000006731230 179257831 /nfs/dbraw/zinc/25/78/31/179257831.db2.gz VXPYBVLJTLQULE-UHFFFAOYSA-N 0 0 231.339 2.986 50 0 BFAARN Cc1ccccc1CC(=O)Nc1cccnc1 ZINC000006699774 179260743 /nfs/dbraw/zinc/26/07/43/179260743.db2.gz BKMOVCAIOPBLFR-UHFFFAOYSA-N 0 0 226.279 2.571 50 0 BFAARN Cc1ccccc1CC(=O)N1CCCCC1 ZINC000006726960 179257446 /nfs/dbraw/zinc/25/74/46/179257446.db2.gz WBEPPMAIUSGSTR-UHFFFAOYSA-N 0 0 217.312 2.550 50 0 BFAARN O=C(c1ccoc1)N1CCc2sccc2C1 ZINC000012216382 347635410 /nfs/dbraw/zinc/63/54/10/347635410.db2.gz WTZLNOFGTXXNAG-UHFFFAOYSA-N 0 0 233.292 2.540 50 0 BFAARN COc1ccc(Cl)c(Cn2cccn2)c1 ZINC000195579732 347641705 /nfs/dbraw/zinc/64/17/05/347641705.db2.gz QLNIFNYTRKAXTE-UHFFFAOYSA-N 0 0 222.675 2.593 50 0 BFAARN CSc1nccn1Cc1ccc(Cl)cn1 ZINC000195565905 347647295 /nfs/dbraw/zinc/64/72/95/347647295.db2.gz SEFYRFCPOGNIIB-UHFFFAOYSA-N 0 0 239.731 2.702 50 0 BFAARN Cc1ncsc1C(=O)NCc1ccccc1C ZINC000046572512 179280465 /nfs/dbraw/zinc/28/04/65/179280465.db2.gz FPBNHYDCFHCKGE-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN Cc1ccccc1CNC(=O)c1ccco1 ZINC000000382635 179280842 /nfs/dbraw/zinc/28/08/42/179280842.db2.gz YUDZVIOPZPKECR-UHFFFAOYSA-N 0 0 215.252 2.518 50 0 BFAARN Cc1ccccc1CNC(=O)c1ccccc1N ZINC000001078443 179281382 /nfs/dbraw/zinc/28/13/82/179281382.db2.gz XHBFBMXITVTRGL-UHFFFAOYSA-N 0 0 240.306 2.507 50 0 aggregator BFAARN CCCC(C)(C)NC(=O)c1ccc2c(c1)CCO2 ZINC000050497712 168577006 /nfs/dbraw/zinc/57/70/06/168577006.db2.gz DKAPMEYRBZIDDI-UHFFFAOYSA-N 0 0 247.338 2.930 50 0 BFAARN Cc1ccccc1CNc1ccc(C(N)=O)cc1 ZINC000019911132 179285415 /nfs/dbraw/zinc/28/54/15/179285415.db2.gz DUYAPVMGZRIXTH-UHFFFAOYSA-N 0 0 240.306 2.706 50 0 BFAARN Cc1ccccc1NC(=S)NC(C)C ZINC000007521807 179302743 /nfs/dbraw/zinc/30/27/43/179302743.db2.gz NXXNOKCKHAPZRC-UHFFFAOYSA-N 0 0 208.330 2.690 50 0 BFAARN Cc1ccccc1NC(=S)Nc1ccn(C)n1 ZINC000010847084 179303021 /nfs/dbraw/zinc/30/30/21/179303021.db2.gz USAODZPAGVURNR-UHFFFAOYSA-N 0 0 246.339 2.537 50 0 BFAARN Cc1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000016666443 179296551 /nfs/dbraw/zinc/29/65/51/179296551.db2.gz BKCOXCQCSDGIOZ-VXGBXAGGSA-N 0 0 243.306 2.675 50 0 BFAARN Cc1ccccc1OCCNC(=O)C1CCCC1 ZINC000004727649 179310375 /nfs/dbraw/zinc/31/03/75/179310375.db2.gz PBKIRKYMFIVIRX-UHFFFAOYSA-N 0 0 247.338 2.680 50 0 BFAARN Cc1ccccc1O[C@H](C)C1N=NC(=S)N1C ZINC000016973704 179313785 /nfs/dbraw/zinc/31/37/85/179313785.db2.gz OKBATRZDTGFJBZ-SECBINFHSA-N 0 0 249.339 2.552 50 0 BFAARN Cc1ccccc1SCC(=O)N1CCCC1 ZINC000033019293 179315221 /nfs/dbraw/zinc/31/52/21/179315221.db2.gz GFEPROUQCOPNFK-UHFFFAOYSA-N 0 0 235.352 2.710 50 0 BFAARN Cc1ccccc1O[C@@H](C)C(=O)N1CCCCC1 ZINC000059267371 179313195 /nfs/dbraw/zinc/31/31/95/179313195.db2.gz CQKBDWHOWFJPKA-ZDUSSCGKSA-N 0 0 247.338 2.775 50 0 BFAARN Cc1ccccc1[S@](=O)CCCOC(C)C ZINC000195579588 179352083 /nfs/dbraw/zinc/35/20/83/179352083.db2.gz KHXIXLXWYMYXAC-MRXNPFEDSA-N 0 0 240.368 2.918 50 0 BFAARN Cc1cccn2c(N)c(-c3cccs3)nc12 ZINC000026420599 179354262 /nfs/dbraw/zinc/35/42/62/179354262.db2.gz LJJXYRMOQSFKNW-UHFFFAOYSA-N 0 0 229.308 2.953 50 0 BFAARN Cc1c(-c2nc(-c3ccsc3)no2)cnn1C ZINC000078773691 537998511 /nfs/dbraw/zinc/99/85/11/537998511.db2.gz ZVCFNTJRXVIQGK-UHFFFAOYSA-N 0 0 246.295 2.507 50 0 BFAARN Cc1cccnc1C(=O)c1cccc(F)c1F ZINC000045028688 179366612 /nfs/dbraw/zinc/36/66/12/179366612.db2.gz WBMHLWRCDRIMFE-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CC[C@@]1(C(=O)OC)O[C@@]1(C)c1ccc(C)s1 ZINC000669382356 538000075 /nfs/dbraw/zinc/00/00/75/538000075.db2.gz GPSUPBKLCLTVKN-RYUDHWBXSA-N 0 0 240.324 2.624 50 0 BFAARN Cc1cccnc1CNC(=O)CCC1CCCC1 ZINC000071847810 179378892 /nfs/dbraw/zinc/37/88/92/179378892.db2.gz IHCMLLXLFFKWES-UHFFFAOYSA-N 0 0 246.354 2.977 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1Cl ZINC000014373331 362869221 /nfs/dbraw/zinc/86/92/21/362869221.db2.gz JUIGCSWMUCBRRG-SFYZADRCSA-N 0 0 209.676 2.935 50 0 BFAARN Cc1cccnc1NC(=O)c1cccnc1Cl ZINC000013208421 179393295 /nfs/dbraw/zinc/39/32/95/179393295.db2.gz IKDDQHMKLHBNNO-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1cccnc1NC(=O)c1cc(Cl)ccn1 ZINC000012537169 179394053 /nfs/dbraw/zinc/39/40/53/179394053.db2.gz ZYDCXGLNQMAYLN-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1ccn(C(=O)c2cccc(Cl)c2)n1 ZINC000000504469 179399960 /nfs/dbraw/zinc/39/99/60/179399960.db2.gz AHEDQBKHOPNEQB-UHFFFAOYSA-N 0 0 220.659 2.533 50 0 BFAARN Cc1ccoc1C(=O)Nc1cc(C(C)C)[nH]n1 ZINC000049044248 179510304 /nfs/dbraw/zinc/51/03/04/179510304.db2.gz DLAZRLWQFZKTCX-UHFFFAOYSA-N 0 0 233.271 2.687 50 0 BFAARN Cc1cnc(CN[C@@H](C)c2ncc(C)s2)o1 ZINC000097112413 179607988 /nfs/dbraw/zinc/60/79/88/179607988.db2.gz LOMRLGCYVCBYGZ-VIFPVBQESA-N 0 0 237.328 2.599 50 0 BFAARN Oc1cc(Br)cc(N2CCCC2)c1 ZINC000118523582 348988691 /nfs/dbraw/zinc/98/86/91/348988691.db2.gz SEYJPXQCXXAPBA-UHFFFAOYSA-N 0 0 242.116 2.755 50 0 BFAARN COc1ccccc1NC(=O)N1CCCCC1 ZINC000000396324 190970045 /nfs/dbraw/zinc/97/00/45/190970045.db2.gz NMUPNXITHLIEAV-UHFFFAOYSA-N 0 0 234.299 2.713 50 0 BFAARN On1c2cccnc2nc1-c1ccccc1Cl ZINC000001400227 190971161 /nfs/dbraw/zinc/97/11/61/190971161.db2.gz OYLVZQNOFLITIJ-UHFFFAOYSA-N 0 0 245.669 2.989 50 0 BFAARN Cc1csc2nc(-c3cccc(N)c3)cn12 ZINC000019767173 179800095 /nfs/dbraw/zinc/80/00/95/179800095.db2.gz PWVMOAXXVZCWRT-UHFFFAOYSA-N 0 0 229.308 2.953 50 0 BFAARN Cc1cscc1C(=O)Nc1ncccc1F ZINC000097110808 179804921 /nfs/dbraw/zinc/80/49/21/179804921.db2.gz SRYDPLCDIOZVOT-UHFFFAOYSA-N 0 0 236.271 2.843 50 0 BFAARN Cc1nc(C(=O)Nc2ccccc2Cl)co1 ZINC000022606352 179891175 /nfs/dbraw/zinc/89/11/75/179891175.db2.gz BHVHOWSYRIVETD-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN Cc1nc(C(F)(F)F)nc(-c2cn[nH]c2)c1C ZINC000032511613 179896574 /nfs/dbraw/zinc/89/65/74/179896574.db2.gz JMZKDSOYSBIAEB-UHFFFAOYSA-N 0 0 242.204 2.502 50 0 BFAARN Cc1nc(C)c(C(=O)OCCc2ccccc2)o1 ZINC000095406767 179906036 /nfs/dbraw/zinc/90/60/36/179906036.db2.gz YMLZCDGFKILNST-UHFFFAOYSA-N 0 0 245.278 2.691 50 0 BFAARN C[C@H]1C[C@H]1c1ccc(CCC(=O)N(C)C2CC2)o1 ZINC000065516651 191001627 /nfs/dbraw/zinc/00/16/27/191001627.db2.gz JSBSTHQIWUGXDZ-GXFFZTMASA-N 0 0 247.338 2.956 50 0 BFAARN Cc1nc(NC(=O)c2cccc(N)c2)sc1C ZINC000020193271 180015240 /nfs/dbraw/zinc/01/52/40/180015240.db2.gz MQKCITJGCXSCFW-UHFFFAOYSA-N 0 0 247.323 2.594 50 0 BFAARN CC(=O)N1CCSC[C@@H]1c1ccc(C)cc1 ZINC000089632153 191022046 /nfs/dbraw/zinc/02/20/46/191022046.db2.gz YELSLUSXTNWNIB-CYBMUJFWSA-N 0 0 235.352 2.631 50 0 BFAARN CC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000089954609 191023378 /nfs/dbraw/zinc/02/33/78/191023378.db2.gz QQADAEOQIPDETH-CYBMUJFWSA-N 0 0 203.285 2.664 50 0 BFAARN Cc1[nH]c2cc(-c3ccccc3)nn2c(=O)c1C ZINC000100528650 180073732 /nfs/dbraw/zinc/07/37/32/180073732.db2.gz FAYXDQDFGDMVHB-UHFFFAOYSA-N 0 0 239.278 2.719 50 0 BFAARN Cc1nc2c(cc(Br)c(F)c2F)[nH]1 ZINC000095495617 180075864 /nfs/dbraw/zinc/07/58/64/180075864.db2.gz OGBVQXWHNYNXAM-UHFFFAOYSA-N 0 0 247.042 2.912 50 0 BFAARN Cc1nc2cc(Br)cnc2s1 ZINC000071791003 180076367 /nfs/dbraw/zinc/07/63/67/180076367.db2.gz OSJMMGGVXKKBHV-UHFFFAOYSA-N 0 0 229.102 2.762 50 0 BFAARN Cc1nc2ccc(-n3ccc(=O)cc3)cc2s1 ZINC000003189253 180087390 /nfs/dbraw/zinc/08/73/90/180087390.db2.gz QABPHVRIKKSSFI-UHFFFAOYSA-N 0 0 242.303 2.756 50 0 BFAARN O=C(Cc1cccc(F)c1)Nc1ccncc1F ZINC000132192238 191027734 /nfs/dbraw/zinc/02/77/34/191027734.db2.gz PVWBPWZBMCOILT-UHFFFAOYSA-N 0 0 248.232 2.541 50 0 BFAARN Cc1nc2oc(-c3ccccc3)nc2cc1N ZINC000225524053 180115645 /nfs/dbraw/zinc/11/56/45/180115645.db2.gz TYLINFVKGSRNLT-UHFFFAOYSA-N 0 0 225.251 2.780 50 0 BFAARN Cc1nc2ncccc2cc1Br ZINC000000333024 180116290 /nfs/dbraw/zinc/11/62/90/180116290.db2.gz OCYPSDGQJOJRSB-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN C/C=C\CSCc1cccc(C(=O)NC)c1 ZINC000098010026 191061687 /nfs/dbraw/zinc/06/16/87/191061687.db2.gz NJWSVLLRTJVIJZ-ARJAWSKDSA-N 0 0 235.352 2.856 50 0 BFAARN Cc1ncc(CNC(=O)Nc2ccccc2)s1 ZINC000032611467 180147956 /nfs/dbraw/zinc/14/79/56/180147956.db2.gz DSTNAFLVJUKOMG-UHFFFAOYSA-N 0 0 247.323 2.773 50 0 BFAARN Nc1cnc(-c2cc3ccccc3s2)cn1 ZINC000032516069 350202029 /nfs/dbraw/zinc/20/20/29/350202029.db2.gz LAWQUFOHUSDNLW-UHFFFAOYSA-N 0 0 227.292 2.941 50 0 BFAARN Cc1ncccc1CN(C)[C@@H](C)c1ccccn1 ZINC000097113659 180219147 /nfs/dbraw/zinc/21/91/47/180219147.db2.gz INLVSMKZFPIIAX-ZDUSSCGKSA-N 0 0 241.338 2.978 50 0 BFAARN CCCCC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000067092251 168624042 /nfs/dbraw/zinc/62/40/42/168624042.db2.gz MEKBJIIOPYRKCD-QWHCGFSZSA-N 0 0 235.302 2.988 50 0 BFAARN Cc1ncccc1NC(=O)c1ccnc(Cl)c1 ZINC000074239227 180225822 /nfs/dbraw/zinc/22/58/22/180225822.db2.gz NMFXKBNUMGYFBJ-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1nccn1C(=O)Nc1ccc(Cl)cc1 ZINC000071778627 180231468 /nfs/dbraw/zinc/23/14/68/180231468.db2.gz ARHGXDIUYGQKKR-UHFFFAOYSA-N 0 0 235.674 2.925 50 0 BFAARN Cc1nccn1CCCOc1ccccc1F ZINC000089735696 180248211 /nfs/dbraw/zinc/24/82/11/180248211.db2.gz FIRBXTAPCCRHDD-UHFFFAOYSA-N 0 0 234.274 2.800 50 0 BFAARN Cc1ncnc2c(Br)cccc12 ZINC000095930343 180290982 /nfs/dbraw/zinc/29/09/82/180290982.db2.gz TXSASISPKDGBPU-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN CO[C@H](C)c1ccc(-c2ncnc(N)c2C)cc1 ZINC000426504020 191093502 /nfs/dbraw/zinc/09/35/02/191093502.db2.gz PEMMLDLXPFYUCW-SNVBAGLBSA-N 0 0 243.310 2.572 50 0 BFAARN Cc1ncsc1CCSc1ncc[nH]1 ZINC000078997408 180311601 /nfs/dbraw/zinc/31/16/01/180311601.db2.gz LHDOXPFTQAFUPD-UHFFFAOYSA-N 0 0 225.342 2.509 50 0 BFAARN Cc1cn2nc(NC3CCCCC3)sc2n1 ZINC000028068691 350336253 /nfs/dbraw/zinc/33/62/53/350336253.db2.gz HFAJHAXVEZHSLX-UHFFFAOYSA-N 0 0 236.344 2.844 50 0 BFAARN Cc1ccsc1C(=O)Nc1cccnc1 ZINC000040459471 350365659 /nfs/dbraw/zinc/36/56/59/350365659.db2.gz FUFKRTRPFBIIAB-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN Cc1ccc(CC(=O)N2CCCC[C@@H]2C)cc1 ZINC000000464769 350333009 /nfs/dbraw/zinc/33/30/09/350333009.db2.gz WLSUWIQOWFLZHE-ZDUSSCGKSA-N 0 0 231.339 2.939 50 0 BFAARN Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C ZINC000100129765 180330450 /nfs/dbraw/zinc/33/04/50/180330450.db2.gz GSCNITZDCMYHCN-UHFFFAOYSA-N 0 0 245.307 2.804 50 0 BFAARN Cc1nn(C(C)(C)C)c(C)c1[C@H]1C=C[C@@H](O)C1 ZINC000049587748 180331942 /nfs/dbraw/zinc/33/19/42/180331942.db2.gz LVYCRGFOHNXGCP-NWDGAFQWSA-N 0 0 234.343 2.659 50 0 biogenic,in-vitro BFAARN CCc1nn(C)cc1-c1cccc(OC)c1OC ZINC000426602540 191101226 /nfs/dbraw/zinc/10/12/26/191101226.db2.gz QVNOHIUBQQBODO-UHFFFAOYSA-N 0 0 246.310 2.667 50 0 BFAARN Cc1ncsc1CNc1cncc(F)c1 ZINC000300761530 180323294 /nfs/dbraw/zinc/32/32/94/180323294.db2.gz LCUIXZZUCCVFBP-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN CC(C)C(=O)N1CCc2sccc2[C@@H]1C ZINC000032845622 350433395 /nfs/dbraw/zinc/43/33/95/350433395.db2.gz PZISSVJDEKOXEE-VIFPVBQESA-N 0 0 223.341 2.850 50 0 BFAARN C[C@H](C1CC1)N(C)C(=O)c1ccc(Cl)o1 ZINC000032907068 350437083 /nfs/dbraw/zinc/43/70/83/350437083.db2.gz VETHFPWLZMCSBY-SSDOTTSWSA-N 0 0 227.691 2.804 50 0 BFAARN Cc1nn(C)c(OCCC2CCCC2)c1C ZINC000252485108 180360141 /nfs/dbraw/zinc/36/01/41/180360141.db2.gz GNPHLQFCSJAQOK-UHFFFAOYSA-N 0 0 222.332 2.996 50 0 BFAARN Cc1nn(C)c2c1[C@H](C1CCCCC1)CC(=O)N2 ZINC000072117619 180362443 /nfs/dbraw/zinc/36/24/43/180362443.db2.gz XQOQFVXBLFNZOW-NSHDSACASA-N 0 0 247.342 2.735 50 0 BFAARN Cc1nn(C)c2oc(=O)cc(-c3ccccc3)c12 ZINC000000091569 180365813 /nfs/dbraw/zinc/36/58/13/180365813.db2.gz VHZIEKBRQSFOSP-UHFFFAOYSA-N 0 0 240.262 2.502 50 0 BFAARN CCCc1cc(C(=O)OCC)ccc1O ZINC000034420247 350467481 /nfs/dbraw/zinc/46/74/81/350467481.db2.gz DJQVBFSUDDSEAB-UHFFFAOYSA-N 0 0 208.257 2.521 50 0 BFAARN Cc1nn(C)cc1NC(=O)Nc1ccc(F)cc1 ZINC000000147665 180377467 /nfs/dbraw/zinc/37/74/67/180377467.db2.gz GZDYOTCSJIWHGE-UHFFFAOYSA-N 0 0 248.261 2.512 50 0 BFAARN Cc1nn(CC(F)(F)F)cc1Br ZINC000223254182 180386212 /nfs/dbraw/zinc/38/62/12/180386212.db2.gz WXUDSDMNUCGYSK-UHFFFAOYSA-N 0 0 243.026 2.516 50 0 BFAARN CC(C)N1C(=O)CS[C@H]1c1ccccc1 ZINC000000277910 191108434 /nfs/dbraw/zinc/10/84/34/191108434.db2.gz HXSXRBBKEPKDKT-LBPRGKRZSA-N 0 0 221.325 2.669 50 0 BFAARN C[P@](N)(=O)Oc1ccc(Cl)cc1 ZINC000000273141 191108032 /nfs/dbraw/zinc/10/80/32/191108032.db2.gz CTAMQMLQLNBRGK-LBPRGKRZSA-N 0 0 205.581 2.500 50 0 BFAARN CC(C)CCc1nnc(NCc2cccn2C)o1 ZINC000095992345 350526310 /nfs/dbraw/zinc/52/63/10/350526310.db2.gz DXFPQCFPJGNACU-UHFFFAOYSA-N 0 0 248.330 2.609 50 0 BFAARN Cc1nnc(CNc2ccccc2F)s1 ZINC000336380187 180415478 /nfs/dbraw/zinc/41/54/78/180415478.db2.gz LIOJFBIBEQICCK-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN CNC(=O)CCCCOc1cc(C)ccc1C ZINC000067476013 350579915 /nfs/dbraw/zinc/57/99/15/350579915.db2.gz XOBZJIUFJIXIHP-UHFFFAOYSA-N 0 0 235.327 2.599 50 0 BFAARN CC(C)(C)OC(=O)Cn1ccc2cccc(N)c21 ZINC000231242039 350616112 /nfs/dbraw/zinc/61/61/12/350616112.db2.gz VAFXEDHCPJFOGU-UHFFFAOYSA-N 0 0 246.310 2.565 50 0 BFAARN CCCCCC(=O)Nc1cc(C)ccn1 ZINC000004457727 168640678 /nfs/dbraw/zinc/64/06/78/168640678.db2.gz DKKDRIBCTVZFKL-UHFFFAOYSA-N 0 0 206.289 2.909 50 0 BFAARN Cc1noc(C)c1COc1ccc(C=O)cc1 ZINC000004205185 180475216 /nfs/dbraw/zinc/47/52/16/180475216.db2.gz LMLHECCOGOQRMS-UHFFFAOYSA-N 0 0 231.251 2.683 50 0 BFAARN Cc1cccc(NCc2ncc[nH]2)c1Cl ZINC000095981705 350668703 /nfs/dbraw/zinc/66/87/03/350668703.db2.gz IRSBFFLMXBXKAL-UHFFFAOYSA-N 0 0 221.691 2.984 50 0 BFAARN CCCCCC(=O)c1ccc(O)cc1O ZINC000001635607 168643379 /nfs/dbraw/zinc/64/33/79/168643379.db2.gz SKUFHZAEFGZSQK-UHFFFAOYSA-N 0 0 208.257 2.861 50 0 BFAARN Cc1noc2ncnc(NC3CCCCC3)c12 ZINC000020575122 180502066 /nfs/dbraw/zinc/50/20/66/180502066.db2.gz FYFZEDFPGAFICI-UHFFFAOYSA-N 0 0 232.287 2.671 50 0 BFAARN C/C(=C\c1ccccc1)C(=O)NCC(C)C ZINC000004696224 191121135 /nfs/dbraw/zinc/12/11/35/191121135.db2.gz LWJYXBPEIRQHIY-FMIVXFBMSA-N 0 0 217.312 2.862 50 0 BFAARN O=C(c1cc(Br)ccc1O)C1CC1 ZINC000052068485 350901744 /nfs/dbraw/zinc/90/17/44/350901744.db2.gz VVHOAXYVXSUMOU-UHFFFAOYSA-N 0 0 241.084 2.747 50 0 BFAARN CCN(Cc1ccn(CC)n1)Cc1ccc(C)o1 ZINC000252489589 350911756 /nfs/dbraw/zinc/91/17/56/350911756.db2.gz JUKUAXYBHAKTIQ-UHFFFAOYSA-N 0 0 247.342 2.827 50 0 BFAARN Cc1occc(=O)c1OC(=O)Nc1ccccc1 ZINC000000503514 180534835 /nfs/dbraw/zinc/53/48/35/180534835.db2.gz FBHMLQDZBATYLG-UHFFFAOYSA-N 0 0 245.234 2.559 50 0 BFAARN CCc1nc(CN(CC)[C@H](C)COC)cs1 ZINC000052219702 350969337 /nfs/dbraw/zinc/96/93/37/350969337.db2.gz QKHPEROYBHPKAU-SNVBAGLBSA-N 0 0 242.388 2.562 50 0 BFAARN Nc1c(Cl)ncc(Br)c1Cl ZINC000001020106 350986190 /nfs/dbraw/zinc/98/61/90/350986190.db2.gz BJSGVMZUXPSVNX-UHFFFAOYSA-N 0 0 241.903 2.733 50 0 BFAARN Clc1cc(OCc2ccccc2)cnn1 ZINC000091366276 180576111 /nfs/dbraw/zinc/57/61/11/180576111.db2.gz YMNJCWLKSHDYSE-UHFFFAOYSA-N 0 0 220.659 2.709 50 0 BFAARN Clc1cc2c(cc1Br)OCO2 ZINC000040571506 180576661 /nfs/dbraw/zinc/57/66/61/180576661.db2.gz VNFIRXCKAFPWRQ-UHFFFAOYSA-N 0 0 235.464 2.831 50 0 BFAARN Clc1ccc(CNc2cnccn2)cc1 ZINC000000402264 180580708 /nfs/dbraw/zinc/58/07/08/180580708.db2.gz TYIVUMPBFZGFPS-UHFFFAOYSA-N 0 0 219.675 2.742 50 0 BFAARN CCOc1nnc(-c2ccc(Cl)cc2)o1 ZINC000005908751 351301679 /nfs/dbraw/zinc/30/16/79/351301679.db2.gz ILZAIDBIFBCBBQ-UHFFFAOYSA-N 0 0 224.647 2.789 50 0 BFAARN NC(=O)c1ccccc1Nc1ccc(F)cc1 ZINC000005945812 351336536 /nfs/dbraw/zinc/33/65/36/351336536.db2.gz KOWXQCYHVFQELS-UHFFFAOYSA-N 0 0 230.242 2.668 50 0 BFAARN Clc1ccc2nc(Cl)nc(Cl)c2n1 ZINC000066054762 180588184 /nfs/dbraw/zinc/58/81/84/180588184.db2.gz KPUMPJIRBVOFGW-UHFFFAOYSA-N 0 0 234.473 2.985 50 0 BFAARN COc1c(Cl)cc(C(=O)N2N=N2)cc1Cl ZINC000000528102 363055234 /nfs/dbraw/zinc/05/52/34/363055234.db2.gz QOGFOLVYYGLEGH-UHFFFAOYSA-N 0 0 246.053 2.740 50 0 BFAARN Cn1c(-c2ccccc2)nc2cccnc21 ZINC000019909658 180607182 /nfs/dbraw/zinc/60/71/82/180607182.db2.gz PUNCYBQXTIOEFK-UHFFFAOYSA-N 0 0 209.252 2.635 50 0 BFAARN O=C(c1coc2ccc(O)cc12)C1CC1 ZINC000000229582 363050307 /nfs/dbraw/zinc/05/03/07/363050307.db2.gz CIIPYHBBQOLDAR-UHFFFAOYSA-N 0 0 202.209 2.731 50 0 BFAARN Cn1c2ccccc2nc1NC(=O)C1CCCC1 ZINC000027924090 180621956 /nfs/dbraw/zinc/62/19/56/180621956.db2.gz FLOCZYQFARHQFO-UHFFFAOYSA-N 0 0 243.310 2.702 50 0 BFAARN Cn1cc(-c2ccc(Br)cc2)cn1 ZINC000049828414 180626967 /nfs/dbraw/zinc/62/69/67/180626967.db2.gz NGFPKROKTIBKMD-UHFFFAOYSA-N 0 0 237.100 2.850 50 0 BFAARN Cc1cc(=O)oc2cc(OC(C)C)ccc12 ZINC000000459287 351795596 /nfs/dbraw/zinc/79/55/96/351795596.db2.gz COIUQMDQIBGHQH-UHFFFAOYSA-N 0 0 218.252 2.889 50 0 biogenic BFAARN Cc1ccc(N[C@H](C(N)=O)c2ccccc2)cc1 ZINC000012540837 352044386 /nfs/dbraw/zinc/04/43/86/352044386.db2.gz BHLHTMCGQAJHSU-AWEZNQCLSA-N 0 0 240.306 2.634 50 0 BFAARN CC(C)/C=C1/CC(=O)N(c2ccccc2)C1=O ZINC000005348539 187586321 /nfs/dbraw/zinc/58/63/21/187586321.db2.gz YWEZIOIDHBBGKY-FLIBITNWSA-N 0 0 229.279 2.532 50 0 BFAARN Cc1nc(N)sc1Cc1ccc(F)cc1F ZINC000035250911 187594536 /nfs/dbraw/zinc/59/45/36/187594536.db2.gz SYGBBWYJNCAOAE-UHFFFAOYSA-N 0 0 240.278 2.903 50 0 BFAARN O=C(Nc1nc(C2CC2)cs1)N1CCCC1 ZINC000043649674 187605414 /nfs/dbraw/zinc/60/54/14/187605414.db2.gz VSPPDGLVKWKNCZ-UHFFFAOYSA-N 0 0 237.328 2.648 50 0 BFAARN CCCCOc1ccc([C@@]2(C)CC(=O)N2)cc1 ZINC000002097678 363114155 /nfs/dbraw/zinc/11/41/55/363114155.db2.gz XEMSORLEBBRTJC-CQSZACIVSA-N 0 0 233.311 2.601 50 0 biogenic BFAARN CCC/C=C/c1ccc(NC(C)=O)nc1 ZINC000067954706 187614099 /nfs/dbraw/zinc/61/40/99/187614099.db2.gz KKJPJKSGLFPKTI-AATRIKPKSA-N 0 0 204.273 2.853 50 0 BFAARN CC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000077310021 187619293 /nfs/dbraw/zinc/61/92/93/187619293.db2.gz HHFMDOBWCCQMOI-GJZGRUSLSA-N 0 0 231.339 2.924 50 0 BFAARN CC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000095401961 187627635 /nfs/dbraw/zinc/62/76/35/187627635.db2.gz USMVQQYAXDYDFX-ZANVPECISA-N 0 0 221.275 2.755 50 0 BFAARN CC(C)(C)c1ccc(SCC(N)=O)cc1 ZINC000000617345 187641591 /nfs/dbraw/zinc/64/15/91/187641591.db2.gz QGFYJIMQGPLKIG-UHFFFAOYSA-N 0 0 223.341 2.562 50 0 BFAARN CCCCCCNC(=O)c1ccn(C)c1C ZINC000195033461 168666865 /nfs/dbraw/zinc/66/68/65/168666865.db2.gz ARTVIJQRNQYBHU-UHFFFAOYSA-N 0 0 222.332 2.644 50 0 BFAARN CC(C)c1cc(Br)ccn1 ZINC000044118618 363185127 /nfs/dbraw/zinc/18/51/27/363185127.db2.gz LUDCJEGSWQBSKR-UHFFFAOYSA-N 0 0 200.079 2.968 50 0 BFAARN COC(=O)c1cc(-c2cc(C)c(C)cc2C)[nH]n1 ZINC000604941636 352406100 /nfs/dbraw/zinc/40/61/00/352406100.db2.gz KYIRXIILWHMMTA-UHFFFAOYSA-N 0 0 244.294 2.789 50 0 BFAARN CC(C)n1ccnc1CN[C@@H](C)CC(F)(F)F ZINC000534659682 352599108 /nfs/dbraw/zinc/59/91/08/352599108.db2.gz HSJZMIOWULJDOS-VIFPVBQESA-N 0 0 249.280 2.895 50 0 BFAARN Cc1c2nc(N)sc2ccc1Br ZINC000229213585 352652496 /nfs/dbraw/zinc/65/24/96/352652496.db2.gz IVXQBGMLYMGHFZ-UHFFFAOYSA-N 0 0 243.129 2.949 50 0 BFAARN CCCCCC[C@H]1N=C(C)O[C@H]1C(=O)OCC ZINC000002077682 168680090 /nfs/dbraw/zinc/68/00/90/168680090.db2.gz YTAGBHAZHZJPHG-VXGBXAGGSA-N 0 0 241.331 2.706 50 0 BFAARN CCCCCC[C@H]1N=C(C)O[C@@H]1C(=O)OCC ZINC000002077680 168680237 /nfs/dbraw/zinc/68/02/37/168680237.db2.gz YTAGBHAZHZJPHG-NEPJUHHUSA-N 0 0 241.331 2.706 50 0 BFAARN CC(C)(C)c1cnn(-c2ccccc2O)c1 ZINC000075626703 187942930 /nfs/dbraw/zinc/94/29/30/187942930.db2.gz UCXJWSZQNMIGIJ-UHFFFAOYSA-N 0 0 216.284 2.875 50 0 BFAARN COc1cccc(NC(=O)CC[C@@H]2CCCO2)c1 ZINC000031872421 187938166 /nfs/dbraw/zinc/93/81/66/187938166.db2.gz ZXJQEACQKIIIMX-LBPRGKRZSA-N 0 0 249.310 2.593 50 0 BFAARN CCc1cnccc1C(=O)N(C)[C@H](C)C1CCC1 ZINC000097110875 187976459 /nfs/dbraw/zinc/97/64/59/187976459.db2.gz HVRBQHNLPHWMAV-LLVKDONJSA-N 0 0 246.354 2.905 50 0 BFAARN CCC/C=C/S(=O)(=O)c1ccccc1 ZINC000003086338 187988820 /nfs/dbraw/zinc/98/88/20/187988820.db2.gz MLLZGYHCJOGPBH-JXMROGBWSA-N 0 0 210.298 2.774 50 0 BFAARN CCn1nc(C)cc1NC(=O)c1cc(C)oc1C ZINC000028305674 188009995 /nfs/dbraw/zinc/00/99/95/188009995.db2.gz WGFAZQGJCMGOBR-UHFFFAOYSA-N 0 0 247.298 2.674 50 0 BFAARN CC(C)(C)c1nc(C(=O)N2CCCC2)cs1 ZINC000096402851 188017010 /nfs/dbraw/zinc/01/70/10/188017010.db2.gz AZEXFLVBSVRPRU-UHFFFAOYSA-N 0 0 238.356 2.677 50 0 BFAARN C=CC(=O)O[C@H]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000242687327 188018937 /nfs/dbraw/zinc/01/89/37/188018937.db2.gz UFMAVTXURXGNCN-KUZKSGFYSA-N 0 0 206.285 2.540 50 0 BFAARN FC(F)(F)COc1ncccc1Cl ZINC000230531436 180884516 /nfs/dbraw/zinc/88/45/16/180884516.db2.gz OPHKOTDXPHQBSI-UHFFFAOYSA-N 0 0 211.570 2.676 50 0 BFAARN FC(F)(F)[C@]1(c2ccccc2)CCCN1 ZINC000060280102 180890858 /nfs/dbraw/zinc/89/08/58/180890858.db2.gz SFSYMZXWRKWMMD-SNVBAGLBSA-N 0 0 215.218 2.828 50 0 BFAARN FC(F)[C@@H]1C[C@H](c2ccco2)Nc2ccnn21 ZINC000002783356 180909092 /nfs/dbraw/zinc/90/90/92/180909092.db2.gz HMUFMRKIUCOGLX-SFYZADRCSA-N 0 0 239.225 2.839 50 0 BFAARN FC(F)c1nc(C(F)F)nc(C(F)F)n1 ZINC000016082644 180910894 /nfs/dbraw/zinc/91/08/94/180910894.db2.gz MVQIQWCWIMQVFD-UHFFFAOYSA-N 0 0 231.099 2.684 50 0 BFAARN C1=CC[C@@H]2CN(c3nc(C4CC4)ns3)C[C@H]2C1 ZINC000089598201 188271576 /nfs/dbraw/zinc/27/15/76/188271576.db2.gz XLIZNSJDJQDVLO-GHMZBOCLSA-N 0 0 247.367 2.818 50 0 BFAARN CC(C)(C)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000000031535 188272352 /nfs/dbraw/zinc/27/23/52/188272352.db2.gz OMZGRADPBIJTNO-UHFFFAOYSA-N 0 0 231.295 2.638 50 0 BFAARN C[C@](O)(c1ccccc1)[C@@](C)(O)c1ccccc1 ZINC000000042834 188272539 /nfs/dbraw/zinc/27/25/39/188272539.db2.gz URPRLFISKOCZHR-HOTGVXAUSA-N 0 0 242.318 2.802 50 0 BFAARN CC(=O)Nc1cccc2c(NC(C)=O)cccc12 ZINC000000241993 188272630 /nfs/dbraw/zinc/27/26/30/188272630.db2.gz ULUIRSHKJWANPP-UHFFFAOYSA-N 0 0 242.278 2.757 50 0 BFAARN COc1cc(N)ccc1NC(=O)C1CCCCC1 ZINC000000874519 188273340 /nfs/dbraw/zinc/27/33/40/188273340.db2.gz AUFCZEZTTPWDSP-UHFFFAOYSA-N 0 0 248.326 2.796 50 0 BFAARN CC(=O)O[C@H]1CCCC[C@H]1n1nc(C)cc1C ZINC000000553891 188273372 /nfs/dbraw/zinc/27/33/72/188273372.db2.gz OIBGRPDKPXNRMM-OLZOCXBDSA-N 0 0 236.315 2.547 50 0 BFAARN Cc1ccc(COC(=O)c2cccnc2)cc1 ZINC000000394249 188273573 /nfs/dbraw/zinc/27/35/73/188273573.db2.gz FJVNGRMIYSCHDN-UHFFFAOYSA-N 0 0 227.263 2.747 50 0 BFAARN OC(c1ccc(F)cc1)(C1CC1)C1CC1 ZINC000000394401 188273588 /nfs/dbraw/zinc/27/35/88/188273588.db2.gz UZLKOZBJNPWGSK-UHFFFAOYSA-N 0 0 206.260 2.833 50 0 BFAARN COc1ccc(C(=O)c2ccccc2OC)cc1 ZINC000001734081 188274267 /nfs/dbraw/zinc/27/42/67/188274267.db2.gz QWWJLMQOKZOTNX-UHFFFAOYSA-N 0 0 242.274 2.935 50 0 BFAARN CCCCCC12CCC(O)(CC1)CC2=O ZINC000002485708 188274904 /nfs/dbraw/zinc/27/49/04/188274904.db2.gz LEZZYYVNWRDDLI-UHFFFAOYSA-N 0 0 210.317 2.831 50 0 BFAARN CC(=O)Nc1cc(-c2csc(C)n2)ccc1O ZINC000004218724 188276886 /nfs/dbraw/zinc/27/68/86/188276886.db2.gz JWMCGGXFFCYBOF-UHFFFAOYSA-N 0 0 248.307 2.783 50 0 BFAARN CCc1cc(Br)ccc1O ZINC000005688567 188277464 /nfs/dbraw/zinc/27/74/64/188277464.db2.gz MAAADQMBQYSOOG-UHFFFAOYSA-N 0 0 201.063 2.717 50 0 in-vitro BFAARN Cc1ccc(NC(=O)NCCc2ccco2)cc1 ZINC000009869968 188278775 /nfs/dbraw/zinc/27/87/75/188278775.db2.gz GQWHSGWIUKDXGC-UHFFFAOYSA-N 0 0 244.294 2.952 50 0 BFAARN C/C=C/COC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000009502167 188278892 /nfs/dbraw/zinc/27/88/92/188278892.db2.gz GLQPCXNDZVYWAA-AATRIKPKSA-N 0 0 235.283 2.567 50 0 BFAARN Cc1cccc(NC(=S)N(C)C)c1C ZINC000013659028 188280130 /nfs/dbraw/zinc/28/01/30/188280130.db2.gz QCVVHTZKUVAIDK-UHFFFAOYSA-N 0 0 208.330 2.562 50 0 BFAARN COc1cc(N)ccc1NC(=O)OC(C)(C)C ZINC000019414471 188280345 /nfs/dbraw/zinc/28/03/45/188280345.db2.gz YUSDXMQVJPPUTH-UHFFFAOYSA-N 0 0 238.287 2.624 50 0 BFAARN COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000016971605 188280982 /nfs/dbraw/zinc/28/09/82/188280982.db2.gz COSNGNOZECLPTG-OUJBWJOFSA-N 0 0 233.311 2.528 50 0 BFAARN Cc1cccc(NC(=O)c2ccc(C)c(N)c2)n1 ZINC000019811722 188281653 /nfs/dbraw/zinc/28/16/53/188281653.db2.gz ZTHAUTYIMJBRQT-UHFFFAOYSA-N 0 0 241.294 2.533 50 0 BFAARN N#CNC(c1ccccc1)c1ccccc1 ZINC000027526950 188283193 /nfs/dbraw/zinc/28/31/93/188283193.db2.gz MGNSFCPBKOUHBL-UHFFFAOYSA-N 0 0 208.264 2.847 50 0 BFAARN C[C@@H](C1CC1)N(C)C(=O)Nc1ccccc1 ZINC000025511701 188283299 /nfs/dbraw/zinc/28/32/99/188283299.db2.gz QQCKYPRPBJMSMT-JTQLQIEISA-N 0 0 218.300 2.949 50 0 BFAARN C[C@H](Cc1cccs1)NC(=O)c1ccco1 ZINC000036396036 188286160 /nfs/dbraw/zinc/28/61/60/188286160.db2.gz CKYXOKWOHKVFLC-SECBINFHSA-N 0 0 235.308 2.702 50 0 BFAARN CC(C)(C)n1nc(-c2ccccc2)cc1N ZINC000037295105 188286882 /nfs/dbraw/zinc/28/68/82/188286882.db2.gz RNVAHWVDOAYMFU-UHFFFAOYSA-N 0 0 215.300 2.887 50 0 BFAARN CC(=O)c1csc(Br)c1 ZINC000039268248 188290578 /nfs/dbraw/zinc/29/05/78/188290578.db2.gz BEDKDDPMXRCHPJ-UHFFFAOYSA-N 0 0 205.076 2.713 50 0 BFAARN CC(C)(O)c1cc(Cl)nc(Cl)c1 ZINC000039613797 188291364 /nfs/dbraw/zinc/29/13/64/188291364.db2.gz LBBHWFKUZYUWNB-UHFFFAOYSA-N 0 0 206.072 2.616 50 0 BFAARN Ic1ccc2cc[nH]c2c1 ZINC000042689367 188294767 /nfs/dbraw/zinc/29/47/67/188294767.db2.gz UYFYWUXBZHYQRM-UHFFFAOYSA-N 0 0 243.047 2.773 50 0 BFAARN CC(C)(C)c1cc(NC(=O)C2CCCC2)n[nH]1 ZINC000048750497 188297356 /nfs/dbraw/zinc/29/73/56/188297356.db2.gz LSKAFQKQQKARLN-UHFFFAOYSA-N 0 0 235.331 2.836 50 0 BFAARN CC(C)=CC(=O)N(Cc1ccncc1)C1CC1 ZINC000047630337 188297380 /nfs/dbraw/zinc/29/73/80/188297380.db2.gz WENKKJXVZHWXST-UHFFFAOYSA-N 0 0 230.311 2.539 50 0 BFAARN Cn1cccc1[C@@H]1COCCN1[C@H]1C=CCCC1 ZINC000189579479 353306113 /nfs/dbraw/zinc/30/61/13/353306113.db2.gz CGVCALGOFTZFEH-ZFWWWQNUSA-N 0 0 246.354 2.507 50 0 BFAARN CC(=O)Cc1ccc(Br)c(F)c1 ZINC000072300468 188307427 /nfs/dbraw/zinc/30/74/27/188307427.db2.gz ROXPVELGOJOGDC-UHFFFAOYSA-N 0 0 231.064 2.720 50 0 BFAARN CC(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000096119774 188321129 /nfs/dbraw/zinc/32/11/29/188321129.db2.gz AGMNVCCGIPLFJH-ZDUSSCGKSA-N 0 0 235.302 2.942 50 0 BFAARN CC1(C)OCc2c1nc(Cl)nc2Cl ZINC000095829767 188321627 /nfs/dbraw/zinc/32/16/27/188321627.db2.gz IGGHWEUEJMUGHP-UHFFFAOYSA-N 0 0 219.071 2.549 50 0 BFAARN CC(=O)Cc1cc(Cl)cnc1Cl ZINC000085477174 188317125 /nfs/dbraw/zinc/31/71/25/188317125.db2.gz QPQJNQHWLHPQML-UHFFFAOYSA-N 0 0 204.056 2.520 50 0 BFAARN CC1(C)C[C@]23C(=O)CCC(=O)[C@@]2(C)CC[C@@H]13 ZINC000001410175 188334687 /nfs/dbraw/zinc/33/46/87/188334687.db2.gz PLFWLYJWPAOEIB-FZZIBODNSA-N 0 0 220.312 2.751 50 0 BFAARN Cc1cc(CN(C)C(=O)C2CCCCC2)no1 ZINC000046059814 353395939 /nfs/dbraw/zinc/39/59/39/353395939.db2.gz LJVKOSAVDSFMMG-UHFFFAOYSA-N 0 0 236.315 2.522 50 0 BFAARN C/C=C/C[S@@](=O)CCc1ccc(OC)cc1 ZINC000190782395 188349906 /nfs/dbraw/zinc/34/99/06/188349906.db2.gz GSJUXIOGVLZTMR-QDLOVBKTSA-N 0 0 238.352 2.563 50 0 BFAARN C=CS(=O)(=O)Oc1ccc2ccccc2c1 ZINC000020064381 188352394 /nfs/dbraw/zinc/35/23/94/188352394.db2.gz TXVQFMUZRPCEJI-UHFFFAOYSA-N 0 0 234.276 2.692 50 0 BFAARN Cc1[nH]n(C(C)C)c2nc(C3CCOCC3)nc1-2 ZINC000020598969 188354049 /nfs/dbraw/zinc/35/40/49/188354049.db2.gz LJLDNGQNEIXDDC-UHFFFAOYSA-N 0 0 248.330 2.543 50 0 BFAARN Fc1cc(NCc2cc[nH]n2)ccc1Cl ZINC000037070250 180955029 /nfs/dbraw/zinc/95/50/29/180955029.db2.gz JTGLXDQXXCWKOM-UHFFFAOYSA-N 0 0 225.654 2.814 50 0 BFAARN C/C=C/C=C\C(=O)NCc1ccc(F)cc1 ZINC000096647476 188365848 /nfs/dbraw/zinc/36/58/48/188365848.db2.gz IOFLAOIRUCCRRC-IAROGAJJSA-N 0 0 219.259 2.574 50 0 BFAARN CC(C)(C)OC(=O)CCC(=O)Cc1ccccc1 ZINC000238852639 188369388 /nfs/dbraw/zinc/36/93/88/188369388.db2.gz GSNPCIQEMIVIJG-UHFFFAOYSA-N 0 0 248.322 2.920 50 0 BFAARN Fc1ccc(-c2nc(-c3ccccn3)no2)cc1 ZINC000001400889 180958181 /nfs/dbraw/zinc/95/81/81/180958181.db2.gz WXBDWIMYVYHZBI-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN Fc1ccc(CNc2cc(Cl)ncn2)cc1 ZINC000038579851 180970607 /nfs/dbraw/zinc/97/06/07/180970607.db2.gz MYVPHLWTSQJTPS-UHFFFAOYSA-N 0 0 237.665 2.881 50 0 BFAARN Fc1ccc(NC2N=NC(=S)S2)cc1 ZINC000004218702 180979651 /nfs/dbraw/zinc/97/96/51/180979651.db2.gz WIIOPIYGNZKALU-UHFFFAOYSA-N 0 0 227.289 2.710 50 0 BFAARN Fc1cccc2c1CC[C@H]2Nc1ncccn1 ZINC000049322124 181006762 /nfs/dbraw/zinc/00/67/62/181006762.db2.gz JFOIDCIHDQCEDO-GFCCVEGCSA-N 0 0 229.258 2.715 50 0 BFAARN CC(=O)C(Cl)=NNc1ccc(Cl)cc1 ZINC000252438281 363248862 /nfs/dbraw/zinc/24/88/62/363248862.db2.gz RJHCGGWBOWGPJS-UHFFFAOYSA-N 0 0 231.082 2.893 50 0 BFAARN Fc1nc(N2CCCC2)ccc1Br ZINC000039961264 181021519 /nfs/dbraw/zinc/02/15/19/181021519.db2.gz LMZXGFVWFGHXJZ-UHFFFAOYSA-N 0 0 245.095 2.583 50 0 BFAARN CN(C)c1cc2c(cc1N)-c1ccccc1C2 ZINC000000393542 363292557 /nfs/dbraw/zinc/29/25/57/363292557.db2.gz CTOSRWHCZAOILV-UHFFFAOYSA-N 0 0 224.307 2.906 50 0 BFAARN CCc1cccc(CC)c1NC(=O)OC ZINC000000397309 363293337 /nfs/dbraw/zinc/29/33/37/363293337.db2.gz SAXDMAADCDBZRV-UHFFFAOYSA-N 0 0 207.273 2.990 50 0 BFAARN O=C(c1sccc1-n1cccc1)N1CCCC1 ZINC000003958810 363364934 /nfs/dbraw/zinc/36/49/34/363364934.db2.gz VMAGHUFMZMLPJB-UHFFFAOYSA-N 0 0 246.335 2.775 50 0 BFAARN COc1cc(F)ccc1NC(=O)C1CCCC1 ZINC000032797022 354580656 /nfs/dbraw/zinc/58/06/56/354580656.db2.gz DAJCQVKIROAIFD-UHFFFAOYSA-N 0 0 237.274 2.963 50 0 BFAARN CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000032837019 354593196 /nfs/dbraw/zinc/59/31/96/354593196.db2.gz HHYNEHZUEXAJOV-UHFFFAOYSA-N 0 0 215.252 2.833 50 0 BFAARN Cc1ccc(CN(C)C(=O)C2CCCC2)o1 ZINC000033024041 354595173 /nfs/dbraw/zinc/59/51/73/354595173.db2.gz YCDCPRJULDFDSA-UHFFFAOYSA-N 0 0 221.300 2.737 50 0 BFAARN CCc1ccc(C(=O)Nc2cc(C)nn2C)cc1 ZINC000040030714 358488575 /nfs/dbraw/zinc/48/85/75/358488575.db2.gz GTNFWHRFFPWMLX-UHFFFAOYSA-N 0 0 243.310 2.543 50 0 BFAARN Cc1cc(C)cc(Cn2ccccc2=O)c1 ZINC000040486004 358492208 /nfs/dbraw/zinc/49/22/08/358492208.db2.gz XREHFKKSWVXJMI-UHFFFAOYSA-N 0 0 213.280 2.513 50 0 BFAARN N/C=C1/c2ccccc2N(c2ccccc2)C1=O ZINC000018024336 181184533 /nfs/dbraw/zinc/18/45/33/181184533.db2.gz ILRKIKISVKWUOW-RAXLEYEMSA-N 0 0 236.274 2.665 50 0 BFAARN CC(=O)Nc1nc2c(ccc(C)c2C)s1 ZINC000004275345 355333475 /nfs/dbraw/zinc/33/34/75/355333475.db2.gz LUQNWNTXHDZPRD-UHFFFAOYSA-N 0 0 220.297 2.872 50 0 BFAARN CCCCC[S@@](=O)c1ccccc1OC ZINC000191181448 168748020 /nfs/dbraw/zinc/74/80/20/168748020.db2.gz JSJBFZUCSXEQHF-OAHLLOKOSA-N 0 0 226.341 2.993 50 0 BFAARN COC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000001459476 355770409 /nfs/dbraw/zinc/77/04/09/355770409.db2.gz HNBZCWLAXPVXER-SNVBAGLBSA-N 0 0 222.284 2.750 50 0 BFAARN NC(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000044278792 181212745 /nfs/dbraw/zinc/21/27/45/181212745.db2.gz FIRQSWVNPHDZGQ-HJWRWDBZSA-N 0 0 231.295 2.507 50 0 BFAARN CC(C)(C)NC(=O)Nc1ccc2nccnc2c1 ZINC000001188386 355903160 /nfs/dbraw/zinc/90/31/60/355903160.db2.gz LTTKIGSXIAQOSY-UHFFFAOYSA-N 0 0 244.298 2.550 50 0 in-vitro BFAARN COC(OC)c1ccc(Br)cc1F ZINC000016158738 355885827 /nfs/dbraw/zinc/88/58/27/355885827.db2.gz LUBJMTAUCIBGNJ-UHFFFAOYSA-N 0 0 249.079 2.880 50 0 BFAARN NC(=O)CSc1cc(Cl)ccc1Cl ZINC000001733028 181239851 /nfs/dbraw/zinc/23/98/51/181239851.db2.gz BYHZPPKAVSWEBE-UHFFFAOYSA-N 0 0 236.123 2.571 50 0 BFAARN NC(=O)CCSCC1CCCCCC1 ZINC000097115491 181226742 /nfs/dbraw/zinc/22/67/42/181226742.db2.gz RQIJPUGTKXHMKE-UHFFFAOYSA-N 0 0 215.362 2.565 50 0 BFAARN O=C(N[C@H]1C=CCCC1)[C@@H]1CCC(F)(F)C1 ZINC000336082634 134075624 /nfs/dbraw/zinc/07/56/24/134075624.db2.gz WUEBKKQLBAHNSN-ZJUUUORDSA-N 0 0 229.270 2.647 50 0 BFAARN Nc1c2ccccc2oc1C(=O)c1ccncc1 ZINC000034458012 356367955 /nfs/dbraw/zinc/36/79/55/356367955.db2.gz RQHPIGKVUAOAMT-UHFFFAOYSA-N 0 0 238.246 2.641 50 0 BFAARN CN(C)c1ccc2c(c1)[C@@H](O)c1ccccc1-2 ZINC000000398916 356358175 /nfs/dbraw/zinc/35/81/75/356358175.db2.gz MSIXALXXSRXADA-HNNXBMFYSA-N 0 0 225.291 2.815 50 0 BFAARN O=C(CCC1CCCC1)N1CCSCC1 ZINC000049213301 356373250 /nfs/dbraw/zinc/37/32/50/356373250.db2.gz UUESLQQKTXKHNB-UHFFFAOYSA-N 0 0 227.373 2.532 50 0 BFAARN CC1(C)CC=C[C@@H]2[C@@H]3CC[C@H](O)C[C@@H]3C(=O)C[C@@H]21 ZINC000071786951 356374714 /nfs/dbraw/zinc/37/47/14/356374714.db2.gz MTJMYAZFXJFQQG-HPCHECBXSA-N 0 0 248.366 2.955 50 0 BFAARN CC1=CC[C@@H]2[C@@H](O)[C@H]3CC(C)=CC[C@@H]3[C@H](O)[C@@H]2C1 ZINC000101082810 356376803 /nfs/dbraw/zinc/37/68/03/356376803.db2.gz VJTLGAFBMXQRLJ-AYYATWNNSA-N 0 0 248.366 2.667 50 0 BFAARN NC(=O)c1c(F)c(Cl)ccc1C(F)(F)F ZINC000002382040 181286607 /nfs/dbraw/zinc/28/66/07/181286607.db2.gz OQHHVMDGJULHEK-UHFFFAOYSA-N 0 0 241.571 2.597 50 0 BFAARN CCN(C(=O)c1ccccc1Cl)C1CC1 ZINC000032760899 363553713 /nfs/dbraw/zinc/55/37/13/363553713.db2.gz UDMDGBFJGTXDEP-UHFFFAOYSA-N 0 0 223.703 2.965 50 0 BFAARN CCCC[C@]1(C)NC(=O)N(c2ccccc2C)N1 ZINC000334160686 134159824 /nfs/dbraw/zinc/15/98/24/134159824.db2.gz JVMOXIVUWQUSGA-CQSZACIVSA-N 0 0 247.342 2.936 50 0 BFAARN Cc1cnc(Cl)nc1SC(C)C ZINC000085788701 538546901 /nfs/dbraw/zinc/54/69/01/538546901.db2.gz CHBGYWRMFYQDAI-UHFFFAOYSA-N 0 0 202.710 2.939 50 0 BFAARN C[C@H]1CCCCC[C@H]1Nc1ncccn1 ZINC000083949618 538525963 /nfs/dbraw/zinc/52/59/63/538525963.db2.gz ULKLEJFHKDMDOU-WDEREUQCSA-N 0 0 205.305 2.857 50 0 BFAARN C[C@@H]1CCCCC[C@@H]1Nc1ncccn1 ZINC000083949615 538526264 /nfs/dbraw/zinc/52/62/64/538526264.db2.gz ULKLEJFHKDMDOU-MNOVXSKESA-N 0 0 205.305 2.857 50 0 BFAARN Cc1cccc(CNc2ccnn2C)c1C ZINC000089686457 538582135 /nfs/dbraw/zinc/58/21/35/538582135.db2.gz SOKHNSXMPKKCSU-UHFFFAOYSA-N 0 0 215.300 2.649 50 0 BFAARN O=C(c1cccs1)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000089799904 538583134 /nfs/dbraw/zinc/58/31/34/538583134.db2.gz FDGUUEWNXDFVOP-QWRGUYRKSA-N 0 0 233.336 2.786 50 0 BFAARN C1CC1c1noc(N2CC[C@H]3CCCC[C@H]32)n1 ZINC000089818730 538584160 /nfs/dbraw/zinc/58/41/60/538584160.db2.gz NPCVOFCJMBTDJU-MWLCHTKSSA-N 0 0 233.315 2.716 50 0 BFAARN Fc1ccc(/C=C/c2ccnnc2)c(F)c1 ZINC000095434383 538602228 /nfs/dbraw/zinc/60/22/28/538602228.db2.gz BOEZEZHAUYIAGI-OWOJBTEDSA-N 0 0 218.206 2.925 50 0 BFAARN O=C(Nc1ncccc1F)c1cccc(F)c1 ZINC000095440931 538605672 /nfs/dbraw/zinc/60/56/72/538605672.db2.gz MPMSFGIPEJDGLT-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN Cc1cnn(-c2cccc(N3CCCCC3)n2)c1 ZINC000095418158 538610193 /nfs/dbraw/zinc/61/01/93/538610193.db2.gz WIUJOQLFAIBPOV-UHFFFAOYSA-N 0 0 242.326 2.566 50 0 BFAARN c1cc(CNc2cncc3ccccc32)n[nH]1 ZINC000095976034 538614671 /nfs/dbraw/zinc/61/46/71/538614671.db2.gz YFXXZEHWCBVCBK-UHFFFAOYSA-N 0 0 224.267 2.570 50 0 BFAARN Cc1ccsc1C(=O)NC(=N)C(C)(C)C ZINC000095452481 491103809 /nfs/dbraw/zinc/10/38/09/491103809.db2.gz LOPPVWMVPWJVDH-UHFFFAOYSA-N 0 0 224.329 2.810 50 0 BFAARN CCOc1cc2ccccc2cc1C(=O)N(C)C ZINC000012553554 538766480 /nfs/dbraw/zinc/76/64/80/538766480.db2.gz ZUEGEJGRGNIXBT-UHFFFAOYSA-N 0 0 243.306 2.940 50 0 BFAARN COc1cc(O)c(Cl)cc1Br ZINC000261494021 491106899 /nfs/dbraw/zinc/10/68/99/491106899.db2.gz OCBTVVTVZLPKBI-UHFFFAOYSA-N 0 0 237.480 2.817 50 0 BFAARN c1csc(-c2cn3c(n2)CCCC3)c1 ZINC000026441354 357120115 /nfs/dbraw/zinc/12/01/15/357120115.db2.gz ABIGKHIPRZYAID-UHFFFAOYSA-N 0 0 204.298 2.948 50 0 BFAARN Cc1occc1SCc1cc(=O)c(O)co1 ZINC000131376661 325143876 /nfs/dbraw/zinc/14/38/76/325143876.db2.gz UMDOTWLNHYIJPN-UHFFFAOYSA-N 0 0 238.264 2.539 50 0 BFAARN Cc1ccc(C)c(COC(=O)c2cccn2C)c1 ZINC000008944315 538879675 /nfs/dbraw/zinc/87/96/75/538879675.db2.gz CVGHXQUBIBQUFZ-UHFFFAOYSA-N 0 0 243.306 2.999 50 0 BFAARN Cc1ccc(NC(=O)c2cnc(C)cn2)c(C)c1 ZINC000006340339 357993997 /nfs/dbraw/zinc/99/39/97/357993997.db2.gz PXYUYQYKILTPLR-UHFFFAOYSA-N 0 0 241.294 2.654 50 0 BFAARN Fc1ccc(CSc2ccncn2)cc1 ZINC000035655325 358013386 /nfs/dbraw/zinc/01/33/86/358013386.db2.gz LQTNTRYJOBSOEJ-UHFFFAOYSA-N 0 0 220.272 2.908 50 0 BFAARN CCCCCC(=O)Nc1cccc(O)c1 ZINC000001756292 358433626 /nfs/dbraw/zinc/43/36/26/358433626.db2.gz RCZJWCZIRXWIOU-UHFFFAOYSA-N 0 0 207.273 2.911 50 0 BFAARN CC(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000050490391 358729964 /nfs/dbraw/zinc/72/99/64/358729964.db2.gz SXGHYHSPEBRZFO-UHFFFAOYSA-N 0 0 228.251 2.832 50 0 BFAARN CCc1noc(C)c1C(=O)N1CCCCCC1 ZINC000061468505 358934052 /nfs/dbraw/zinc/93/40/52/358934052.db2.gz CZSFSIYBYDQINT-UHFFFAOYSA-N 0 0 236.315 2.562 50 0 BFAARN Cc1occc1C(=O)N1CCCc2ncccc21 ZINC000072242273 359084237 /nfs/dbraw/zinc/08/42/37/359084237.db2.gz HKNSMWMGVWTNGS-UHFFFAOYSA-N 0 0 242.278 2.576 50 0 BFAARN C[C@@H](N[C@H]1CCCc2occc21)c1nccn1C ZINC000070443745 359054157 /nfs/dbraw/zinc/05/41/57/359054157.db2.gz AEVWHCSRGYFHTI-PWSUYJOCSA-N 0 0 245.326 2.741 50 0 BFAARN CC(C)CSc1nnc2[nH]c3ccccc3n21 ZINC000006503538 359755922 /nfs/dbraw/zinc/75/59/22/359755922.db2.gz VNUQAPCFQSENAD-UHFFFAOYSA-N 0 0 246.339 2.959 50 0 BFAARN O=C1CCCN1c1nc(-c2ccccc2)cs1 ZINC000006508385 359774095 /nfs/dbraw/zinc/77/40/95/359774095.db2.gz FKVUYEBROQKEAR-UHFFFAOYSA-N 0 0 244.319 2.937 50 0 BFAARN CCCCN1Cc2ccccc2O[C@H](C)C1=O ZINC000064542466 360159826 /nfs/dbraw/zinc/15/98/26/360159826.db2.gz BEBIKQJKBLSEJZ-LLVKDONJSA-N 0 0 233.311 2.596 50 0 BFAARN NC(=O)c1ccc(OCc2cccc(F)c2)cc1 ZINC000006704008 181300658 /nfs/dbraw/zinc/30/06/58/181300658.db2.gz VXQFOZIOPNEWKW-UHFFFAOYSA-N 0 0 245.253 2.504 50 0 BFAARN c1ccc2c(c1)nnn2-c1ccnc2ccccc21 ZINC000006616422 360536015 /nfs/dbraw/zinc/53/60/15/360536015.db2.gz GEADCECZUFEFBC-UHFFFAOYSA-N 0 0 246.273 2.969 50 0 BFAARN NC(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000005189872 181306011 /nfs/dbraw/zinc/30/60/11/181306011.db2.gz ZTZKGIWBBDEPSU-UHFFFAOYSA-N 0 0 245.253 2.504 50 0 BFAARN NC(=O)c1ccccc1NCc1ccccc1F ZINC000048416921 181306735 /nfs/dbraw/zinc/30/67/35/181306735.db2.gz CCBSEOZQQGXHAH-UHFFFAOYSA-N 0 0 244.269 2.537 50 0 BFAARN CN(Cc1ccoc1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000426435471 200695518 /nfs/dbraw/zinc/69/55/18/200695518.db2.gz YXNXDAMNPKHQDN-SIMOQEFBSA-N 0 0 245.322 2.530 50 0 BFAARN COC(=O)c1cnc(C(F)(F)F)c(Cl)c1 ZINC000238327812 360875493 /nfs/dbraw/zinc/87/54/93/360875493.db2.gz FHHJFYADOXLDNX-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN NC(=S)CCCc1c[nH]c2ccccc12 ZINC000018279420 181314779 /nfs/dbraw/zinc/31/47/79/181314779.db2.gz QJOQSAMYQIHILJ-UHFFFAOYSA-N 0 0 218.325 2.777 50 0 biogenic BFAARN CC(C)(C)C(=O)CSC(=S)N1CCCC1 ZINC000006823388 360941919 /nfs/dbraw/zinc/94/19/19/360941919.db2.gz WQBRLYPNUMQNMS-UHFFFAOYSA-N 0 0 245.413 2.716 50 0 BFAARN NC(=S)Nc1ccc(-c2ccccc2)cc1O ZINC000169725199 181319532 /nfs/dbraw/zinc/31/95/32/181319532.db2.gz PMNKTFHNBWMUDO-UHFFFAOYSA-N 0 0 244.319 2.715 50 0 BFAARN NC(=S)Nc1cccc(Cl)c1Cl ZINC000002528124 181319863 /nfs/dbraw/zinc/31/98/63/181319863.db2.gz AHQMVDBEJWQFIR-UHFFFAOYSA-N 0 0 221.112 2.649 50 0 BFAARN NC(=S)c1ccc(-c2ccccc2)cc1 ZINC000021968994 181320668 /nfs/dbraw/zinc/32/06/68/181320668.db2.gz HYDDAJTWPBWUOB-UHFFFAOYSA-N 0 0 213.305 2.988 50 0 in-vitro BFAARN COCc1ccccc1CNC(=O)C1CCCC1 ZINC000036393987 361079400 /nfs/dbraw/zinc/07/94/00/361079400.db2.gz ZUDKXOQJHLNNTD-UHFFFAOYSA-N 0 0 247.338 2.639 50 0 BFAARN CON(C)C(=O)c1occc1-c1ccccc1 ZINC000036396253 361081928 /nfs/dbraw/zinc/08/19/28/361081928.db2.gz FKPJZDVOHPMCBM-UHFFFAOYSA-N 0 0 231.251 2.580 50 0 BFAARN CC[C@@H](C)NC(=O)c1ccc2ccccc2n1 ZINC000007003826 361170076 /nfs/dbraw/zinc/17/00/76/361170076.db2.gz SWNCREUURWDINS-SNVBAGLBSA-N 0 0 228.295 2.763 50 0 BFAARN CCn1nc(-c2cc(C)ccc2C)nc1N(C)C ZINC000426473356 200988563 /nfs/dbraw/zinc/98/85/63/200988563.db2.gz CUJKOARIYNRICI-UHFFFAOYSA-N 0 0 244.342 2.648 50 0 BFAARN CNC(=O)c1cccnc1/C=C/c1ccccc1 ZINC000426515516 200992348 /nfs/dbraw/zinc/99/23/48/200992348.db2.gz LFAVVIRBFKXFJG-MDZDMXLPSA-N 0 0 238.290 2.612 50 0 BFAARN CCc1nc([C@H]2CCCN2[C@@H]2C=CCCC2)no1 ZINC000257365275 370689486 /nfs/dbraw/zinc/68/94/86/370689486.db2.gz OVGWYGKOWXOEJI-VXGBXAGGSA-N 0 0 247.342 2.878 50 0 BFAARN CN(C(=O)C1CCCCCCC1)c1cn[nH]c1 ZINC000170017694 361377483 /nfs/dbraw/zinc/37/74/83/361377483.db2.gz XQCOTKDQESYWIC-UHFFFAOYSA-N 0 0 235.331 2.733 50 0 BFAARN CC(C)CNC(=O)[C@@H](C)c1ccccc1 ZINC000163561981 361514449 /nfs/dbraw/zinc/51/44/49/361514449.db2.gz ROIMNKGFRQUDBH-NSHDSACASA-N 0 0 205.301 2.562 50 0 BFAARN Cc1ccc(CNc2ccc(N(C)C)nc2)o1 ZINC000036988867 361591184 /nfs/dbraw/zinc/59/11/84/361591184.db2.gz KJVYINGAPAKYHB-UHFFFAOYSA-N 0 0 231.299 2.661 50 0 BFAARN CC(=O)Nc1ccc(-c2nc(N)sc2C)cc1 ZINC000007278821 361578837 /nfs/dbraw/zinc/57/88/37/361578837.db2.gz YWHFXONPZMWKPA-UHFFFAOYSA-N 0 0 247.323 2.659 50 0 BFAARN Cc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1F ZINC000015084699 363982779 /nfs/dbraw/zinc/98/27/79/363982779.db2.gz COJLTFCILGNGNW-SCZZXKLOSA-N 0 0 207.248 2.729 50 0 BFAARN C[C@H](NC(=O)c1ccccn1)c1ccccc1F ZINC000026680652 541499860 /nfs/dbraw/zinc/49/98/60/541499860.db2.gz OBKZAEVYJVWRRR-JTQLQIEISA-N 0 0 244.269 2.712 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NC1(c2ccccc2)CCC1 ZINC000032841206 541502328 /nfs/dbraw/zinc/50/23/28/541502328.db2.gz NWKRUTIFHKDZNJ-YPMHNXCESA-N 0 0 229.323 2.838 50 0 BFAARN C[C@H]1Oc2c(cccc2C(=O)N2CCCC2)[C@@H]1C ZINC000032820037 541502475 /nfs/dbraw/zinc/50/24/75/541502475.db2.gz AQICUQZJCACHLG-GHMZBOCLSA-N 0 0 245.322 2.807 50 0 BFAARN O=C1CCC(=O)N1c1ccc(Cl)cc1Cl ZINC000003161455 367817815 /nfs/dbraw/zinc/81/78/15/367817815.db2.gz CILRPNWGXZWSEA-UHFFFAOYSA-N 0 0 244.077 2.647 50 0 BFAARN CCN(CC)C(=O)N(CC)Cc1ccccc1 ZINC000004858166 368101451 /nfs/dbraw/zinc/10/14/51/368101451.db2.gz ICZCGQYOKCNCAN-UHFFFAOYSA-N 0 0 234.343 2.970 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000016970237 368368047 /nfs/dbraw/zinc/36/80/47/368368047.db2.gz MNFOEAXSHGSEIY-NTZNESFSSA-N 0 0 217.312 2.828 50 0 BFAARN CSc1nc2c(C(C)C)cnn2c(Cl)n1 ZINC000221951773 368363231 /nfs/dbraw/zinc/36/32/31/368363231.db2.gz RRBPEHJNXHJYQN-UHFFFAOYSA-N 0 0 242.735 2.623 50 0 BFAARN CC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000201909784 368398361 /nfs/dbraw/zinc/39/83/61/368398361.db2.gz YBYYACQGRIOADW-UHFFFAOYSA-N 0 0 241.331 2.613 50 0 BFAARN CCOC(=O)C(C)(C)Cc1ccc(F)cc1 ZINC000204212526 368399306 /nfs/dbraw/zinc/39/93/06/368399306.db2.gz IIYWOHWSAOGQHF-UHFFFAOYSA-N 0 0 224.275 2.958 50 0 BFAARN Brc1ccc(-c2ccncn2)s1 ZINC000138121253 368390956 /nfs/dbraw/zinc/39/09/56/368390956.db2.gz ZFBBQTASCQOFTA-UHFFFAOYSA-N 0 0 241.113 2.968 50 0 BFAARN O=c1cc(-c2ccccc2)n(-c2ccccc2)[nH]1 ZINC000000185933 368514550 /nfs/dbraw/zinc/51/45/50/368514550.db2.gz UDVCBWHKPVRDRP-UHFFFAOYSA-N 0 0 236.274 2.833 50 0 BFAARN C(=C/c1nc(C2CC2)no1)\c1ccco1 ZINC000072274917 368772064 /nfs/dbraw/zinc/77/20/64/368772064.db2.gz PDBMKXDOAMBPSJ-AATRIKPKSA-N 0 0 202.213 2.710 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000253356193 368937579 /nfs/dbraw/zinc/93/75/79/368937579.db2.gz DRZPSBQCDQSQNS-WHOHXGKFSA-N 0 0 209.333 2.680 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000253356194 368937657 /nfs/dbraw/zinc/93/76/57/368937657.db2.gz DRZPSBQCDQSQNS-WISYIIOYSA-N 0 0 209.333 2.680 50 0 BFAARN Cc1cc(O)ccc1C(=O)N(C)C[C@H]1CC1(C)C ZINC000584887859 369036026 /nfs/dbraw/zinc/03/60/26/369036026.db2.gz FVQWLZZDWHOCHF-LLVKDONJSA-N 0 0 247.338 2.819 50 0 BFAARN COc1cccc2ncn(C3CCCC3)c(=O)c21 ZINC000584895440 369042442 /nfs/dbraw/zinc/04/24/42/369042442.db2.gz ZQIPDMADQGEVNE-UHFFFAOYSA-N 0 0 244.294 2.520 50 0 BFAARN CN(C(=O)c1ccoc1)c1ccc(F)cc1 ZINC000055750594 369340323 /nfs/dbraw/zinc/34/03/23/369340323.db2.gz RHCHLMQKCQAJQT-UHFFFAOYSA-N 0 0 219.215 2.695 50 0 BFAARN Cc1cccc(-c2c(O)cc(=O)[nH]c2Cl)c1 ZINC000018008803 369369916 /nfs/dbraw/zinc/36/99/16/369369916.db2.gz SCYBPECWYNVLHC-UHFFFAOYSA-N 0 0 235.670 2.709 50 0 BFAARN Cc1ccc(-c2nc3ccc(C)cc3c(=O)[nH]2)o1 ZINC000077257377 370404567 /nfs/dbraw/zinc/40/45/67/370404567.db2.gz VHPZPXVRPSNQFS-UHFFFAOYSA-N 0 0 240.262 2.800 50 0 BFAARN Cc1ccc(F)c(NC(=O)c2ccco2)c1 ZINC000009836470 370557657 /nfs/dbraw/zinc/55/76/57/370557657.db2.gz SREBDKUWXKJGHE-UHFFFAOYSA-N 0 0 219.215 2.979 50 0 BFAARN Cc1csc(NC(=O)[C@H]2CC=CCC2)n1 ZINC000010554424 370621889 /nfs/dbraw/zinc/62/18/89/370621889.db2.gz ZVRMNQKQTAAMLF-VIFPVBQESA-N 0 0 222.313 2.746 50 0 BFAARN C[C@@H](NC(=O)N(C)[C@H](C)C1CC1)c1ccccn1 ZINC000079213019 371186250 /nfs/dbraw/zinc/18/62/50/371186250.db2.gz HBTQPSFSJDWGOJ-GHMZBOCLSA-N 0 0 247.342 2.583 50 0 BFAARN Cc1cc(C)cc(NC[C@@H](O)COC(C)C)c1 ZINC000037880747 371186614 /nfs/dbraw/zinc/18/66/14/371186614.db2.gz BKZQJQSDSPGDHA-CQSZACIVSA-N 0 0 237.343 2.501 50 0 BFAARN Nc1cc(F)c(Br)c(Cl)c1 ZINC000117172391 181685087 /nfs/dbraw/zinc/68/50/87/181685087.db2.gz VOPLRYDSRVEQDI-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN Nc1cc(NC(=O)C2CCC2)ccc1Cl ZINC000020157154 181689066 /nfs/dbraw/zinc/68/90/66/181689066.db2.gz FWSCSECFJSTIHR-UHFFFAOYSA-N 0 0 224.691 2.661 50 0 BFAARN Nc1ccc(OC(F)F)cc1C(F)(F)F ZINC000258833726 181720130 /nfs/dbraw/zinc/72/01/30/181720130.db2.gz LJANQNKQAWVRFO-UHFFFAOYSA-N 0 0 227.132 2.889 50 0 BFAARN Fc1cc2nccnc2cc1Br ZINC000161719537 371556256 /nfs/dbraw/zinc/55/62/56/371556256.db2.gz ZLMXEQNQJFSIMI-UHFFFAOYSA-N 0 0 227.036 2.531 50 0 BFAARN Nc1cccc2cncc(Br)c12 ZINC000032501157 181750486 /nfs/dbraw/zinc/75/04/86/181750486.db2.gz RJLUYBOSXJNQBN-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Nc1ccccc1OCCc1cccs1 ZINC000012395369 181756885 /nfs/dbraw/zinc/75/68/85/181756885.db2.gz AENSVGIHKAVJHW-UHFFFAOYSA-N 0 0 219.309 2.952 50 0 BFAARN O=C(c1ccsc1)N1CCc2ccccc2C1 ZINC000022588480 371551624 /nfs/dbraw/zinc/55/16/24/371551624.db2.gz YGWAVQJNEKPARF-UHFFFAOYSA-N 0 0 243.331 2.947 50 0 BFAARN Nc1nsc2ccc(Br)cc12 ZINC000003818470 181817978 /nfs/dbraw/zinc/81/79/78/181817978.db2.gz NTLSBZHEUNMUAP-UHFFFAOYSA-N 0 0 229.102 2.641 50 0 BFAARN CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000003045629 371856349 /nfs/dbraw/zinc/85/63/49/371856349.db2.gz KKNCMPFBSNHOCN-NSHDSACASA-N 0 0 217.312 2.834 50 0 BFAARN CCONC(=O)Nc1c(C)cccc1Cl ZINC000132556818 371861016 /nfs/dbraw/zinc/86/10/16/371861016.db2.gz HJAXESFXQSNHIQ-UHFFFAOYSA-N 0 0 228.679 2.721 50 0 BFAARN O=Cc1ccc(Cl)cc1OCC(F)F ZINC000163062734 371923437 /nfs/dbraw/zinc/92/34/37/371923437.db2.gz JSKIDUZMUWOKRS-UHFFFAOYSA-N 0 0 220.602 2.796 50 0 BFAARN Cc1ccsc1C(=O)Nc1nccs1 ZINC000003253587 371931757 /nfs/dbraw/zinc/93/17/57/371931757.db2.gz HZAGOXGWDWIBJC-UHFFFAOYSA-N 0 0 224.310 2.765 50 0 BFAARN O=C(/C=C/c1ccncc1)NC1CCCCC1 ZINC000029107269 181845419 /nfs/dbraw/zinc/84/54/19/181845419.db2.gz AYXQPVVPMAMUBJ-VOTSOKGWSA-N 0 0 230.311 2.544 50 0 BFAARN O=C(/C=C\c1ccncc1)Nc1ccccc1 ZINC000017039409 181850323 /nfs/dbraw/zinc/85/03/23/181850323.db2.gz NWTBOZPPBLPZSI-SREVYHEPSA-N 0 0 224.263 2.734 50 0 BFAARN Cc1ccc([C@H](O)c2ccncc2)cc1C ZINC000031773367 372106527 /nfs/dbraw/zinc/10/65/27/372106527.db2.gz AYUKCBQGSQHISM-CQSZACIVSA-N 0 0 213.280 2.780 50 0 BFAARN Cc1ccc(N(N)CCc2ccc(C)nc2)cc1 ZINC000003877490 372083726 /nfs/dbraw/zinc/08/37/26/372083726.db2.gz MSWINDLFZDBCLY-UHFFFAOYSA-N 0 0 241.338 2.621 50 0 BFAARN COc1ccccc1NC(=O)CC[C@@H]1CCCO1 ZINC000031872450 372121029 /nfs/dbraw/zinc/12/10/29/372121029.db2.gz GJYVEFWWLRYXBU-NSHDSACASA-N 0 0 249.310 2.593 50 0 BFAARN CC(C)(C)NC(=O)NCc1ccc(C2CC2)nc1 ZINC000606440517 372100785 /nfs/dbraw/zinc/10/07/85/372100785.db2.gz GMADCJZUEGCUTO-UHFFFAOYSA-N 0 0 247.342 2.557 50 0 BFAARN COc1cccc(C=Cc2nccc(=O)[nH]2)c1F ZINC000606442529 372103546 /nfs/dbraw/zinc/10/35/46/372103546.db2.gz WHSSFGJHCOYYHN-WAYWQWQTSA-N 0 0 246.241 2.500 50 0 BFAARN Cc1ncoc1C(=O)Nc1ccc(C)cc1C ZINC000004148058 372151361 /nfs/dbraw/zinc/15/13/61/372151361.db2.gz FRBIEQYWBLQRSD-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN CCCC(=O)NCc1ccc2c(cc(C)n2C)c1 ZINC000004057379 372127094 /nfs/dbraw/zinc/12/70/94/372127094.db2.gz DJEXVOVJJGMKCM-UHFFFAOYSA-N 0 0 244.338 2.903 50 0 BFAARN CC(C)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000004256857 372186894 /nfs/dbraw/zinc/18/68/94/372186894.db2.gz GWCDPLRUJBSOTG-QMMMGPOBSA-N 0 0 238.356 2.862 50 0 BFAARN Cc1cc(C)n(C(=O)/C=C/c2ccc(F)cc2)n1 ZINC000004263694 372189843 /nfs/dbraw/zinc/18/98/43/372189843.db2.gz TYBBZRMIEDZJDD-VMPITWQZSA-N 0 0 244.269 2.993 50 0 BFAARN O=C(CCOc1ccccc1)Nc1nccs1 ZINC000002474029 181921545 /nfs/dbraw/zinc/92/15/45/181921545.db2.gz AUQIYEJVOFEAAP-UHFFFAOYSA-N 0 0 248.307 2.551 50 0 BFAARN O=C(CCc1ccco1)Nc1cccc(F)c1 ZINC000012976343 181934875 /nfs/dbraw/zinc/93/48/75/181934875.db2.gz MDANSIRORZQUMY-UHFFFAOYSA-N 0 0 233.242 2.990 50 0 BFAARN O=C(COCc1ccccc1)CC(F)(F)F ZINC000095629894 181999039 /nfs/dbraw/zinc/99/90/39/181999039.db2.gz YVRIEBHNJAOGCT-UHFFFAOYSA-N 0 0 232.201 2.725 50 0 BFAARN O=C(CSc1ccc(Cl)cc1)N1CCC1 ZINC000012913966 182009675 /nfs/dbraw/zinc/00/96/75/182009675.db2.gz WNGJFMFMZSMXGJ-UHFFFAOYSA-N 0 0 241.743 2.664 50 0 BFAARN O=C(Cc1ccc2ccccc2n1)C(F)(F)F ZINC000002472162 182038228 /nfs/dbraw/zinc/03/82/28/182038228.db2.gz LVPPHTPGIQXDGP-UHFFFAOYSA-N 0 0 239.196 2.909 50 0 BFAARN O=C(Cc1cccc(C(F)(F)F)c1)NC1CC1 ZINC000040458953 182040821 /nfs/dbraw/zinc/04/08/21/182040821.db2.gz NBMGLTNKTLGVQY-UHFFFAOYSA-N 0 0 243.228 2.527 50 0 BFAARN O=C(Cc1ccccc1)NC1CCCCC1 ZINC000000339690 182042930 /nfs/dbraw/zinc/04/29/30/182042930.db2.gz ZFEBPJQSSNUJGT-UHFFFAOYSA-N 0 0 217.312 2.678 50 0 in-vivo BFAARN O=C(Cc1ccccc1F)NC1CCCCC1 ZINC000040459368 182045408 /nfs/dbraw/zinc/04/54/08/182045408.db2.gz ZFMDWNDVMVVGLW-UHFFFAOYSA-N 0 0 235.302 2.817 50 0 BFAARN O=C(Cc1cccc(Cl)c1)N1CCCCC1 ZINC000067899628 182041069 /nfs/dbraw/zinc/04/10/69/182041069.db2.gz PJOZATNDDTWHSX-UHFFFAOYSA-N 0 0 237.730 2.895 50 0 BFAARN O=C(Cc1cccs1)N1CCCCCC1 ZINC000002739544 182050917 /nfs/dbraw/zinc/05/09/17/182050917.db2.gz HDELGGLECHXKCT-UHFFFAOYSA-N 0 0 223.341 2.693 50 0 BFAARN O=C(Cc1cccs1)NCCc1ccccc1 ZINC000000758810 182051115 /nfs/dbraw/zinc/05/11/15/182051115.db2.gz IMDYORYAFZEJDG-UHFFFAOYSA-N 0 0 245.347 2.650 50 0 BFAARN CCSc1nnc(C)n1Cc1ccccc1 ZINC000039763153 373037300 /nfs/dbraw/zinc/03/73/00/373037300.db2.gz ACXZVFUAUWEQNI-UHFFFAOYSA-N 0 0 233.340 2.747 50 0 BFAARN O=C(Cc1ccsc1)NCc1cccs1 ZINC000005617290 182059492 /nfs/dbraw/zinc/05/94/92/182059492.db2.gz XLWOUXFVUHIWPR-UHFFFAOYSA-N 0 0 237.349 2.669 50 0 BFAARN Cc1cc(-c2nc(-c3ccccc3F)no2)n[nH]1 ZINC000009002109 373116451 /nfs/dbraw/zinc/11/64/51/373116451.db2.gz CKMKHFDDRHKWAG-UHFFFAOYSA-N 0 0 244.229 2.574 50 0 BFAARN CC(C)=CC(=O)Nc1ccc(Cl)cn1 ZINC000040049291 373096947 /nfs/dbraw/zinc/09/69/47/373096947.db2.gz YGEVILRIKUDXBK-UHFFFAOYSA-N 0 0 210.664 2.640 50 0 BFAARN O=C(N1CCCC1)C1(c2ccc(Cl)cc2)CC1 ZINC000038247320 182079687 /nfs/dbraw/zinc/07/96/87/182079687.db2.gz BXSFGZLHJMXZTG-UHFFFAOYSA-N 0 0 249.741 2.994 50 0 BFAARN CC(C)CNC(=O)Nc1ccccc1N(C)C ZINC000069445446 373278421 /nfs/dbraw/zinc/27/84/21/373278421.db2.gz BJLSTUXHLDLYRW-UHFFFAOYSA-N 0 0 235.331 2.530 50 0 BFAARN O=C(NC1(c2ccc(F)cc2)CC1)c1ccc[nH]1 ZINC000041570657 182090746 /nfs/dbraw/zinc/09/07/46/182090746.db2.gz IACRFEJGOYZIJO-UHFFFAOYSA-N 0 0 244.269 2.573 50 0 BFAARN O=C(NC1CC1)c1ccc(-c2cccs2)nc1 ZINC000064542327 182100605 /nfs/dbraw/zinc/10/06/05/182100605.db2.gz HHXABFNOVRDXOU-UHFFFAOYSA-N 0 0 244.319 2.702 50 0 BFAARN O=C(NCc1ccco1)N1CCCCCCC1 ZINC000040474189 373294215 /nfs/dbraw/zinc/29/42/15/373294215.db2.gz VOXKHLLYWADHCH-UHFFFAOYSA-N 0 0 236.315 2.755 50 0 BFAARN O=C(NC1CC1)N1CCC(c2ccccc2)CC1 ZINC000049127176 182095464 /nfs/dbraw/zinc/09/54/64/182095464.db2.gz NCHUOSMPVBQYSZ-UHFFFAOYSA-N 0 0 244.338 2.738 50 0 BFAARN O=C(NC1CC1)c1cc2c(s1)CCCC2 ZINC000014796776 182099349 /nfs/dbraw/zinc/09/93/49/182099349.db2.gz YEBYPMQZVHFPBH-UHFFFAOYSA-N 0 0 221.325 2.519 50 0 BFAARN O=C(NC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000000141596 182099643 /nfs/dbraw/zinc/09/96/43/182099643.db2.gz BLJZGFYVMHVFHW-UHFFFAOYSA-N 0 0 229.201 2.598 50 0 BFAARN O=C(NC1CCCC1)c1cccc2ncccc21 ZINC000014300975 182112004 /nfs/dbraw/zinc/11/20/04/182112004.db2.gz JPRTUBXHPWUAIW-UHFFFAOYSA-N 0 0 240.306 2.907 50 0 BFAARN O=C(NC1CCCC1)c1cc(F)ccc1F ZINC000012971846 182109836 /nfs/dbraw/zinc/10/98/36/182109836.db2.gz AQAUULDCFIXSAI-UHFFFAOYSA-N 0 0 225.238 2.637 50 0 BFAARN O=C(NC1CCCC1)[C@H]1Cc2ccccc2S1 ZINC000014267188 182110507 /nfs/dbraw/zinc/11/05/07/182110507.db2.gz WOGHONOXLYQEKZ-CYBMUJFWSA-N 0 0 247.363 2.762 50 0 BFAARN O=C(NC1CCCC1)c1cc2ccccc2[nH]1 ZINC000008076216 182110518 /nfs/dbraw/zinc/11/05/18/182110518.db2.gz ZNKBBMZRJCPTSI-UHFFFAOYSA-N 0 0 228.295 2.840 50 0 BFAARN O=C(NC1CCCC1)c1ccc2c(c1)CCC2 ZINC000007889098 182111068 /nfs/dbraw/zinc/11/10/68/182111068.db2.gz XSUGUUPZDYQTDK-UHFFFAOYSA-N 0 0 229.323 2.848 50 0 BFAARN O=C(NCC(F)(F)F)c1cc2ccccc2o1 ZINC000005419217 182123552 /nfs/dbraw/zinc/12/35/52/182123552.db2.gz XBPNKUQBTDERHL-UHFFFAOYSA-N 0 0 243.184 2.725 50 0 BFAARN C[C@H](Cc1ccco1)NC(=O)c1ccsc1 ZINC000040510232 373407033 /nfs/dbraw/zinc/40/70/33/373407033.db2.gz LEGVGMUVWQVKCZ-SECBINFHSA-N 0 0 235.308 2.702 50 0 BFAARN O=C(NCC1CC1)c1ccc(Cl)s1 ZINC000032909793 182142585 /nfs/dbraw/zinc/14/25/85/182142585.db2.gz NQGWGCZKXHTYLJ-UHFFFAOYSA-N 0 0 215.705 2.541 50 0 BFAARN Cc1nscc1C(=O)Nc1ccccc1 ZINC000040757010 373686689 /nfs/dbraw/zinc/68/66/89/373686689.db2.gz FHVXJENXQVGAEM-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN O=C(NCCCCc1ccccc1)C(F)(F)F ZINC000002737847 182166183 /nfs/dbraw/zinc/16/61/83/182166183.db2.gz OYCUUTDAXGYQHU-UHFFFAOYSA-N 0 0 245.244 2.688 50 0 BFAARN O=C(NCCCc1ccccc1F)C1CC=CC1 ZINC000279924529 182174914 /nfs/dbraw/zinc/17/49/14/182174914.db2.gz GRCPWFRWAXDKEA-UHFFFAOYSA-N 0 0 247.313 2.841 50 0 BFAARN O=C(NCCOc1ccccc1)C1CCCCC1 ZINC000003002774 182197393 /nfs/dbraw/zinc/19/73/93/182197393.db2.gz HMHKCGHCAYDCII-UHFFFAOYSA-N 0 0 247.338 2.762 50 0 BFAARN O=C(NCCSc1ccccc1)C1CCC1 ZINC000032741248 182198320 /nfs/dbraw/zinc/19/83/20/182198320.db2.gz BATCUQQFYYGCKK-UHFFFAOYSA-N 0 0 235.352 2.695 50 0 BFAARN O=C(NCCc1ccc(Cl)s1)C1CCC1 ZINC000049008010 182201509 /nfs/dbraw/zinc/20/15/09/182201509.db2.gz FZXMYICQJRBMGQ-UHFFFAOYSA-N 0 0 243.759 2.860 50 0 BFAARN O=C(NCCc1ccc(F)cc1Cl)C1CC1 ZINC000084344193 182202985 /nfs/dbraw/zinc/20/29/85/182202985.db2.gz XSDBAHKQKTZIHZ-UHFFFAOYSA-N 0 0 241.693 2.548 50 0 BFAARN O=C(NCCc1cccc(Cl)c1)C1CCC1 ZINC000036396620 182203618 /nfs/dbraw/zinc/20/36/18/182203618.db2.gz OHOQLYIBYSVPIU-UHFFFAOYSA-N 0 0 237.730 2.799 50 0 BFAARN O=C(NCCc1cccs1)c1ccsc1 ZINC000036395188 182209157 /nfs/dbraw/zinc/20/91/57/182209157.db2.gz XBLCUTQDQUXFHP-UHFFFAOYSA-N 0 0 237.349 2.782 50 0 BFAARN Cc1cccn(Cc2ccc(Cl)s2)c1=O ZINC000069951737 374100765 /nfs/dbraw/zinc/10/07/65/374100765.db2.gz LSPQVIGYIAGPIM-UHFFFAOYSA-N 0 0 239.727 2.920 50 0 BFAARN CC(C)NC(=O)Nc1cccc2c1ccn2C ZINC000069966890 374104561 /nfs/dbraw/zinc/10/45/61/374104561.db2.gz FJIWDODZGDQDKI-UHFFFAOYSA-N 0 0 231.299 2.708 50 0 BFAARN CC(C)C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000041421368 374139389 /nfs/dbraw/zinc/13/93/89/374139389.db2.gz NWYKBEGZNZJPER-GXTWGEPZSA-N 0 0 247.338 2.631 50 0 BFAARN CCCC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000041421358 374140227 /nfs/dbraw/zinc/14/02/27/374140227.db2.gz GKLSZOUTWOXCQU-JSGCOSHPSA-N 0 0 247.338 2.775 50 0 BFAARN Cc1nc(CNC(=O)c2ccccc2)sc1C ZINC000041538641 374145315 /nfs/dbraw/zinc/14/53/15/374145315.db2.gz VJHXNLISIYYCHR-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN O=C(NCc1cccc(Cl)c1)c1ccoc1 ZINC000016199689 182254044 /nfs/dbraw/zinc/25/40/44/182254044.db2.gz MFEQSONCVSDJAE-UHFFFAOYSA-N 0 0 235.670 2.863 50 0 BFAARN O=C(NCc1cccs1)C1CCCCC1 ZINC000000376574 182263007 /nfs/dbraw/zinc/26/30/07/182263007.db2.gz QTYJPNRSYXQPSF-UHFFFAOYSA-N 0 0 223.341 2.945 50 0 BFAARN CC(C)c1noc(CN([C@H](C)C2CC2)C2CC2)n1 ZINC000042123696 374250521 /nfs/dbraw/zinc/25/05/21/374250521.db2.gz TXBYCYZPARQSDG-SNVBAGLBSA-N 0 0 249.358 2.956 50 0 BFAARN O=C(NCc1cccs1)c1ccc(Cl)o1 ZINC000021328962 182264400 /nfs/dbraw/zinc/26/44/00/182264400.db2.gz ROTCRCPYGPDVSA-UHFFFAOYSA-N 0 0 241.699 2.925 50 0 BFAARN O=C(NCc1cccs1)c1cc(C2CC2)on1 ZINC000002497941 182264878 /nfs/dbraw/zinc/26/48/78/182264878.db2.gz PGGCCFBTIHMECP-UHFFFAOYSA-N 0 0 248.307 2.544 50 0 BFAARN CC(C)(C)OC(=O)N1CC(Nc2ccccc2)C1 ZINC000071335037 374264105 /nfs/dbraw/zinc/26/41/05/374264105.db2.gz YJTLPHYGSXHPTE-UHFFFAOYSA-N 0 0 248.326 2.718 50 0 BFAARN O=C(NCc1ccccc1)c1cc(Cl)ccn1 ZINC000022560885 182256753 /nfs/dbraw/zinc/25/67/53/182256753.db2.gz XNKYZWCVSFIEPN-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN O=C(NCc1ccccc1)c1ccc(F)c(F)c1 ZINC000001117019 182257205 /nfs/dbraw/zinc/25/72/05/182257205.db2.gz NZOXBWNGOPAGPD-UHFFFAOYSA-N 0 0 247.244 2.895 50 0 BFAARN O=C(NCc1ccccc1Cl)c1ccncc1 ZINC000000453069 182257312 /nfs/dbraw/zinc/25/73/12/182257312.db2.gz ACUCQBLIAFXAOP-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN O=C(NCc1ccccc1)c1ccccc1 ZINC000000101707 182257423 /nfs/dbraw/zinc/25/74/23/182257423.db2.gz LKQUCICFTHBFAL-UHFFFAOYSA-N 0 0 211.264 2.617 50 0 biogenic BFAARN O=C(NCc1ccco1)NC1CCCCCC1 ZINC000032841342 182261757 /nfs/dbraw/zinc/26/17/57/182261757.db2.gz JGRKSEQJWFLLBW-UHFFFAOYSA-N 0 0 236.315 2.802 50 0 BFAARN O=C(NCc1ccco1)[C@@H]1C[C@H]1c1ccccc1 ZINC000002747345 182261806 /nfs/dbraw/zinc/26/18/06/182261806.db2.gz YMFYOUIQBHWTQR-UONOGXRCSA-N 0 0 241.290 2.700 50 0 BFAARN Cc1cc(C(=O)N(CCC(C)C)C2CC2)on1 ZINC000042767333 374287436 /nfs/dbraw/zinc/28/74/36/374287436.db2.gz OCGXDARKYSUJBP-UHFFFAOYSA-N 0 0 236.315 2.634 50 0 BFAARN CCCCNC(=O)[C@H](CC)Oc1ccccc1 ZINC000004702900 168859772 /nfs/dbraw/zinc/85/97/72/168859772.db2.gz FJCOBMDIUKPQAD-ZDUSSCGKSA-N 0 0 235.327 2.760 50 0 BFAARN O=C(N[C@@H]1CCCc2occc21)C1CCCC1 ZINC000069375617 182302890 /nfs/dbraw/zinc/30/28/90/182302890.db2.gz IGWNDVJKKSAUPU-GFCCVEGCSA-N 0 0 233.311 2.963 50 0 BFAARN O=C(N[C@@H]1CCSc2ccccc21)C1CC1 ZINC000008848254 182309458 /nfs/dbraw/zinc/30/94/58/182309458.db2.gz PQBMKXHXYUHGQP-LLVKDONJSA-N 0 0 233.336 2.750 50 0 BFAARN CCCCNC(=O)c1c[nH]nc1-c1ccccc1 ZINC000029002188 168863344 /nfs/dbraw/zinc/86/33/44/168863344.db2.gz KNCVVUBQLSDOIC-UHFFFAOYSA-N 0 0 243.310 2.607 50 0 BFAARN O=C(N[C@H]1CC=CCC1)[C@@H]1CCC(F)(F)C1 ZINC000336538157 182327237 /nfs/dbraw/zinc/32/72/37/182327237.db2.gz XEDYOJLVZQBAAH-ZJUUUORDSA-N 0 0 229.270 2.647 50 0 BFAARN CC(C)(C)OCCSC1=NCCS1 ZINC000194655506 206104339 /nfs/dbraw/zinc/10/43/39/206104339.db2.gz KNXPWLHWNGFSMY-UHFFFAOYSA-N 0 0 219.375 2.638 50 0 BFAARN O=C(N[C@H]1CCCc2occc21)C1CCCC1 ZINC000069375621 182335198 /nfs/dbraw/zinc/33/51/98/182335198.db2.gz IGWNDVJKKSAUPU-LBPRGKRZSA-N 0 0 233.311 2.963 50 0 BFAARN O=C(N[C@H]1CCc2cc(F)ccc21)C1CCC1 ZINC000048974585 182340768 /nfs/dbraw/zinc/34/07/68/182340768.db2.gz OTLRTRYFGMDLOZ-ZDUSSCGKSA-N 0 0 233.286 2.729 50 0 BFAARN O=C(Nc1ccc(F)c(Cl)c1)NC1CC1 ZINC000006727051 182353801 /nfs/dbraw/zinc/35/38/01/182353801.db2.gz MVNXOMHBQUTVKY-UHFFFAOYSA-N 0 0 228.654 2.763 50 0 BFAARN O=C(Nc1ccc(F)c(F)c1)c1ccoc1 ZINC000016199842 182355140 /nfs/dbraw/zinc/35/51/40/182355140.db2.gz QMVRZKLRCLQUAU-UHFFFAOYSA-N 0 0 223.178 2.810 50 0 BFAARN O=C(Nc1ccc(F)cc1)OCC(F)(F)F ZINC000007989006 182355531 /nfs/dbraw/zinc/35/55/31/182355531.db2.gz USGDKDSLXCJNIS-UHFFFAOYSA-N 0 0 237.152 2.937 50 0 BFAARN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCO1 ZINC000000474539 182355745 /nfs/dbraw/zinc/35/57/45/182355745.db2.gz HNPLEYZIPLVJED-SNVBAGLBSA-N 0 0 243.665 2.597 50 0 BFAARN O=C(Nc1ccc(F)c(F)c1)c1ccncc1 ZINC000000340467 182355891 /nfs/dbraw/zinc/35/58/91/182355891.db2.gz RKFJWPATYWDQHB-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN CCCCNC(=S)Nc1ccccc1OC ZINC000002892016 168865657 /nfs/dbraw/zinc/86/56/57/168865657.db2.gz CNOWDPKOJKPAEC-UHFFFAOYSA-N 0 0 238.356 2.782 50 0 BFAARN O=C(Nc1cc(Cl)ccc1F)NC1CC1 ZINC000043528309 182348316 /nfs/dbraw/zinc/34/83/16/182348316.db2.gz TYXDHBGLCOTXDC-UHFFFAOYSA-N 0 0 228.654 2.763 50 0 BFAARN O=C(Nc1cc(F)ccc1F)C1CCC1 ZINC000002871993 182349221 /nfs/dbraw/zinc/34/92/21/182349221.db2.gz KFCOJEGSLYYWHE-UHFFFAOYSA-N 0 0 211.211 2.703 50 0 BFAARN O=C(Nc1ccc(O)cc1)c1ccsc1 ZINC000020211285 182360559 /nfs/dbraw/zinc/36/05/59/182360559.db2.gz IKAKSUABEFMICS-UHFFFAOYSA-N 0 0 219.265 2.706 50 0 BFAARN O=C(Nc1ccc2n[nH]cc2c1)c1cccs1 ZINC000006448443 182362139 /nfs/dbraw/zinc/36/21/39/182362139.db2.gz ICQPXYOFNYTTBY-UHFFFAOYSA-N 0 0 243.291 2.877 50 0 BFAARN O=C(Nc1ccc2c(c1)CCO2)c1ccccc1 ZINC000032787449 182363679 /nfs/dbraw/zinc/36/36/79/182363679.db2.gz XIQFJDRNCDSCCY-UHFFFAOYSA-N 0 0 239.274 2.874 50 0 BFAARN O=C(Nc1ccc2c(c1)OCCCO2)C1CCC1 ZINC000007980181 182364079 /nfs/dbraw/zinc/36/40/79/182364079.db2.gz AHHLKFQBNBHMRH-UHFFFAOYSA-N 0 0 247.294 2.587 50 0 BFAARN O=C(Nc1ccccc1)Nc1ccccn1 ZINC000000095158 182375415 /nfs/dbraw/zinc/37/54/15/182375415.db2.gz FDMIXRXCYIIUDY-UHFFFAOYSA-N 0 0 213.240 2.726 50 0 BFAARN O=C(Nc1ccccc1)N1CCC=C(F)C1 ZINC000272532309 182375656 /nfs/dbraw/zinc/37/56/56/182375656.db2.gz FQTAXTNMXOUSNB-UHFFFAOYSA-N 0 0 220.247 2.778 50 0 BFAARN O=C(Nc1ccccc1CO)C1CCCCC1 ZINC000016449802 182378047 /nfs/dbraw/zinc/37/80/47/182378047.db2.gz KXTWMOJVFMDLCS-UHFFFAOYSA-N 0 0 233.311 2.698 50 0 BFAARN O=C(Nc1cccc(F)c1)c1cc(C2CC2)on1 ZINC000032871951 182370137 /nfs/dbraw/zinc/37/01/37/182370137.db2.gz KVQBCDNGVNOJKQ-UHFFFAOYSA-N 0 0 246.241 2.943 50 0 BFAARN O=C(Nc1cccc2cccnc21)c1ccncc1 ZINC000000362937 182372990 /nfs/dbraw/zinc/37/29/90/182372990.db2.gz LPPMWVKXXNJXLN-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1cccc2cccnc21)c1cccnc1 ZINC000002995956 182373244 /nfs/dbraw/zinc/37/32/44/182373244.db2.gz KLHHTSOKULJTJG-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1cccc2c[nH]nc21)C1CCCC1 ZINC000039551576 182373266 /nfs/dbraw/zinc/37/32/66/182373266.db2.gz FTHIWDPPQXKZTD-UHFFFAOYSA-N 0 0 229.283 2.692 50 0 BFAARN O=C(Nc1cccc2c1CCCC2)C1CC1 ZINC000015302699 182373443 /nfs/dbraw/zinc/37/34/43/182373443.db2.gz PVTZPRVQAUUGKC-UHFFFAOYSA-N 0 0 215.296 2.914 50 0 BFAARN O=C(Nc1cccc2cccnc21)N1CCCC1 ZINC000008844845 182373918 /nfs/dbraw/zinc/37/39/18/182373918.db2.gz DBSPWWMDZUPDNU-UHFFFAOYSA-N 0 0 241.294 2.863 50 0 BFAARN O=C(Nc1ccon1)c1cc2c(s1)CCCC2 ZINC000001055813 182389281 /nfs/dbraw/zinc/38/92/81/182389281.db2.gz XHGFQTUXAPINDR-UHFFFAOYSA-N 0 0 248.307 2.867 50 0 BFAARN O=C(Nc1ccccc1N1CCCC1)C1CC1 ZINC000012528262 182380217 /nfs/dbraw/zinc/38/02/17/182380217.db2.gz FYZPWJYKLXNYPJ-UHFFFAOYSA-N 0 0 230.311 2.635 50 0 BFAARN O=C(Nc1ccccc1O)c1cc(F)cc(F)c1 ZINC000009478299 182381157 /nfs/dbraw/zinc/38/11/57/182381157.db2.gz VDWVXBXTZRDQOJ-UHFFFAOYSA-N 0 0 249.216 2.923 50 0 BFAARN O=C(Nc1ccccn1)Nc1ccccc1F ZINC000016971317 182381447 /nfs/dbraw/zinc/38/14/47/182381447.db2.gz KBTNRAVEVPJEDI-UHFFFAOYSA-N 0 0 231.230 2.865 50 0 BFAARN O=C(Nc1ccccn1)NC1CCCCC1 ZINC000000400182 182381678 /nfs/dbraw/zinc/38/16/78/182381678.db2.gz OXPBPFDDWFFDNE-UHFFFAOYSA-N 0 0 219.288 2.536 50 0 BFAARN O=C(Nc1cccnc1)[C@H]1C[C@H]1c1ccccc1 ZINC000000140090 182383580 /nfs/dbraw/zinc/38/35/80/182383580.db2.gz WTOILWVPRTVEAN-KBPBESRZSA-N 0 0 238.290 2.824 50 0 BFAARN O=C(Nc1cccnc1)c1cc2ccccc2[nH]1 ZINC000015096892 182383793 /nfs/dbraw/zinc/38/37/93/182383793.db2.gz NLOUPEPYUGRKHG-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 BFAARN O=C(Nc1ccncc1)Oc1ccc(F)cc1 ZINC000263625386 182386080 /nfs/dbraw/zinc/38/60/80/182386080.db2.gz ZKKQCOGFCAGAAJ-UHFFFAOYSA-N 0 0 232.214 2.832 50 0 BFAARN O=C(Nc1ccncc1)OC1CCCCC1 ZINC000000196501 182386778 /nfs/dbraw/zinc/38/67/78/182386778.db2.gz BXXBFBQYNSTNNK-UHFFFAOYSA-N 0 0 220.272 2.963 50 0 BFAARN O=C(Nc1ccncc1)c1cccc(Cl)c1 ZINC000000383597 182387222 /nfs/dbraw/zinc/38/72/22/182387222.db2.gz AGEMHBDIONALQA-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1nc2ccc(F)cc2s1)C1CC1 ZINC000006322650 182397858 /nfs/dbraw/zinc/39/78/58/182397858.db2.gz XXNOQKJQGOFDDX-UHFFFAOYSA-N 0 0 236.271 2.784 50 0 BFAARN O=C(Nc1ncccc1Cl)[C@H]1C[C@@H]1C1CC1 ZINC000097046950 182399520 /nfs/dbraw/zinc/39/95/20/182399520.db2.gz CJKHKRZLNASZQB-BDAKNGLRSA-N 0 0 236.702 2.720 50 0 BFAARN O=C(Nc1cnoc1)C12CC3CC(CC(C3)C1)C2 ZINC000075170864 182396060 /nfs/dbraw/zinc/39/60/60/182396060.db2.gz XXPYBTZFANXCFJ-UHFFFAOYSA-N 0 0 246.310 2.830 50 0 BFAARN CCOC(=O)CC(C(F)(F)F)C(F)(F)F ZINC000002560298 170197025 /nfs/dbraw/zinc/19/70/25/170197025.db2.gz YFOXNPBIIPXUCG-UHFFFAOYSA-N 0 0 238.127 2.680 50 0 BFAARN O=C(OCc1cncs1)c1ccccc1 ZINC000001403713 182606457 /nfs/dbraw/zinc/60/64/57/182606457.db2.gz LWSYXDOLEIYNDH-UHFFFAOYSA-N 0 0 219.265 2.500 50 0 BFAARN O=C(OC1CCCCC1)c1cccnc1 ZINC000000345152 182600695 /nfs/dbraw/zinc/60/06/95/182600695.db2.gz DMOCRQCRHPKMRK-UHFFFAOYSA-N 0 0 205.257 2.571 50 0 BFAARN O=C(c1ccco1)N1CC[C@H](c2ccccc2)C1 ZINC000000260765 182686260 /nfs/dbraw/zinc/68/62/60/182686260.db2.gz WCDZIHJPPNZQLG-ZDUSSCGKSA-N 0 0 241.290 2.909 50 0 BFAARN O=C(c1ccco1)N1CCc2sccc2C1 ZINC000021626775 182686271 /nfs/dbraw/zinc/68/62/71/182686271.db2.gz RXHBICXBVNJFOY-UHFFFAOYSA-N 0 0 233.292 2.540 50 0 BFAARN O=C(c1ccncc1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000008428389 182689317 /nfs/dbraw/zinc/68/93/17/182689317.db2.gz OIVIFBSWWZLRPS-OCCSQVGLSA-N 0 0 244.338 2.734 50 0 BFAARN O=C(c1ccccn1)c1ccc(F)cc1F ZINC000043210489 182681540 /nfs/dbraw/zinc/68/15/40/182681540.db2.gz ZVYATEOQCVIQDD-UHFFFAOYSA-N 0 0 219.190 2.591 50 0 BFAARN O=C1/C(=C/c2cccs2)N=C2CCCCCN12 ZINC000003212377 182711743 /nfs/dbraw/zinc/71/17/43/182711743.db2.gz PAPOWTPPVPBJOI-LUAWRHEFSA-N 0 0 246.335 2.904 50 0 BFAARN O=C1CCc2cc(Br)ccc2C1 ZINC000004202740 182756498 /nfs/dbraw/zinc/75/64/98/182756498.db2.gz BYHKDUFPSJWJDI-UHFFFAOYSA-N 0 0 225.085 2.507 50 0 BFAARN O=C1NC2(CCCCC2)C(=O)N1c1ccccc1 ZINC000004981120 182789619 /nfs/dbraw/zinc/78/96/19/182789619.db2.gz IWJCNJMQZPEXHF-UHFFFAOYSA-N 0 0 244.294 2.650 50 0 BFAARN O=C1N=C2C=CC=CN2/C1=C\C=C\c1ccccc1 ZINC000016450880 182790269 /nfs/dbraw/zinc/79/02/69/182790269.db2.gz CWMKUDQJWPSZJE-NHZNEZGNSA-N 0 0 248.285 2.908 50 0 BFAARN O=C1N[C@H]([C@@H]2CC=CCC2)Nc2ccccc21 ZINC000000150116 182821328 /nfs/dbraw/zinc/82/13/28/182821328.db2.gz KORVABRTGPOWDA-ZWNOBZJWSA-N 0 0 228.295 2.524 50 0 BFAARN O=C1N[C@]23CC=CC[C@]12CCCCCC3 ZINC000001711596 182822127 /nfs/dbraw/zinc/82/21/27/182822127.db2.gz VFYRKGAMLRZLPZ-CHWSQXEVSA-N 0 0 205.301 2.546 50 0 BFAARN O=C1Nc2ccccc2C12CCCCC2 ZINC000032010007 182824784 /nfs/dbraw/zinc/82/47/84/182824784.db2.gz LLHRWZOIAVWPKH-UHFFFAOYSA-N 0 0 201.269 2.841 50 0 BFAARN O=Cc1cc(Br)cc(F)c1F ZINC000085224870 182861811 /nfs/dbraw/zinc/86/18/11/182861811.db2.gz WNJTWTDADQWUFR-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN O=Cc1ccc(-c2ccc(F)cc2)nc1 ZINC000002527560 182864363 /nfs/dbraw/zinc/86/43/63/182864363.db2.gz WESBCTRYJPEULH-UHFFFAOYSA-N 0 0 201.200 2.700 50 0 BFAARN O=Cc1cccc(-c2cccc(CO)c2)c1 ZINC000001256469 182870822 /nfs/dbraw/zinc/87/08/22/182870822.db2.gz OPBVFNNCJMBUPS-UHFFFAOYSA-N 0 0 212.248 2.658 50 0 BFAARN O=S(=O)(Cc1ccccc1)Nc1ccccc1 ZINC000000029852 182891083 /nfs/dbraw/zinc/89/10/83/182891083.db2.gz AUNYWGYRPIHMLM-UHFFFAOYSA-N 0 0 247.319 2.629 50 0 BFAARN O=S1(=O)C[C@]23CC=CC[C@@]2(C1)CCCCC3 ZINC000045027799 182914545 /nfs/dbraw/zinc/91/45/45/182914545.db2.gz CPKLIMBAKYFUMJ-BETUJISGSA-N 0 0 240.368 2.702 50 0 BFAARN CCCC[C@@H](C)c1nc(-c2ncccn2)no1 ZINC000252500490 168950271 /nfs/dbraw/zinc/95/02/71/168950271.db2.gz SWSUONDYMNEXRY-SECBINFHSA-N 0 0 232.287 2.820 50 0 BFAARN O=c1ccc(-c2ccc(Cl)cc2)c[nH]1 ZINC000038435194 182998092 /nfs/dbraw/zinc/99/80/92/182998092.db2.gz CICHMBLPJGYPGW-UHFFFAOYSA-N 0 0 205.644 2.695 50 0 BFAARN O=c1ccsn1-c1cccc(Cl)c1F ZINC000012367068 183006275 /nfs/dbraw/zinc/00/62/75/183006275.db2.gz FLVXYAGCEOJNQC-UHFFFAOYSA-N 0 0 229.663 2.692 50 0 BFAARN O=c1oc(/C=C/c2ccco2)nc2ccccc12 ZINC000004377496 183011954 /nfs/dbraw/zinc/01/19/54/183011954.db2.gz BZVYAIVUIDKPTL-BQYQJAHWSA-N 0 0 239.230 2.951 50 0 BFAARN O=c1oc(-c2ccco2)nc2cccc(F)c12 ZINC000000166933 183012030 /nfs/dbraw/zinc/01/20/30/183012030.db2.gz HOOHVAHOQJKLEC-UHFFFAOYSA-N 0 0 231.182 2.587 50 0 BFAARN O=c1sc2ccccc2n1Cc1ccccn1 ZINC000039281703 183012697 /nfs/dbraw/zinc/01/26/97/183012697.db2.gz DZANWURCSVYZTE-UHFFFAOYSA-N 0 0 242.303 2.506 50 0 BFAARN OC1CCC(OCc2ccccc2)CC1 ZINC000035636534 183028552 /nfs/dbraw/zinc/02/85/52/183028552.db2.gz GDGBMTDJFHTXID-UHFFFAOYSA-N 0 0 206.285 2.507 50 0 in-vitro BFAARN O=C1C(=Cc2ccco2)CCCC1=C1NCCN1 ZINC000057354880 183024066 /nfs/dbraw/zinc/02/40/66/183024066.db2.gz RGZZTCUBBYWLNB-MDZDMXLPSA-N 0 0 244.294 2.661 50 0 BFAARN OCCCC(O)(c1ccccc1)c1ccccc1 ZINC000001760650 183044035 /nfs/dbraw/zinc/04/40/35/183044035.db2.gz FMSXBGXFTZSEAU-UHFFFAOYSA-N 0 0 242.318 2.695 50 0 BFAARN OCC(Cl)(Cl)C(Cl)(Cl)Cl ZINC000003070144 183034247 /nfs/dbraw/zinc/03/42/47/183034247.db2.gz CKHVXOZLUZGGHA-UHFFFAOYSA-N 0 0 232.321 2.523 50 0 BFAARN OCCCN(Cc1ccco1)c1ccccc1 ZINC000069893214 183053816 /nfs/dbraw/zinc/05/38/16/183053816.db2.gz WGYQUXBGWDRCLN-UHFFFAOYSA-N 0 0 231.295 2.669 50 0 BFAARN OCCCc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000004243182 183063975 /nfs/dbraw/zinc/06/39/75/183063975.db2.gz FDRMNTVCDKSRNL-UHFFFAOYSA-N 0 0 244.216 2.507 50 0 in-vitro BFAARN OCCCc1cccc2c1SCCC2 ZINC000043198886 183064942 /nfs/dbraw/zinc/06/49/42/183064942.db2.gz BMHDZQMLHGCHJB-UHFFFAOYSA-N 0 0 208.326 2.650 50 0 BFAARN OCCCc1nc2cc3ccccc3cc2[nH]1 ZINC000002473596 183065039 /nfs/dbraw/zinc/06/50/39/183065039.db2.gz HEWMZTQOEWFDNV-UHFFFAOYSA-N 0 0 226.279 2.641 50 0 BFAARN OCCN(c1ccccc1)c1ccccc1 ZINC000001577344 183073381 /nfs/dbraw/zinc/07/33/81/183073381.db2.gz CMQZETQFZHIYJG-UHFFFAOYSA-N 0 0 213.280 2.817 50 0 BFAARN OCCN1c2ccccc2CCc2ccccc21 ZINC000000347217 183076377 /nfs/dbraw/zinc/07/63/77/183076377.db2.gz NAZDAHJWPFCBJK-UHFFFAOYSA-N 0 0 239.318 2.916 50 0 BFAARN OCCSc1ccccc1Br ZINC000002511061 183089775 /nfs/dbraw/zinc/08/97/75/183089775.db2.gz IQSSYWVFPQBQLS-UHFFFAOYSA-N 0 0 233.130 2.534 50 0 BFAARN OCCc1ccccc1OCc1ccc(F)cc1 ZINC000170616281 183100404 /nfs/dbraw/zinc/10/04/04/183100404.db2.gz NAVUUANEDPSNSF-UHFFFAOYSA-N 0 0 246.281 2.940 50 0 BFAARN CCCCc1nnc(NC(=O)C2CCC2)s1 ZINC000023362056 169029460 /nfs/dbraw/zinc/02/94/60/169029460.db2.gz ZFSUDIGSIDTEQG-UHFFFAOYSA-N 0 0 239.344 2.619 50 0 BFAARN CCCCn1c2ccccc2nc1[C@@H](C)O ZINC000013154516 169034709 /nfs/dbraw/zinc/03/47/09/169034709.db2.gz RBPXNOGQNHZOLH-SNVBAGLBSA-N 0 0 218.300 2.890 50 0 BFAARN CCCCn1c2ccccc2nc1[C@H](C)NC=O ZINC000004810116 169035199 /nfs/dbraw/zinc/03/51/99/169035199.db2.gz FNXGTBITEZHEFI-NSHDSACASA-N 0 0 245.326 2.643 50 0 BFAARN OCc1ccc(Cl)c(OC(F)(F)F)c1 ZINC000039712944 183165041 /nfs/dbraw/zinc/16/50/41/183165041.db2.gz AQFVCOVRKUVQTA-UHFFFAOYSA-N 0 0 226.581 2.731 50 0 BFAARN OCc1ccc(COc2ccccc2)cc1 ZINC000012370755 183165150 /nfs/dbraw/zinc/16/51/50/183165150.db2.gz MTQHORUPINPVTP-UHFFFAOYSA-N 0 0 214.264 2.758 50 0 BFAARN OCc1cc(/C=C/c2ccccc2)ccn1 ZINC000065528429 183159898 /nfs/dbraw/zinc/15/98/98/183159898.db2.gz QHRNPKHHORVSOL-VOTSOKGWSA-N 0 0 211.264 2.744 50 0 BFAARN OCc1cc(C(F)(F)F)c2cc(F)ccc2n1 ZINC000066322685 183160310 /nfs/dbraw/zinc/16/03/10/183160310.db2.gz GTOXFQDLERZVOY-UHFFFAOYSA-N 0 0 245.175 2.885 50 0 BFAARN OCc1c(Cl)cnc(Cl)c1Cl ZINC000032911404 183160330 /nfs/dbraw/zinc/16/03/30/183160330.db2.gz BLYGPJRHCYGHLG-UHFFFAOYSA-N 0 0 212.463 2.534 50 0 BFAARN OCc1cc(C(F)(F)F)nc2ccccc12 ZINC000071788837 183160650 /nfs/dbraw/zinc/16/06/50/183160650.db2.gz BUDRHPWUUSCWLP-UHFFFAOYSA-N 0 0 227.185 2.746 50 0 BFAARN OCc1c(F)ccc(Br)c1Cl ZINC000169795923 183160880 /nfs/dbraw/zinc/16/08/80/183160880.db2.gz PGKSLPNFKYEKDJ-UHFFFAOYSA-N 0 0 239.471 2.734 50 0 BFAARN OCc1cc2cc3c(cc2nc1Cl)CCC3 ZINC000072446978 183161209 /nfs/dbraw/zinc/16/12/09/183161209.db2.gz FWWFJRZQTHQGBF-UHFFFAOYSA-N 0 0 233.698 2.869 50 0 BFAARN CCCN(C(=O)[C@H]1CCCO1)c1cccc(C)c1 ZINC000009196913 169045931 /nfs/dbraw/zinc/04/59/31/169045931.db2.gz AFDQNCVYDXOMRC-CQSZACIVSA-N 0 0 247.338 2.917 50 0 BFAARN OCc1cccc(NC2Cc3ccccc3C2)c1 ZINC000037048722 183167104 /nfs/dbraw/zinc/16/71/04/183167104.db2.gz MBOADLZQKQDTDV-UHFFFAOYSA-N 0 0 239.318 2.758 50 0 BFAARN OCc1ccccc1Oc1ccccc1 ZINC000002146968 183168713 /nfs/dbraw/zinc/16/87/13/183168713.db2.gz VMZBMTWFHYYOIN-UHFFFAOYSA-N 0 0 200.237 2.971 50 0 BFAARN O[C@H]1CC[C@H](Nc2ncc(Cl)cc2F)CC1 ZINC000252710255 183202819 /nfs/dbraw/zinc/20/28/19/183202819.db2.gz GDOUYUZTARYKNQ-KYZUINATSA-N 0 0 244.697 2.590 50 0 BFAARN O[C@@H]1CCc2cc(Cl)c(Cl)cc21 ZINC000081991215 183207026 /nfs/dbraw/zinc/20/70/26/183207026.db2.gz BVMSVJNZBKHOLJ-SECBINFHSA-N 0 0 203.068 2.973 50 0 BFAARN O[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000004255867 183185656 /nfs/dbraw/zinc/18/56/56/183185656.db2.gz ILYUNJUNPZKDOD-ZDUSSCGKSA-N 0 0 202.228 2.907 50 0 BFAARN CCCN(C)C(=O)c1cccc2cnccc21 ZINC000064542146 169062384 /nfs/dbraw/zinc/06/23/84/169062384.db2.gz KBSRNOJKXZBGFZ-UHFFFAOYSA-N 0 0 228.295 2.717 50 0 BFAARN O[C@H](c1ccc(Br)cc1)C(F)F ZINC000034777529 183228930 /nfs/dbraw/zinc/22/89/30/183228930.db2.gz MACLWDXHRYFAPX-SSDOTTSWSA-N 0 0 237.043 2.748 50 0 BFAARN O[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000002513755 183229642 /nfs/dbraw/zinc/22/96/42/183229642.db2.gz MZQRXCOFRPWTPC-CYBMUJFWSA-N 0 0 202.228 2.907 50 0 BFAARN O[C@@H]1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@@H]1[C@@H]23 ZINC000045070836 183212211 /nfs/dbraw/zinc/21/22/11/183212211.db2.gz CFWGFWXYQMMSFE-IPQWEPCOSA-N 0 0 224.303 2.883 50 0 BFAARN O[C@H]1CCCOc2c(Br)cccc21 ZINC000062620982 183236046 /nfs/dbraw/zinc/23/60/46/183236046.db2.gz KNGPVHHOPCBJRP-VIFPVBQESA-N 0 0 243.100 2.655 50 0 BFAARN Oc1ccc(-n2ncc3ccccc32)cc1 ZINC000070675385 183266337 /nfs/dbraw/zinc/26/63/37/183266337.db2.gz RDPHYKAOPBRCKR-UHFFFAOYSA-N 0 0 210.236 2.731 50 0 BFAARN Oc1ccc(-c2ncc(Cl)cn2)cc1 ZINC000067817255 183266559 /nfs/dbraw/zinc/26/65/59/183266559.db2.gz DKCLSPSJCGWENT-UHFFFAOYSA-N 0 0 206.632 2.503 50 0 BFAARN Oc1ccc(CCc2cc(O)cc(O)c2)cc1 ZINC000000899123 183268980 /nfs/dbraw/zinc/26/89/80/183268980.db2.gz HITJFUSPLYBJPE-UHFFFAOYSA-N 0 0 230.263 2.589 50 0 biogenic,in-vivo BFAARN Oc1ccc(F)c(OC2CCCC2)c1F ZINC000261494452 183272769 /nfs/dbraw/zinc/27/27/69/183272769.db2.gz YBKSRXBQGSWBNI-UHFFFAOYSA-N 0 0 214.211 2.992 50 0 BFAARN Oc1cc(Br)ccc1-c1ccno1 ZINC000044672057 183256957 /nfs/dbraw/zinc/25/69/57/183256957.db2.gz YJGJGKRRLVASSN-UHFFFAOYSA-N 0 0 240.056 2.810 50 0 BFAARN Oc1cc(Cl)ccc1OC(F)(F)F ZINC000071867312 183258293 /nfs/dbraw/zinc/25/82/93/183258293.db2.gz GJVJHMOKPZBOMS-UHFFFAOYSA-N 0 0 212.554 2.944 50 0 BFAARN CCCN(CCC)C(=O)c1cccnc1Cl ZINC000000483249 169145584 /nfs/dbraw/zinc/14/55/84/169145584.db2.gz IYYZOHKXBDGPAI-UHFFFAOYSA-N 0 0 240.734 2.997 50 0 BFAARN O=c1cc2c(Br)cccc2c[nH]1 ZINC000082048392 183261228 /nfs/dbraw/zinc/26/12/28/183261228.db2.gz PEPBAJBUKPWIEN-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN O=c1cc2cc(Br)ccc2c[nH]1 ZINC000038537222 183262936 /nfs/dbraw/zinc/26/29/36/183262936.db2.gz MZXOHGOCNRWAPY-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Oc1cccc(C(=S)N2CCCCC2)c1 ZINC000000306143 183287896 /nfs/dbraw/zinc/28/78/96/183287896.db2.gz OCLDLRSSRNPRIZ-UHFFFAOYSA-N 0 0 221.325 2.554 50 0 BFAARN Oc1cccc(CNc2ccc(F)cn2)c1 ZINC000083349235 183291682 /nfs/dbraw/zinc/29/16/82/183291682.db2.gz HBGFPXUAOUMQAY-UHFFFAOYSA-N 0 0 218.231 2.538 50 0 BFAARN Oc1cccc(N2Cc3ccccc3C2)c1 ZINC000000056346 183293260 /nfs/dbraw/zinc/29/32/60/183293260.db2.gz NDJBHFYAKXHUEI-UHFFFAOYSA-N 0 0 211.264 2.912 50 0 BFAARN Oc1cccc2sc(Br)nc21 ZINC000075842544 183298054 /nfs/dbraw/zinc/29/80/54/183298054.db2.gz OVTAINLQDIHKSW-UHFFFAOYSA-N 0 0 230.086 2.764 50 0 BFAARN Oc1cccc2cc(Br)cnc12 ZINC000001856924 183298240 /nfs/dbraw/zinc/29/82/40/183298240.db2.gz VYGIVXTVBNTOLP-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN S=c1[nH]nc(-c2ccco2)n1C1CC1 ZINC000013729064 183314752 /nfs/dbraw/zinc/31/47/52/183314752.db2.gz IYJOSWSCBSTSPY-UHFFFAOYSA-N 0 0 207.258 2.536 50 0 BFAARN CCCN1C(=O)C(C)=C(C)[C@H]1SCC ZINC000023477839 169183934 /nfs/dbraw/zinc/18/39/34/169183934.db2.gz SIVFYBWSSQDPAH-LLVKDONJSA-N 0 0 213.346 2.654 50 0 BFAARN c1cc(-c2ccnc(N3CCCC3)n2)cs1 ZINC000067320848 183329398 /nfs/dbraw/zinc/32/93/98/183329398.db2.gz AATXZVUBYBZZBI-UHFFFAOYSA-N 0 0 231.324 2.805 50 0 BFAARN c1cc(-c2cnc(-c3ccncc3)s2)n[nH]1 ZINC000001396201 183332035 /nfs/dbraw/zinc/33/20/35/183332035.db2.gz UIBACKAHNXCNFW-UHFFFAOYSA-N 0 0 228.280 2.595 50 0 BFAARN S=C(NCc1ccccc1)c1ccccn1 ZINC000000103331 183310984 /nfs/dbraw/zinc/31/09/84/183310984.db2.gz XNNIQLMSLLNHOU-UHFFFAOYSA-N 0 0 228.320 2.547 50 0 BFAARN CCCN(Cc1ccsc1)C(=O)OC ZINC000044447045 169179075 /nfs/dbraw/zinc/17/90/75/169179075.db2.gz RKKGHFOYESIBJG-UHFFFAOYSA-N 0 0 213.302 2.727 50 0 BFAARN CCCNC(=O)COc1ccccc1C(C)C ZINC000065365452 169231749 /nfs/dbraw/zinc/23/17/49/169231749.db2.gz PIFHNWVRZCHQBJ-UHFFFAOYSA-N 0 0 235.327 2.715 50 0 BFAARN CCCNC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000044866074 169233265 /nfs/dbraw/zinc/23/32/65/169233265.db2.gz HPUMHAQTVSJOCM-UHFFFAOYSA-N 0 0 245.244 2.774 50 0 BFAARN CCCNC(=S)Nc1cccc(C)c1C ZINC000002784049 169255038 /nfs/dbraw/zinc/25/50/38/169255038.db2.gz YPVIXGMKUIKTSQ-UHFFFAOYSA-N 0 0 222.357 3.000 50 0 BFAARN CCCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000015837781 169234358 /nfs/dbraw/zinc/23/43/58/169234358.db2.gz VLTWFFAPLRIRPD-SNVBAGLBSA-N 0 0 222.288 2.536 50 0 BFAARN CCCNC(=O)N1CCn2cccc2[C@H]1CCC ZINC000009528126 169235670 /nfs/dbraw/zinc/23/56/70/169235670.db2.gz LCNVRADAMADFSC-CYBMUJFWSA-N 0 0 249.358 2.765 50 0 BFAARN CCCNC(=O)Nc1ccc2c(c1)CCC2 ZINC000006731818 169240203 /nfs/dbraw/zinc/24/02/03/169240203.db2.gz AMACCFYHTOYZEV-UHFFFAOYSA-N 0 0 218.300 2.707 50 0 BFAARN CCCNC(=O)Oc1ccc(SC)cc1 ZINC000001732628 169241322 /nfs/dbraw/zinc/24/13/22/169241322.db2.gz BQURLPAGYVPTNG-UHFFFAOYSA-N 0 0 225.313 2.907 50 0 BFAARN CCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000008493235 169242511 /nfs/dbraw/zinc/24/25/11/169242511.db2.gz MIQQWQKFIINOIS-GFCCVEGCSA-N 0 0 235.327 2.597 50 0 BFAARN c1ccc(-c2nc(-c3ccncc3)no2)cc1 ZINC000000238181 183382306 /nfs/dbraw/zinc/38/23/06/183382306.db2.gz KVLYQZJFVKRLHI-UHFFFAOYSA-N 0 0 223.235 2.799 50 0 BFAARN c1coc(-c2ccnc(-c3ccccn3)n2)c1 ZINC000001399310 183383328 /nfs/dbraw/zinc/38/33/28/183383328.db2.gz OSXUISVSGSRUHX-UHFFFAOYSA-N 0 0 223.235 2.799 50 0 BFAARN c1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1 ZINC000003165163 183383941 /nfs/dbraw/zinc/38/39/41/183383941.db2.gz LRWMMTRDMNVTEE-UHFFFAOYSA-N 0 0 233.274 2.974 50 0 BFAARN c1ccc(-c2noc(-c3ccncc3)n2)cc1 ZINC000000304068 183384406 /nfs/dbraw/zinc/38/44/06/183384406.db2.gz LICZKOGIHNOERI-UHFFFAOYSA-N 0 0 223.235 2.799 50 0 BFAARN CCCNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC000004696067 169250934 /nfs/dbraw/zinc/25/09/34/169250934.db2.gz WKVBNOZHHUQWSY-UHFFFAOYSA-N 0 0 216.284 2.616 50 0 BFAARN CCCNC(=O)c1ccc(C)cc1Cl ZINC000002878401 169251388 /nfs/dbraw/zinc/25/13/88/169251388.db2.gz QCZOUDYEWYAGAS-UHFFFAOYSA-N 0 0 211.692 2.788 50 0 BFAARN CCCNC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000043567061 169251886 /nfs/dbraw/zinc/25/18/86/169251886.db2.gz STQKJCOFNCXGJY-UHFFFAOYSA-N 0 0 249.207 2.984 50 0 BFAARN c1ccc(NCc2nc(C3CC3)no2)cc1 ZINC000037396361 183417121 /nfs/dbraw/zinc/41/71/21/183417121.db2.gz POEQSEKSXWYMMC-UHFFFAOYSA-N 0 0 215.256 2.559 50 0 BFAARN CCCOC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000001807994 169300863 /nfs/dbraw/zinc/30/08/63/169300863.db2.gz UDVSFEIBKJZYHS-UHFFFAOYSA-N 0 0 249.310 2.848 50 0 BFAARN CCCOCCOc1ccc(Cl)cc1N ZINC000014629357 169310051 /nfs/dbraw/zinc/31/00/51/169310051.db2.gz WIUJEQAJHCQLEK-UHFFFAOYSA-N 0 0 229.707 2.728 50 0 BFAARN CCCOc1cc(-c2ccccc2)nc(N)n1 ZINC000036139567 169313604 /nfs/dbraw/zinc/31/36/04/169313604.db2.gz WXAFXHYCNVMTSY-UHFFFAOYSA-N 0 0 229.283 2.515 50 0 BFAARN CCCOc1cc(C(=O)OC)ccc1Cl ZINC000097756821 169314202 /nfs/dbraw/zinc/31/42/02/169314202.db2.gz YAEBYQUIQDUVGX-UHFFFAOYSA-N 0 0 228.675 2.915 50 0 BFAARN CCCOc1ccc(C(=O)c2ncco2)cc1 ZINC000085651157 169317102 /nfs/dbraw/zinc/31/71/02/169317102.db2.gz PQFJQNFEAWRNBV-UHFFFAOYSA-N 0 0 231.251 2.694 50 0 BFAARN CCCSc1n[nH]c(-c2ccccc2N)n1 ZINC000015524939 169341014 /nfs/dbraw/zinc/34/10/14/169341014.db2.gz KGJBVZYNFYIZIL-UHFFFAOYSA-N 0 0 234.328 2.556 50 0 BFAARN CCCSc1ccccc1C(=O)OC ZINC000097756802 169341103 /nfs/dbraw/zinc/34/11/03/169341103.db2.gz LAKMDXBJLMOBTQ-UHFFFAOYSA-N 0 0 210.298 2.975 50 0 BFAARN CCCOc1ccc(N)c2cccnc12 ZINC000019772630 169319318 /nfs/dbraw/zinc/31/93/18/169319318.db2.gz ILRXXRUMMFJXTH-UHFFFAOYSA-N 0 0 202.257 2.606 50 0 BFAARN CCCOc1ccc(NC(=O)CSC)cc1 ZINC000085261095 169319800 /nfs/dbraw/zinc/31/98/00/169319800.db2.gz MDMPTXZVEMKJHS-UHFFFAOYSA-N 0 0 239.340 2.777 50 0 BFAARN CCCOc1ccc2c(c1)CCCC2=O ZINC000044745886 169323539 /nfs/dbraw/zinc/32/35/39/169323539.db2.gz LRRITBCPLWHQMD-UHFFFAOYSA-N 0 0 204.269 2.994 50 0 BFAARN CCCOc1cccc(NC(=O)C2CC2)c1 ZINC000009780188 169325522 /nfs/dbraw/zinc/32/55/22/169325522.db2.gz JDUOFCRMKHSEJG-UHFFFAOYSA-N 0 0 219.284 2.824 50 0 BFAARN CCCOc1ncccc1Br ZINC000040456704 169328176 /nfs/dbraw/zinc/32/81/76/169328176.db2.gz VURGFTJAQHGGOM-UHFFFAOYSA-N 0 0 216.078 2.633 50 0 BFAARN CCC[C@@H](C)NC(=O)NC1CCCCC1 ZINC000000388932 169368161 /nfs/dbraw/zinc/36/81/61/169368161.db2.gz FJQRSEXWVWHZQL-SNVBAGLBSA-N 0 0 212.337 2.807 50 0 BFAARN c1sc(NCC2CCC2)nc1-c1cnccn1 ZINC000225455858 183477625 /nfs/dbraw/zinc/47/76/25/183477625.db2.gz FEBINCJYGAKWGB-UHFFFAOYSA-N 0 0 246.339 2.812 50 0 BFAARN CCC[C@@H](C)Sc1ncnc2[nH]cnc21 ZINC000079001422 169372315 /nfs/dbraw/zinc/37/23/15/169372315.db2.gz UIEUTOXWKHJJCB-SSDOTTSWSA-N 0 0 222.317 2.634 50 0 BFAARN CCC[C@H](C)C(=O)NCc1ccccc1F ZINC000032994780 169472501 /nfs/dbraw/zinc/47/25/01/169472501.db2.gz LKXKESQEOARLQM-JTQLQIEISA-N 0 0 223.291 2.878 50 0 BFAARN CCC[C@]1(CC)NC(=S)N(c2ccccc2)N1 ZINC000001245542 169555765 /nfs/dbraw/zinc/55/57/65/169555765.db2.gz SUEZLMVGAMLNQK-CYBMUJFWSA-N 0 0 249.383 2.792 50 0 BFAARN CCCc1cc(C(=O)N2CCC[C@@H](C)CC2)[nH]n1 ZINC000058423861 169563834 /nfs/dbraw/zinc/56/38/34/169563834.db2.gz LURFZKSMTYOUTN-LLVKDONJSA-N 0 0 249.358 2.624 50 0 BFAARN CCCc1cc(C(F)(F)F)cc(=O)[nH]1 ZINC000008729736 169565069 /nfs/dbraw/zinc/56/50/69/169565069.db2.gz KIPUZHQWADBGHG-UHFFFAOYSA-N 0 0 205.179 2.759 50 0 BFAARN CCCc1ccc(OCc2nnc(N)s2)cc1 ZINC000000184299 169572606 /nfs/dbraw/zinc/57/26/06/169572606.db2.gz WLQRDKXFGYHBBU-UHFFFAOYSA-N 0 0 249.339 2.652 50 0 BFAARN CCCc1nc(N2C[C@@H]3CC(C)=CC[C@@H]3C2)no1 ZINC000072168851 169591779 /nfs/dbraw/zinc/59/17/79/169591779.db2.gz SQDKYXMDOQNYAQ-NEPJUHHUSA-N 0 0 247.342 2.815 50 0 BFAARN CCCc1nc2ccc(C(=O)OCC)cc2o1 ZINC000095215832 169594210 /nfs/dbraw/zinc/59/42/10/169594210.db2.gz QDUIBQFUWWFOOT-UHFFFAOYSA-N 0 0 233.267 2.957 50 0 BFAARN CCCc1nnc(NC2CC=CC2)s1 ZINC000089960587 169598126 /nfs/dbraw/zinc/59/81/26/169598126.db2.gz QPPGHISOAVUHDW-UHFFFAOYSA-N 0 0 209.318 2.621 50 0 BFAARN CCCn1cc(NC(=O)C[C@H]2C=CCC2)cn1 ZINC000096431415 169620599 /nfs/dbraw/zinc/62/05/99/169620599.db2.gz GKBOIQVXWIKREO-NSHDSACASA-N 0 0 233.315 2.588 50 0 BFAARN CCN(C(=O)NC(C)C)c1ccc(OC)cc1 ZINC000095409250 169641825 /nfs/dbraw/zinc/64/18/25/169641825.db2.gz QMVYWHBJLCDTBK-UHFFFAOYSA-N 0 0 236.315 2.640 50 0 BFAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccccn1 ZINC000000035235 383819521 /nfs/dbraw/zinc/81/95/21/383819521.db2.gz BPJGFFDQQBQVCF-RMKNXTFCSA-N 0 0 242.253 2.873 50 0 BFAARN CC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000000035893 383820045 /nfs/dbraw/zinc/82/00/45/383820045.db2.gz XRQNZEZLCWALPB-UHFFFAOYSA-N 0 0 229.235 2.735 50 0 BFAARN O=Cc1coc2c(Cl)cc(Cl)cc2c1=O ZINC000000057739 383822206 /nfs/dbraw/zinc/82/22/06/383822206.db2.gz IHCCHRKNCOFDAJ-UHFFFAOYSA-N 0 0 243.045 2.912 50 0 BFAARN C[C@H](NC(N)=S)c1ccc(Cl)cc1Cl ZINC000034971884 383822508 /nfs/dbraw/zinc/82/25/08/383822508.db2.gz TZOJBQPAHVWAOP-YFKPBYRVSA-N 0 0 249.166 2.888 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc2cc[nH]c2n1 ZINC000066054463 383845686 /nfs/dbraw/zinc/84/56/86/383845686.db2.gz WRNKMGRTVONKFM-UHFFFAOYSA-N 0 0 233.271 2.910 50 0 BFAARN C[C@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000000241578 383845779 /nfs/dbraw/zinc/84/57/79/383845779.db2.gz OMMUQWMOPGBNGO-NSHDSACASA-N 0 0 226.279 2.573 50 0 BFAARN C/C(=C\c1ccc(F)cc1)C(=O)Nc1cn[nH]c1 ZINC000098056303 383847869 /nfs/dbraw/zinc/84/78/69/383847869.db2.gz PJNPKEWNHWMMEW-RMKNXTFCSA-N 0 0 245.257 2.591 50 0 BFAARN Cc1ccc(C(=O)NCc2ccccn2)cc1C ZINC000000288396 383849998 /nfs/dbraw/zinc/84/99/98/383849998.db2.gz XWRYLTKBSJPUNS-UHFFFAOYSA-N 0 0 240.306 2.628 50 0 BFAARN CC(=O)c1ccc2c(c1)c1c(n2C)C(=O)CCC1 ZINC000000281716 383850582 /nfs/dbraw/zinc/85/05/82/383850582.db2.gz RDCZHHUQSLWQMN-UHFFFAOYSA-N 0 0 241.290 2.900 50 0 BFAARN CCO[C@@]12CCCC[C@@H]1C(=O)N2c1ccccc1 ZINC000000333305 383854260 /nfs/dbraw/zinc/85/42/60/383854260.db2.gz WMQKYGLGFAQUCD-HIFRSBDPSA-N 0 0 245.322 2.956 50 0 BFAARN O=C(CC1CCCCC1)Nc1ccccn1 ZINC000000317057 383854471 /nfs/dbraw/zinc/85/44/71/383854471.db2.gz JAVYWOOOWWVYMS-UHFFFAOYSA-N 0 0 218.300 2.991 50 0 BFAARN Cc1ccnc(Sc2ncccc2O)c1 ZINC000000335066 383856277 /nfs/dbraw/zinc/85/62/77/383856277.db2.gz BMYCAYOVNPTJBQ-UHFFFAOYSA-N 0 0 218.281 2.642 50 0 BFAARN CC[C@@H](C)c1ccccc1NS(C)(=O)=O ZINC000000383666 383861228 /nfs/dbraw/zinc/86/12/28/383861228.db2.gz QGYZSPMMHZGTTM-SECBINFHSA-N 0 0 227.329 2.572 50 0 BFAARN Cc1ccc(C(=O)NCc2ccco2)c(C)c1 ZINC000000806924 383880519 /nfs/dbraw/zinc/88/05/19/383880519.db2.gz OZULURZXTBOIPR-UHFFFAOYSA-N 0 0 229.279 2.826 50 0 BFAARN Cc1cc(C)c(N)c(Br)c1C ZINC000000402240 383864238 /nfs/dbraw/zinc/86/42/38/383864238.db2.gz UMIDFBDPMOPWDY-UHFFFAOYSA-N 0 0 214.106 2.957 50 0 BFAARN CCc1ccc(NC(C)=O)cc1Br ZINC000000398783 383864737 /nfs/dbraw/zinc/86/47/37/383864737.db2.gz QCLXGQPIAGZMQN-UHFFFAOYSA-N 0 0 242.116 2.970 50 0 BFAARN Cc1cccc(NC(=O)c2ccccc2F)n1 ZINC000000408641 383866062 /nfs/dbraw/zinc/86/60/62/383866062.db2.gz XPHOBPCUQFWFEF-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN Cc1oc(C(N)=O)cc1COc1ccc(C)cc1 ZINC000000446456 383868805 /nfs/dbraw/zinc/86/88/05/383868805.db2.gz GANVHLWAZHUTEU-UHFFFAOYSA-N 0 0 245.278 2.574 50 0 BFAARN O=Cc1ccccc1OC(=O)/C=C/c1ccco1 ZINC000000463005 383869098 /nfs/dbraw/zinc/86/90/98/383869098.db2.gz PLRFGVLSHNUHHJ-BQYQJAHWSA-N 0 0 242.230 2.711 50 0 BFAARN CCCCc1nc(-c2ccc(N)cc2)no1 ZINC000035696877 383870251 /nfs/dbraw/zinc/87/02/51/383870251.db2.gz RKRGCIOQJUMXNY-UHFFFAOYSA-N 0 0 217.272 2.661 50 0 BFAARN Cc1cc(C)cc(C(=O)NCc2cccnc2)c1 ZINC000000512870 383873168 /nfs/dbraw/zinc/87/31/68/383873168.db2.gz KGGOBVPLAQWHHP-UHFFFAOYSA-N 0 0 240.306 2.628 50 0 BFAARN Cc1ccc(C(=O)NC2CCCC2)c(C)c1 ZINC000000514570 383873206 /nfs/dbraw/zinc/87/32/06/383873206.db2.gz KICURTYXMAYHES-UHFFFAOYSA-N 0 0 217.312 2.976 50 0 BFAARN FC(F)(F)c1ccccc1N1CN=NC1=S ZINC000000127821 383829710 /nfs/dbraw/zinc/82/97/10/383829710.db2.gz WIDPGOMVFKGRCT-UHFFFAOYSA-N 0 0 245.229 2.575 50 0 BFAARN O=C(Nc1nccs1)Oc1ccccc1 ZINC000000134806 383832946 /nfs/dbraw/zinc/83/29/46/383832946.db2.gz CXVVRXLSXHPYDR-UHFFFAOYSA-N 0 0 220.253 2.754 50 0 BFAARN CC(C)=CC(=O)Nc1nc(C)c(C(C)=O)s1 ZINC000000148989 383832964 /nfs/dbraw/zinc/83/29/64/383832964.db2.gz CETPNMCFHWLATP-UHFFFAOYSA-N 0 0 238.312 2.559 50 0 BFAARN CCC(CC)[C@H](O)C[C@@H](O)CC(C)C ZINC000001655720 383917107 /nfs/dbraw/zinc/91/71/07/383917107.db2.gz MPURTQWGOYOLEZ-NWDGAFQWSA-N 0 0 202.338 2.581 50 0 BFAARN CCC(CC)[C@H](O)C[C@H](O)CC(C)C ZINC000001655718 383917462 /nfs/dbraw/zinc/91/74/62/383917462.db2.gz MPURTQWGOYOLEZ-VXGBXAGGSA-N 0 0 202.338 2.581 50 0 BFAARN c1ccc(COCCc2ccccn2)cc1 ZINC000001666107 383918659 /nfs/dbraw/zinc/91/86/59/383918659.db2.gz JUKWUVUJUABESO-UHFFFAOYSA-N 0 0 213.280 2.841 50 0 BFAARN CC(C)CCNC(=O)Oc1ccccc1 ZINC000001042029 383885389 /nfs/dbraw/zinc/88/53/89/383885389.db2.gz BGXMTMRSWLLBMK-UHFFFAOYSA-N 0 0 207.273 2.821 50 0 BFAARN Cc1ccc(Oc2cc(Cl)nc(N)n2)cc1 ZINC000000194205 383891355 /nfs/dbraw/zinc/89/13/55/383891355.db2.gz RJYGRPLECYSURD-UHFFFAOYSA-N 0 0 235.674 2.813 50 0 BFAARN COC(=O)c1ccccc1-c1ccccc1CO ZINC000001257261 383891672 /nfs/dbraw/zinc/89/16/72/383891672.db2.gz LLTZIPYKNWKAFJ-UHFFFAOYSA-N 0 0 242.274 2.633 50 0 BFAARN O=C(NC1CCCC1)NC1CCC(F)(F)CC1 ZINC000334442009 383895284 /nfs/dbraw/zinc/89/52/84/383895284.db2.gz CBFDAEXNCGPVMI-UHFFFAOYSA-N 0 0 246.301 2.806 50 0 BFAARN FC(F)(F)c1cnc(-n2cccn2)c(Cl)c1 ZINC000001391409 383896328 /nfs/dbraw/zinc/89/63/28/383896328.db2.gz XNEXBWDTYFOAHE-UHFFFAOYSA-N 0 0 247.607 2.940 50 0 BFAARN O=Cc1cccn1-c1nc2ccccc2s1 ZINC000001527312 383902778 /nfs/dbraw/zinc/90/27/78/383902778.db2.gz JCPITNDUNCSNNZ-UHFFFAOYSA-N 0 0 228.276 2.900 50 0 BFAARN Cc1[nH]nc2c1cccc2Br ZINC000036533422 383904157 /nfs/dbraw/zinc/90/41/57/383904157.db2.gz WCDHQZBKTKFKRJ-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1nnc(Cl)c2c1cnn2-c1ccccc1 ZINC000036657707 383904501 /nfs/dbraw/zinc/90/45/01/383904501.db2.gz RRUMUCVWQIBJNG-UHFFFAOYSA-N 0 0 244.685 2.777 50 0 BFAARN O=C1Nc2ccccc2Nc2ccccc21 ZINC000003126818 383999336 /nfs/dbraw/zinc/99/93/36/383999336.db2.gz KVVFXAAMMFTLGN-UHFFFAOYSA-N 0 0 210.236 2.996 50 0 BFAARN CCOc1ncccc1-c1cnc(Cl)cn1 ZINC000067821091 383948645 /nfs/dbraw/zinc/94/86/45/383948645.db2.gz DNIXXBXWDMDQLU-UHFFFAOYSA-N 0 0 235.674 2.591 50 0 BFAARN CCCC[C@H](CC)C(=O)NCc1ccccn1 ZINC000002064684 383949672 /nfs/dbraw/zinc/94/96/72/383949672.db2.gz GRVLXKVQWBUDNK-LBPRGKRZSA-N 0 0 234.343 2.914 50 0 BFAARN Cc1cc(C(F)(F)F)cc(-c2cc[nH]n2)n1 ZINC000067846918 383953636 /nfs/dbraw/zinc/95/36/36/383953636.db2.gz RKBVVZIQNIOVHY-UHFFFAOYSA-N 0 0 227.189 2.799 50 0 BFAARN O=C1OCCN1c1ccc(Cl)c(Cl)c1 ZINC000002171552 383954504 /nfs/dbraw/zinc/95/45/04/383954504.db2.gz PKBAGPKKXQCCBT-UHFFFAOYSA-N 0 0 232.066 2.950 50 0 BFAARN CCc1ccccc1I ZINC000002168468 383954829 /nfs/dbraw/zinc/95/48/29/383954829.db2.gz ZEJZDNMOGNUIHL-UHFFFAOYSA-N 0 0 232.064 2.854 50 0 BFAARN CCOC(=O)CCCCCC(=O)C1CCC1 ZINC000002243658 383955608 /nfs/dbraw/zinc/95/56/08/383955608.db2.gz DXCVSESBBZWHRH-UHFFFAOYSA-N 0 0 226.316 2.869 50 0 BFAARN CCCCNC(=O)/C=C\c1cccs1 ZINC000033348154 383960247 /nfs/dbraw/zinc/96/02/47/383960247.db2.gz FWQLZCXKTDCPQU-SREVYHEPSA-N 0 0 209.314 2.678 50 0 BFAARN O=Cc1cncc(-c2ccc(F)cc2)c1 ZINC000002389368 383961335 /nfs/dbraw/zinc/96/13/35/383961335.db2.gz LGBCBWOHFSIXOW-UHFFFAOYSA-N 0 0 201.200 2.700 50 0 BFAARN CCN(CC)c1ncnc2c3ccccc3[nH]c21 ZINC000002479495 383967460 /nfs/dbraw/zinc/96/74/60/383967460.db2.gz NVZPHFBZVKNOBI-UHFFFAOYSA-N 0 0 240.310 2.957 50 0 BFAARN O=Cc1ccc(OCC(=O)c2ccccc2)cc1 ZINC000002513457 383969190 /nfs/dbraw/zinc/96/91/90/383969190.db2.gz DUFOKNRIMNOESJ-UHFFFAOYSA-N 0 0 240.258 2.761 50 0 BFAARN CC(=O)N1[C@H](c2ccc[nH]2)CC[C@H]1c1ccc[nH]1 ZINC000002519578 383970025 /nfs/dbraw/zinc/97/00/25/383970025.db2.gz FGFKZEQIPHTPSE-KBPBESRZSA-N 0 0 243.310 2.768 50 0 BFAARN COC(=O)c1cc2c([nH]1)c(C)ccc2C ZINC000002534076 383970864 /nfs/dbraw/zinc/97/08/64/383970864.db2.gz YZQUXXYSYNUUGT-UHFFFAOYSA-N 0 0 203.241 2.571 50 0 BFAARN Cc1cc(C)c(-c2nnc(N)s2)c(C)c1 ZINC000003716268 384026634 /nfs/dbraw/zinc/02/66/34/384026634.db2.gz VBYVGLHVGUXMDD-UHFFFAOYSA-N 0 0 219.313 2.713 50 0 BFAARN Cc1noc(C)c1C(=O)Nc1cccc(F)c1 ZINC000003533492 384017875 /nfs/dbraw/zinc/01/78/75/384017875.db2.gz VVKPRFWPVBZSPK-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN C[C@@H](NC(=O)c1ccco1)c1ccccc1 ZINC000000299310 384017886 /nfs/dbraw/zinc/01/78/86/384017886.db2.gz IAADLDQTAJKRLP-SNVBAGLBSA-N 0 0 215.252 2.771 50 0 BFAARN O=[S@@]1c2ccccc2Nc2ccc(O)cc21 ZINC000071777896 384003891 /nfs/dbraw/zinc/00/38/91/384003891.db2.gz NKNOZWHLHDFNKU-INIZCTEOSA-N 0 0 231.276 2.616 50 0 BFAARN C[C@@H](CC(=O)N1CCCC1)c1cccc(F)c1 ZINC000089894510 384007392 /nfs/dbraw/zinc/00/73/92/384007392.db2.gz AZVBDKWJPVQAAQ-NSHDSACASA-N 0 0 235.302 2.942 50 0 BFAARN O=Cc1cc(-c2cccc(Cl)c2)on1 ZINC000068675319 384008253 /nfs/dbraw/zinc/00/82/53/384008253.db2.gz NSWNZWLJORKXMD-UHFFFAOYSA-N 0 0 207.616 2.808 50 0 BFAARN O=C(c1ccc(Br)cc1)C(F)F ZINC000090557349 384015110 /nfs/dbraw/zinc/01/51/10/384015110.db2.gz AULWQWKDUPKRJT-UHFFFAOYSA-N 0 0 235.027 2.897 50 0 BFAARN Cc1nc(-c2cccnc2)nc(Cl)c1C ZINC000037947829 384046879 /nfs/dbraw/zinc/04/68/79/384046879.db2.gz VGIFXNGFSYWPKS-UHFFFAOYSA-N 0 0 219.675 2.809 50 0 BFAARN O=Cc1cc(F)c(F)c(Br)c1 ZINC000090411254 384046953 /nfs/dbraw/zinc/04/69/53/384046953.db2.gz VQSVSYGPVVEMIN-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN Cc1nc(-c2ccccn2)nc(Cl)c1C ZINC000037947835 384047094 /nfs/dbraw/zinc/04/70/94/384047094.db2.gz BDZNLKLHMMORIZ-UHFFFAOYSA-N 0 0 219.675 2.809 50 0 BFAARN CNc1ccccc1C(=O)NC1CCCCC1 ZINC000004306902 384053812 /nfs/dbraw/zinc/05/38/12/384053812.db2.gz GCAHJISFCQBDSB-UHFFFAOYSA-N 0 0 232.327 2.791 50 0 BFAARN CCN(CC)c1cccc(Br)n1 ZINC000038537204 384087006 /nfs/dbraw/zinc/08/70/06/384087006.db2.gz BACITTGULZNNGC-UHFFFAOYSA-N 0 0 229.121 2.690 50 0 BFAARN COC(=O)c1[nH]c2ccccc2c1-n1cccc1 ZINC000004343468 384056856 /nfs/dbraw/zinc/05/68/56/384056856.db2.gz KUCMXGNRHPZNOS-UHFFFAOYSA-N 0 0 240.262 2.745 50 0 BFAARN c1ccc(Cc2nc(-c3ccncc3)no2)cc1 ZINC000000323945 384057829 /nfs/dbraw/zinc/05/78/29/384057829.db2.gz MJCLWJJTZLPOSQ-UHFFFAOYSA-N 0 0 237.262 2.722 50 0 BFAARN C[C@@H]1Oc2ccccc2O[C@]1(O)c1ccccc1 ZINC000004566061 384070610 /nfs/dbraw/zinc/07/06/10/384070610.db2.gz OMVNOIPTRCIZJH-NHYWBVRUSA-N 0 0 242.274 2.692 50 0 BFAARN C[C@@H]1Cc2cc(-c3csc(N)n3)ccc2O1 ZINC000004973356 384090941 /nfs/dbraw/zinc/09/09/41/384090941.db2.gz WEPCMOGXKOWFIS-SSDOTTSWSA-N 0 0 232.308 2.716 50 0 BFAARN c1cn2cccc(OCc3ccccc3)c2n1 ZINC000005066626 384097543 /nfs/dbraw/zinc/09/75/43/384097543.db2.gz LDJVMJRATISVRW-UHFFFAOYSA-N 0 0 224.263 2.913 50 0 BFAARN CC/C=C/COC(=O)c1cnc(C)s1 ZINC000071803820 384101301 /nfs/dbraw/zinc/10/13/01/384101301.db2.gz GVFRHVWRNKLCAC-SNAWJCMRSA-N 0 0 211.286 2.575 50 0 BFAARN c1ccc2c(c1)oc1c2ncnc1N1CCCC1 ZINC000005159709 384102953 /nfs/dbraw/zinc/10/29/53/384102953.db2.gz LOBAIGZWWUGWPC-UHFFFAOYSA-N 0 0 239.278 2.976 50 0 BFAARN CCCCNC(=O)c1cc(Cl)ccc1OC ZINC000005465799 384116254 /nfs/dbraw/zinc/11/62/54/384116254.db2.gz LSUHBPKJSSTTBS-UHFFFAOYSA-N 0 0 241.718 2.879 50 0 BFAARN c1ccc(CSc2ccccn2)nc1 ZINC000005572584 384122045 /nfs/dbraw/zinc/12/20/45/384122045.db2.gz ZOTNHFUTCQDXPD-UHFFFAOYSA-N 0 0 202.282 2.769 50 0 BFAARN Cc1nc(SCc2ccc(F)cc2)n[nH]1 ZINC000005730075 384127172 /nfs/dbraw/zinc/12/71/72/384127172.db2.gz LTDOWKQPBKOUAR-UHFFFAOYSA-N 0 0 223.276 2.545 50 0 BFAARN C[C@@H]1c2cccn2CCN1C(=O)c1cccs1 ZINC000029379134 384151807 /nfs/dbraw/zinc/15/18/07/384151807.db2.gz HSINSZYROUQZPO-SNVBAGLBSA-N 0 0 246.335 2.767 50 0 BFAARN O=C([C@H]1CCCO1)N1CCC[C@]2(CC=CCC2)C1 ZINC000071907712 384153342 /nfs/dbraw/zinc/15/33/42/384153342.db2.gz NKBUXDBGEDFFBY-UKRRQHHQSA-N 0 0 249.354 2.514 50 0 BFAARN CC1N=NC(=S)N1c1ccc(F)c(Cl)c1 ZINC000006402014 384153870 /nfs/dbraw/zinc/15/38/70/384153870.db2.gz NYDLZQZXPXVRCB-UHFFFAOYSA-N 0 0 243.694 2.657 50 0 BFAARN FC(F)(F)c1c[nH]c2nc(=S)sc-2c1 ZINC000040456647 384155135 /nfs/dbraw/zinc/15/51/35/384155135.db2.gz FGPULQJCUIQMEF-UHFFFAOYSA-N 0 0 236.243 2.999 50 0 BFAARN Cc1cc(C(=O)Nc2ncc(C)s2)c(C)o1 ZINC000006969113 384172015 /nfs/dbraw/zinc/17/20/15/384172015.db2.gz FDHNSPOSIILSBR-UHFFFAOYSA-N 0 0 236.296 2.914 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc(F)cn1 ZINC000071676416 384172997 /nfs/dbraw/zinc/17/29/97/384172997.db2.gz QJKDSHHDJJUUNY-UHFFFAOYSA-N 0 0 212.224 2.568 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2ccc(O)cc21 ZINC000071625114 384173720 /nfs/dbraw/zinc/17/37/20/384173720.db2.gz SXNCTPYZLPTVSQ-UHFFFAOYSA-N 0 0 235.283 2.690 50 0 BFAARN O=Cc1c(F)cc(C(F)(F)F)cc1F ZINC000040571362 384158696 /nfs/dbraw/zinc/15/86/96/384158696.db2.gz SEBPODPGYAOCAN-UHFFFAOYSA-N 0 0 210.101 2.796 50 0 BFAARN Cc1ccc(CCOC(=O)c2cscn2)cc1 ZINC000071910316 384160579 /nfs/dbraw/zinc/16/05/79/384160579.db2.gz LSEHJNNKHWZYOM-UHFFFAOYSA-N 0 0 247.319 2.851 50 0 BFAARN COC[C@@H](C)Oc1ccc(N)cc1C(F)(F)F ZINC000006678029 384163482 /nfs/dbraw/zinc/16/34/82/384163482.db2.gz UPCZGVUZZIDAEX-SSDOTTSWSA-N 0 0 249.232 2.701 50 0 BFAARN C[C@@H](NC(=O)OC(C)(C)C)c1cccc(N)c1 ZINC000006732178 384164318 /nfs/dbraw/zinc/16/43/18/384164318.db2.gz QZEKBDHFLADZKW-SECBINFHSA-N 0 0 236.315 2.855 50 0 BFAARN CNc1nc(C)c(C(=O)c2ccccc2)s1 ZINC000000386787 384164439 /nfs/dbraw/zinc/16/44/39/384164439.db2.gz LLZHEJLOYPMDEM-UHFFFAOYSA-N 0 0 232.308 2.724 50 0 BFAARN CC[C@@H](NC(=O)c1cc(C)on1)c1ccccc1 ZINC000006741917 384166065 /nfs/dbraw/zinc/16/60/65/384166065.db2.gz NRFSXUKGQFYHDI-GFCCVEGCSA-N 0 0 244.294 2.864 50 0 BFAARN O=C(/C=C/c1ccco1)NCc1ccsc1 ZINC000042938191 384168541 /nfs/dbraw/zinc/16/85/41/384168541.db2.gz YZISWRQLGVQUAU-ONEGZZNKSA-N 0 0 233.292 2.671 50 0 BFAARN CCOc1cc(Cl)ccc1CNC(=O)CC ZINC000095434610 384169269 /nfs/dbraw/zinc/16/92/69/384169269.db2.gz XGHAGMMRMOKLNO-UHFFFAOYSA-N 0 0 241.718 2.765 50 0 BFAARN CCOc1ccc(O)cc1C(F)(F)F ZINC000071867340 384185064 /nfs/dbraw/zinc/18/50/64/384185064.db2.gz KTAPXNQLDCIIAO-UHFFFAOYSA-N 0 0 206.163 2.810 50 0 BFAARN CCCCNC(=O)Nc1ccc(F)cc1F ZINC000002763944 384185233 /nfs/dbraw/zinc/18/52/33/384185233.db2.gz MVYPMHXHUNNSFM-UHFFFAOYSA-N 0 0 228.242 2.886 50 0 BFAARN Cc1ncccc1CN(C)[C@@H](C)c1cccnc1 ZINC000097375276 384178601 /nfs/dbraw/zinc/17/86/01/384178601.db2.gz QMCWOFRSCFDGCE-ZDUSSCGKSA-N 0 0 241.338 2.978 50 0 BFAARN CC(C)N1CCC[C@H]1c1nccnc1Cl ZINC000072343848 384208208 /nfs/dbraw/zinc/20/82/08/384208208.db2.gz OCZCSYJTLTYBMT-VIFPVBQESA-N 0 0 225.723 2.675 50 0 BFAARN Cc1ccc(O[C@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000008494716 384204857 /nfs/dbraw/zinc/20/48/57/384204857.db2.gz PHDIBQTWGZHQGF-GFCCVEGCSA-N 0 0 249.354 2.985 50 0 BFAARN CCCCNC(=O)Nc1ccc(OC)cc1C ZINC000002765814 384187678 /nfs/dbraw/zinc/18/76/78/384187678.db2.gz DUJSBEABGVVRQC-UHFFFAOYSA-N 0 0 236.315 2.925 50 0 BFAARN COc1cc(F)ccc1N(C)Cc1ccccn1 ZINC000071915941 384192179 /nfs/dbraw/zinc/19/21/79/384192179.db2.gz DYLVIACYEMLLGW-UHFFFAOYSA-N 0 0 246.285 2.866 50 0 BFAARN Cc1noc(C)c1C(=O)NC1CCCCCC1 ZINC000008133506 384193009 /nfs/dbraw/zinc/19/30/09/384193009.db2.gz VCUSQBOLARBLBC-UHFFFAOYSA-N 0 0 236.315 2.744 50 0 BFAARN C[C@H](Nc1ccc2cc[nH]c2n1)c1ccncn1 ZINC000072165614 384197783 /nfs/dbraw/zinc/19/77/83/384197783.db2.gz PVMALLKLEGGDKU-VIFPVBQESA-N 0 0 239.282 2.526 50 0 BFAARN COc1ncccc1-n1ccnc1C(C)(C)C ZINC000072159088 384197979 /nfs/dbraw/zinc/19/79/79/384197979.db2.gz RAFDAIWFOZDLBN-UHFFFAOYSA-N 0 0 231.299 2.573 50 0 BFAARN Cc1ccc(F)c(C=O)c1Br ZINC000072191378 384198610 /nfs/dbraw/zinc/19/86/10/384198610.db2.gz HORDCPFFRDZLRG-UHFFFAOYSA-N 0 0 217.037 2.709 50 0 BFAARN O=C1CCc2cc(F)cc(Br)c21 ZINC000072202812 384200143 /nfs/dbraw/zinc/20/01/43/384200143.db2.gz QIXWPINRZMAUAE-UHFFFAOYSA-N 0 0 229.048 2.717 50 0 BFAARN COC(=O)c1c(C)n(C2CC2)c2ccc(O)cc21 ZINC000008390486 384200646 /nfs/dbraw/zinc/20/06/46/384200646.db2.gz FPLKUWNSSOMXKP-UHFFFAOYSA-N 0 0 245.278 2.777 50 0 BFAARN COC(=O)c1cccc(-c2ccc(C=O)cc2)c1 ZINC000008699304 384209901 /nfs/dbraw/zinc/20/99/01/384209901.db2.gz RSHKDQKNWSRIRC-UHFFFAOYSA-N 0 0 240.258 2.953 50 0 BFAARN CON[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000082128548 384216027 /nfs/dbraw/zinc/21/60/27/384216027.db2.gz CNDPWHDDYPVLAU-ZETCQYMHSA-N 0 0 219.206 2.917 50 0 BFAARN CC(C)(C(=O)N[C@@H]1CC=CCC1)C(F)F ZINC000336439532 384228143 /nfs/dbraw/zinc/22/81/43/384228143.db2.gz DSYYBPAFFZFYLB-MRVPVSSYSA-N 0 0 217.259 2.503 50 0 BFAARN COc1ccc2c(c1)[C@@H](C(=O)OC(C)C)CC2 ZINC000408514511 384268602 /nfs/dbraw/zinc/26/86/02/384268602.db2.gz HEOQNSHXUAHJNW-LBPRGKRZSA-N 0 0 234.295 2.677 50 0 BFAARN O=C(NCc1cc2sccc2s1)C(F)F ZINC000408514886 384270527 /nfs/dbraw/zinc/27/05/27/384270527.db2.gz HGDTYOCOSJYZHF-UHFFFAOYSA-N 0 0 247.291 2.844 50 0 BFAARN Cn1cc(-c2noc(C3CCCCCC3)n2)cn1 ZINC000074124697 384273705 /nfs/dbraw/zinc/27/37/05/384273705.db2.gz HJPBDUQVBNPKQU-UHFFFAOYSA-N 0 0 246.314 2.908 50 0 BFAARN CCCOc1cccc(COCc2ncc[nH]2)c1 ZINC000408519734 384275970 /nfs/dbraw/zinc/27/59/70/384275970.db2.gz WUTJGXYREOCGPH-UHFFFAOYSA-N 0 0 246.310 2.915 50 0 BFAARN FC(F)(F)c1cc(-c2nccs2)n[nH]1 ZINC000043463636 384276805 /nfs/dbraw/zinc/27/68/05/384276805.db2.gz KMBMBDWGHUKGSP-UHFFFAOYSA-N 0 0 219.191 2.552 50 0 BFAARN CC(=O)c1ccc(F)c(OC(F)(F)F)c1 ZINC000012359300 384313620 /nfs/dbraw/zinc/31/36/20/384313620.db2.gz ATZQRDFMSBKRCC-UHFFFAOYSA-N 0 0 222.137 2.927 50 0 BFAARN O=C1N[C@@H](c2ccccc2)CCC1(Cl)Cl ZINC000000343540 384313656 /nfs/dbraw/zinc/31/36/56/384313656.db2.gz VIOVAUGSESYAND-SECBINFHSA-N 0 0 244.121 2.812 50 0 BFAARN Cc1ccc(C)c(-c2csc(N)c2C(N)=O)c1 ZINC000012404912 384318198 /nfs/dbraw/zinc/31/81/98/384318198.db2.gz SAQXOCAFIBTNSH-UHFFFAOYSA-N 0 0 246.335 2.713 50 0 BFAARN CN(Cc1ccccc1N)C(=O)OC(C)(C)C ZINC000012480801 384321521 /nfs/dbraw/zinc/32/15/21/384321521.db2.gz XDVPWOBOBAYXPT-UHFFFAOYSA-N 0 0 236.315 2.636 50 0 BFAARN C[C@@H](NC(=O)Nc1ccccc1F)C1CC1 ZINC000012850998 384337121 /nfs/dbraw/zinc/33/71/21/384337121.db2.gz ANKQPGPYCYJOPQ-MRVPVSSYSA-N 0 0 222.263 2.746 50 0 BFAARN Cc1nc(-c2ccc(O)c(F)c2)cs1 ZINC000012879609 384341930 /nfs/dbraw/zinc/34/19/30/384341930.db2.gz NBDXQEHDLAFUAQ-UHFFFAOYSA-N 0 0 209.245 2.963 50 0 BFAARN Cc1ccc(C(=O)NCc2ccco2)s1 ZINC000013328592 384355671 /nfs/dbraw/zinc/35/56/71/384355671.db2.gz VBXIMSUKBZUANM-UHFFFAOYSA-N 0 0 221.281 2.580 50 0 BFAARN Cc1noc(C)c1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000013329521 384356173 /nfs/dbraw/zinc/35/61/73/384356173.db2.gz CXIPWBPNSSYTOB-KWQFWETISA-N 0 0 236.315 2.600 50 0 BFAARN CNc1ccccc1C(=O)OCC(C)C ZINC000013346770 384356262 /nfs/dbraw/zinc/35/62/62/384356262.db2.gz WKYZGTHZBSYUFI-UHFFFAOYSA-N 0 0 207.273 2.541 50 0 endogenous,in-man BFAARN Cc1noc(C)c1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000013329523 384356286 /nfs/dbraw/zinc/35/62/86/384356286.db2.gz CXIPWBPNSSYTOB-LDYMZIIASA-N 0 0 236.315 2.600 50 0 BFAARN Cc1cccc(-c2nc(-c3ccoc3)n[nH]2)c1N ZINC000097105552 384358210 /nfs/dbraw/zinc/35/82/10/384358210.db2.gz ZJQMPGWMGMNLEE-UHFFFAOYSA-N 0 0 240.266 2.622 50 0 BFAARN c1ccc2c3nc(C4CCC4)nn3cnc2c1 ZINC000097105514 384358347 /nfs/dbraw/zinc/35/83/47/384358347.db2.gz UQBQCLQIHVTJKD-UHFFFAOYSA-N 0 0 224.267 2.545 50 0 BFAARN CC(=O)n1cc(/C=C(\C)[N+](=O)[O-])c2ccccc21 ZINC000013400653 384358969 /nfs/dbraw/zinc/35/89/69/384358969.db2.gz UISGIULTTSNPKI-VQHVLOKHSA-N 0 0 244.250 2.939 50 0 BFAARN CC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000095401959 384374695 /nfs/dbraw/zinc/37/46/95/384374695.db2.gz USMVQQYAXDYDFX-TVQRCGJNSA-N 0 0 221.275 2.755 50 0 BFAARN CCC[C@@]1(CC)NC(=S)N(CCC(C)C)N1 ZINC000001241631 384367734 /nfs/dbraw/zinc/36/77/34/384367734.db2.gz ALHLILIAWJAVHP-LBPRGKRZSA-N 0 0 243.420 2.634 50 0 BFAARN Cc1ccc(CN(C)[C@H](C)c2cccnc2)nc1 ZINC000097113716 384370165 /nfs/dbraw/zinc/37/01/65/384370165.db2.gz LWAQGPOLFQCEEX-CYBMUJFWSA-N 0 0 241.338 2.978 50 0 BFAARN Cc1ccc(C(=O)c2cc(F)ccc2F)cn1 ZINC000045029093 384372740 /nfs/dbraw/zinc/37/27/40/384372740.db2.gz XFXGZDPYHPQTKX-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CCCCNC(=S)NCc1ccc(C)cc1 ZINC000013814164 384372840 /nfs/dbraw/zinc/37/28/40/384372840.db2.gz JGHYJPCZTXOEIF-UHFFFAOYSA-N 0 0 236.384 2.759 50 0 BFAARN CCOCCOc1ccc(C(F)(F)F)cc1N ZINC000014629444 384395948 /nfs/dbraw/zinc/39/59/48/384395948.db2.gz WHXFCXSDKSHNGS-UHFFFAOYSA-N 0 0 249.232 2.703 50 0 BFAARN FC(F)(F)c1cnc(Br)s1 ZINC000095775918 384396206 /nfs/dbraw/zinc/39/62/06/384396206.db2.gz UFZHUWFGWBQZTL-UHFFFAOYSA-N 0 0 232.024 2.924 50 0 BFAARN Nc1ncc(C(=O)c2ccccc2Cl)s1 ZINC000095929141 384410705 /nfs/dbraw/zinc/41/07/05/384410705.db2.gz WNBJUELAADNHAU-UHFFFAOYSA-N 0 0 238.699 2.610 50 0 BFAARN Cc1cc2n[nH]cc2c(Br)c1 ZINC000014984701 384412678 /nfs/dbraw/zinc/41/26/78/384412678.db2.gz WVLOLHQWIPXVBQ-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN COC(=O)c1cc2[nH]ccc2c(Cl)c1 ZINC000014984760 384412979 /nfs/dbraw/zinc/41/29/79/384412979.db2.gz JUXKOXNZVJDRIQ-UHFFFAOYSA-N 0 0 209.632 2.608 50 0 BFAARN CC(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000095973610 384418877 /nfs/dbraw/zinc/41/88/77/384418877.db2.gz QGZCYXCXOHYOPU-UHFFFAOYSA-N 0 0 236.271 2.631 50 0 BFAARN COC(=O)c1cc(F)c(C)c(Br)c1 ZINC000096029107 384421825 /nfs/dbraw/zinc/42/18/25/384421825.db2.gz MBOAEPYPUBWIRI-UHFFFAOYSA-N 0 0 247.063 2.683 50 0 BFAARN COC(=O)c1ccnc(-c2ccccc2C)c1 ZINC000095495505 384378237 /nfs/dbraw/zinc/37/82/37/384378237.db2.gz XAJQDKSVNJHCSK-UHFFFAOYSA-N 0 0 227.263 2.844 50 0 BFAARN Cc1ccc(Cl)cc1C(=O)Nc1cnccn1 ZINC000097146054 384382047 /nfs/dbraw/zinc/38/20/47/384382047.db2.gz NWUYEZHHTCHZPG-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)[O-])cc1C ZINC000237784745 384382540 /nfs/dbraw/zinc/38/25/40/384382540.db2.gz PRFIKCHAIMYRMI-ZDUSSCGKSA-N 0 0 233.311 2.525 50 0 BFAARN COC(=O)c1cccc(NC(=O)CC(C)(C)C)c1 ZINC000014076822 384384823 /nfs/dbraw/zinc/38/48/23/384384823.db2.gz NSVKKYRNKADULA-UHFFFAOYSA-N 0 0 249.310 2.848 50 0 BFAARN O=C(OCc1ccccc1)N1CC=C[C@@H](F)C1 ZINC000095644185 384387226 /nfs/dbraw/zinc/38/72/26/384387226.db2.gz WERNXLLMQDGBRF-GFCCVEGCSA-N 0 0 235.258 2.533 50 0 BFAARN FC(F)(F)c1c[nH]c2ncnc(Cl)c12 ZINC000095644208 384387690 /nfs/dbraw/zinc/38/76/90/384387690.db2.gz XTQGBMSLTHSCEX-UHFFFAOYSA-N 0 0 221.569 2.630 50 0 BFAARN O=C(OCc1ccccc1)N1CC=C[C@H](F)C1 ZINC000095644184 384388271 /nfs/dbraw/zinc/38/82/71/384388271.db2.gz WERNXLLMQDGBRF-LBPRGKRZSA-N 0 0 235.258 2.533 50 0 BFAARN CC(=O)c1cc(Cl)ncc1Br ZINC000095704945 384390258 /nfs/dbraw/zinc/39/02/58/384390258.db2.gz BQUJDHLISMYKQM-UHFFFAOYSA-N 0 0 234.480 2.700 50 0 BFAARN CCc1ccc(NC(=O)Nc2cnccn2)cc1 ZINC000015952151 384447568 /nfs/dbraw/zinc/44/75/68/384447568.db2.gz HHAQDKLZSYFFAZ-UHFFFAOYSA-N 0 0 242.282 2.683 50 0 BFAARN C[C@@H](NC(=O)[C@@H]1CC1(C)C)c1ccccc1 ZINC000000050113 384453741 /nfs/dbraw/zinc/45/37/41/384453741.db2.gz WXZNHQPOEMNFDV-PWSUYJOCSA-N 0 0 217.312 2.910 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)c2ccco2)o1 ZINC000023305522 384436656 /nfs/dbraw/zinc/43/66/56/384436656.db2.gz HANJPEGTTPTQKU-VIFPVBQESA-N 0 0 219.240 2.672 50 0 BFAARN CCc1ccc(-c2nc([C@H]3CCOC3)no2)cc1 ZINC000096147779 384438163 /nfs/dbraw/zinc/43/81/63/384438163.db2.gz DYRNRNNDOUQNNQ-LBPRGKRZSA-N 0 0 244.294 2.803 50 0 BFAARN COC(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000047202436 384443659 /nfs/dbraw/zinc/44/36/59/384443659.db2.gz DRGOQPBBHLQCFB-UHFFFAOYSA-N 0 0 218.174 2.800 50 0 BFAARN Cc1cc(C(=O)Nc2ccncc2)c(C)o1 ZINC000016604776 384461507 /nfs/dbraw/zinc/46/15/07/384461507.db2.gz LSWLYNGTJMNMRF-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 in-vitro BFAARN O=C([O-])CC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000238160775 384468635 /nfs/dbraw/zinc/46/86/35/384468635.db2.gz TVHQFCXFEQREKM-ZDUSSCGKSA-N 0 0 239.359 2.896 50 0 BFAARN NNCc1cc(Cl)cc(Cl)c1Cl ZINC000096663679 384471408 /nfs/dbraw/zinc/47/14/08/384471408.db2.gz UNRSBZVDTNMUTH-UHFFFAOYSA-N 0 0 225.506 2.610 50 0 BFAARN O=C1Nc2ccccc2N[C@H]1c1ccccc1 ZINC000019046378 384510725 /nfs/dbraw/zinc/51/07/25/384510725.db2.gz IURISRNFECQLRH-ZDUSSCGKSA-N 0 0 224.263 2.792 50 0 BFAARN FC(F)(F)C1=NCCNC(c2cccs2)=C1 ZINC000002168613 384517209 /nfs/dbraw/zinc/51/72/09/384517209.db2.gz QQUYWSPOCFAGBD-UHFFFAOYSA-N 0 0 246.257 2.696 50 0 BFAARN COCOc1ccc(F)c(Br)c1 ZINC000137052409 384518734 /nfs/dbraw/zinc/51/87/34/384518734.db2.gz SCDAOWGZTMCJLN-UHFFFAOYSA-N 0 0 235.052 2.571 50 0 BFAARN Cc1oncc1NC(=O)c1coc2ccccc12 ZINC000097032038 384527574 /nfs/dbraw/zinc/52/75/74/384527574.db2.gz VLVKCKGVENQSDM-UHFFFAOYSA-N 0 0 242.234 2.982 50 0 BFAARN Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000019874355 384550121 /nfs/dbraw/zinc/55/01/21/384550121.db2.gz DWSXZOOSYNFWAV-UHFFFAOYSA-N 0 0 217.253 2.534 50 0 BFAARN O=Cc1nn(Cc2ccccc2)c2ccccc12 ZINC000097756645 384554451 /nfs/dbraw/zinc/55/44/51/384554451.db2.gz QFBGYIRPJDSBJM-UHFFFAOYSA-N 0 0 236.274 2.897 50 0 BFAARN COC(=O)c1cc(N)cc(-c2ccccc2)c1 ZINC000097757370 384554500 /nfs/dbraw/zinc/55/45/00/384554500.db2.gz LIOJPNRGRZJABU-UHFFFAOYSA-N 0 0 227.263 2.722 50 0 BFAARN Nc1nc2ccc(OCc3ccccc3)cc2o1 ZINC000097757419 384554799 /nfs/dbraw/zinc/55/47/99/384554799.db2.gz GUNUIEUVOUBRAZ-UHFFFAOYSA-N 0 0 240.262 2.989 50 0 BFAARN COC(=O)Cc1cc(F)ccc1C(F)(F)F ZINC000097756820 384554946 /nfs/dbraw/zinc/55/49/46/384554946.db2.gz HANPOULBLUTOBK-UHFFFAOYSA-N 0 0 236.164 2.560 50 0 BFAARN FC(F)c1ccc(I)o1 ZINC000080441135 384557157 /nfs/dbraw/zinc/55/71/57/384557157.db2.gz IYCFNVDMAXUREA-UHFFFAOYSA-N 0 0 243.978 2.822 50 0 BFAARN Cn1c(Cl)nc2c1cccc2Br ZINC000080441580 384558850 /nfs/dbraw/zinc/55/88/50/384558850.db2.gz RAIXLQWLPQPVME-UHFFFAOYSA-N 0 0 245.507 2.989 50 0 BFAARN Cc1ccn2cc(-c3ccccc3)nc2n1 ZINC000019925121 384559496 /nfs/dbraw/zinc/55/94/96/384559496.db2.gz OYMDFEJWQCUYKP-UHFFFAOYSA-N 0 0 209.252 2.705 50 0 BFAARN C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000019787731 384538230 /nfs/dbraw/zinc/53/82/30/384538230.db2.gz SCEUSADETKMIQZ-LURJTMIESA-N 0 0 248.109 2.556 50 0 BFAARN CC(C)c1noc(CN(C)C[C@@H]2CC=CCC2)n1 ZINC000097637935 384538991 /nfs/dbraw/zinc/53/89/91/384538991.db2.gz FESSOCNSLJVUSR-GFCCVEGCSA-N 0 0 249.358 2.981 50 0 BFAARN O=Cc1nc(Cc2ccccc2)n2ccccc12 ZINC000020222639 384602541 /nfs/dbraw/zinc/60/25/41/384602541.db2.gz RWZCUFHLYCUUFM-UHFFFAOYSA-N 0 0 236.274 2.738 50 0 BFAARN CC(C)(C)C(=O)N1CCC[C@H]1c1cccnc1 ZINC000081561050 384621356 /nfs/dbraw/zinc/62/13/56/384621356.db2.gz PCKDUVFFSDAJTO-LBPRGKRZSA-N 0 0 232.327 2.791 50 0 BFAARN FC(F)(F)c1cccnc1NC[C@H]1CCCO1 ZINC000021034161 384645504 /nfs/dbraw/zinc/64/55/04/384645504.db2.gz WJJRPGSADQFLAJ-MRVPVSSYSA-N 0 0 246.232 2.691 50 0 BFAARN Cc1nnc([C@H](C)Oc2cccc(Cl)c2)[nH]1 ZINC000051018468 384653539 /nfs/dbraw/zinc/65/35/39/384653539.db2.gz VXRAPTHJLFWSEL-ZETCQYMHSA-N 0 0 237.690 2.907 50 0 BFAARN O=c1cc(NCc2ccco2)c2ccccc2o1 ZINC000101010574 384661495 /nfs/dbraw/zinc/66/14/95/384661495.db2.gz ZSPWZZSZBBJHHZ-UHFFFAOYSA-N 0 0 241.246 2.998 50 0 BFAARN Cc1ccc(C(=O)NC(C)C)c(Cl)c1 ZINC000000458422 384695969 /nfs/dbraw/zinc/69/59/69/384695969.db2.gz WLVVTALGNPEFOT-UHFFFAOYSA-N 0 0 211.692 2.787 50 0 BFAARN O=C(c1cccc(C(F)F)c1)N1CCCC1 ZINC000170915865 384703458 /nfs/dbraw/zinc/70/34/58/384703458.db2.gz BNOVYCDMHHNQMX-UHFFFAOYSA-N 0 0 225.238 2.860 50 0 BFAARN COC(=O)c1ccc2c(ccnc2Cl)c1 ZINC000082766592 384712416 /nfs/dbraw/zinc/71/24/16/384712416.db2.gz PKEQALCNHHWENP-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN CCOc1ccc(OCc2nnc(CC)o2)cc1 ZINC000078814867 384712795 /nfs/dbraw/zinc/71/27/95/384712795.db2.gz PDCPTXGEYFAJPU-UHFFFAOYSA-N 0 0 248.282 2.610 50 0 BFAARN CCOc1nc(Cl)nc2ccccc21 ZINC000052811306 384746148 /nfs/dbraw/zinc/74/61/48/384746148.db2.gz MSDJYCCFSJSQIB-UHFFFAOYSA-N 0 0 208.648 2.682 50 0 BFAARN Cc1ccc(NCC(=O)N2CCC[C@H](C)C2)cc1 ZINC000058374119 384749975 /nfs/dbraw/zinc/74/99/75/384749975.db2.gz IQKLZUHKBDFBHF-ZDUSSCGKSA-N 0 0 246.354 2.665 50 0 BFAARN Cc1noc(C)c1NC(=O)CCc1ccccc1 ZINC000084025528 384757092 /nfs/dbraw/zinc/75/70/92/384757092.db2.gz DIYMBPAMDUSNOV-UHFFFAOYSA-N 0 0 244.294 2.863 50 0 BFAARN Cc1c(N)onc1-c1cc(C)ccc1F ZINC000052984172 384759450 /nfs/dbraw/zinc/75/94/50/384759450.db2.gz KNAHGVURIWXUJW-UHFFFAOYSA-N 0 0 206.220 2.680 50 0 BFAARN COC[C@@H](C)Nc1cccc(SC)c1 ZINC000053171947 384767143 /nfs/dbraw/zinc/76/71/43/384767143.db2.gz XJTOFQGBLXBHDI-SECBINFHSA-N 0 0 211.330 2.855 50 0 BFAARN COC(C)(C)C(=O)Oc1cnc2ccccc2c1 ZINC000188132184 384817146 /nfs/dbraw/zinc/81/71/46/384817146.db2.gz FQJJCHGREQINIP-UHFFFAOYSA-N 0 0 245.278 2.565 50 0 BFAARN C(=C/c1ccncn1)\c1cnn(-c2ccccc2)c1 ZINC000157275899 384794127 /nfs/dbraw/zinc/79/41/27/384794127.db2.gz XFVZBJAPCQJYSJ-VOTSOKGWSA-N 0 0 248.289 2.833 50 0 BFAARN Clc1cnc(N[C@@H]2CC=CCC2)nc1 ZINC000093538252 384797162 /nfs/dbraw/zinc/79/71/62/384797162.db2.gz MLSYPSFDEYUWLK-SECBINFHSA-N 0 0 209.680 2.651 50 0 BFAARN Cc1nnc(NCC2CC2)c2ccccc12 ZINC000024203081 384815123 /nfs/dbraw/zinc/81/51/23/384815123.db2.gz CBDWOXDAPZGUPV-UHFFFAOYSA-N 0 0 213.284 2.760 50 0 BFAARN COCCn1c(-c2ccccc2)c[nH]c1=S ZINC000026424306 384873742 /nfs/dbraw/zinc/87/37/42/384873742.db2.gz CIWBQSOXOQEBPO-UHFFFAOYSA-N 0 0 234.324 2.859 50 0 BFAARN Cc1nc(C)c(-c2ccc(Cl)nn2)s1 ZINC000026420636 384873861 /nfs/dbraw/zinc/87/38/61/384873861.db2.gz AOEASRKROYFFDN-UHFFFAOYSA-N 0 0 225.704 2.870 50 0 BFAARN CSc1ccc(-c2nsc(N)n2)cc1 ZINC000026509294 384877987 /nfs/dbraw/zinc/87/79/87/384877987.db2.gz VGDLSMKOVNEJIA-UHFFFAOYSA-N 0 0 223.326 2.509 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)CCc2ccco2)C1 ZINC000032873685 384880993 /nfs/dbraw/zinc/88/09/93/384880993.db2.gz ACKOZZGUJBSBOI-TXEJJXNPSA-N 0 0 235.327 2.717 50 0 BFAARN Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC000054669267 384846425 /nfs/dbraw/zinc/84/64/25/384846425.db2.gz UEVINPKTSLZDPR-JTQLQIEISA-N 0 0 231.324 2.589 50 0 BFAARN CCOc1cc(C(=O)NC2CC2)cc2occc21 ZINC000072240127 384848899 /nfs/dbraw/zinc/84/88/99/384848899.db2.gz HMHYOWXGNSTBNA-UHFFFAOYSA-N 0 0 245.278 2.724 50 0 BFAARN Clc1nc2c(c(Cl)n1)CSC2 ZINC000084311998 384860412 /nfs/dbraw/zinc/86/04/12/384860412.db2.gz YSADLUWHNVZEJK-UHFFFAOYSA-N 0 0 207.085 2.530 50 0 BFAARN Fc1ccc2nnn(-c3ccccc3)c2c1 ZINC000085476361 384949870 /nfs/dbraw/zinc/94/98/70/384949870.db2.gz FYPNUIWSHHSDST-UHFFFAOYSA-N 0 0 213.215 2.560 50 0 BFAARN CCc1c(N)cnn1-c1cccc(Cl)c1 ZINC000085634385 384957170 /nfs/dbraw/zinc/95/71/70/384957170.db2.gz XPWZEFLUHZHEDZ-UHFFFAOYSA-N 0 0 221.691 2.670 50 0 BFAARN O=c1ccc(C(F)(F)F)cn1CC1CCC1 ZINC000095403397 384902279 /nfs/dbraw/zinc/90/22/79/384902279.db2.gz AQFHUONDXIWGGH-UHFFFAOYSA-N 0 0 231.217 2.667 50 0 BFAARN Cc1ccc(OC(=O)C2SCCS2)cc1 ZINC000095445109 384911949 /nfs/dbraw/zinc/91/19/49/384911949.db2.gz LFRIOTNEAKMZSG-UHFFFAOYSA-N 0 0 240.349 2.707 50 0 BFAARN C[C@@H](NC(=O)c1ccccc1)C(C)(C)C ZINC000012381117 384913940 /nfs/dbraw/zinc/91/39/40/384913940.db2.gz QRGINSCDKUDLSV-SNVBAGLBSA-N 0 0 205.301 2.851 50 0 BFAARN CCCn1nc(C)c(/C=C/c2ccncn2)c1C ZINC000157355543 384915468 /nfs/dbraw/zinc/91/54/68/384915468.db2.gz ACJOFJIYAQFWBD-AATRIKPKSA-N 0 0 242.326 2.870 50 0 BFAARN Cc1noc([C@@H](C)N2CCc3sccc3C2)n1 ZINC000027812868 384915565 /nfs/dbraw/zinc/91/55/65/384915565.db2.gz RVQMCQIGFZHMKE-MRVPVSSYSA-N 0 0 249.339 2.559 50 0 BFAARN COC(=O)c1ccc(-c2ccc(C)cc2)cn1 ZINC000085210086 384928125 /nfs/dbraw/zinc/92/81/25/384928125.db2.gz PWQQZUWCUOVQJO-UHFFFAOYSA-N 0 0 227.263 2.844 50 0 BFAARN Fc1ccc2nnn(C3CCCC3)c2c1 ZINC000085477259 384948180 /nfs/dbraw/zinc/94/81/80/384948180.db2.gz WBYLLWQKDZVUOV-UHFFFAOYSA-N 0 0 205.236 2.686 50 0 BFAARN CSc1ncc(C)cc1Br ZINC000086032256 384980580 /nfs/dbraw/zinc/98/05/80/384980580.db2.gz DNPQVOGPRPPDLC-UHFFFAOYSA-N 0 0 218.119 2.874 50 0 BFAARN CSc1ccc(Br)c(C)n1 ZINC000086032260 384981773 /nfs/dbraw/zinc/98/17/73/384981773.db2.gz NJEIWMNWCZETTA-UHFFFAOYSA-N 0 0 218.119 2.874 50 0 BFAARN Cc1cc(C(=O)N[C@@H](C)c2cccs2)no1 ZINC000043544757 384982811 /nfs/dbraw/zinc/98/28/11/384982811.db2.gz WNWAWOBUZHFYTR-QMMMGPOBSA-N 0 0 236.296 2.536 50 0 BFAARN CC(C)CCNc1nccc(C(F)(F)F)n1 ZINC000070225568 384989661 /nfs/dbraw/zinc/98/96/61/384989661.db2.gz CJKDFLYPBKKWQO-UHFFFAOYSA-N 0 0 233.237 2.953 50 0 BFAARN CC(C)CCC(=O)N[C@H](C)c1cccnc1 ZINC000058283490 384993140 /nfs/dbraw/zinc/99/31/40/384993140.db2.gz CTXCRXPQBBDJOZ-LLVKDONJSA-N 0 0 220.316 2.695 50 0 BFAARN CCN(C(=O)[C@H]1C[C@@H]1C)c1ccc(F)cc1 ZINC000058324177 384995754 /nfs/dbraw/zinc/99/57/54/384995754.db2.gz IVHZQQIIQOLEKG-CABZTGNLSA-N 0 0 221.275 2.835 50 0 BFAARN Cc1cccc2[nH]c(-c3ccncc3)nc21 ZINC000032668222 384999312 /nfs/dbraw/zinc/99/93/12/384999312.db2.gz VKEGMENAGTZULS-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN C/C=C/C=C\C(=O)Nc1ccc2c(c1)CCO2 ZINC000098054561 385015102 /nfs/dbraw/zinc/01/51/02/385015102.db2.gz ZLWRRSATIKYIFP-IAROGAJJSA-N 0 0 229.279 2.692 50 0 BFAARN CC(=O)c1ccc(-n2cccn2)c(Cl)c1 ZINC000059783004 385054024 /nfs/dbraw/zinc/05/40/24/385054024.db2.gz RRBPRVGMNKFFKN-UHFFFAOYSA-N 0 0 220.659 2.728 50 0 BFAARN CC(=O)Nc1ccc(F)c(Br)c1 ZINC000059972665 385061552 /nfs/dbraw/zinc/06/15/52/385061552.db2.gz OMWYNCIQAUQVNM-UHFFFAOYSA-N 0 0 232.052 2.547 50 0 BFAARN CCN(CC)c1ncc(Cl)cc1F ZINC000086711486 385040218 /nfs/dbraw/zinc/04/02/18/385040218.db2.gz GQCRFFNWAYRDFO-UHFFFAOYSA-N 0 0 202.660 2.720 50 0 BFAARN CCC(=O)c1cnc(Br)c(C)c1 ZINC000072221912 385110098 /nfs/dbraw/zinc/11/00/98/385110098.db2.gz PJWZHUFFASFNGZ-UHFFFAOYSA-N 0 0 228.089 2.745 50 0 BFAARN Cc1ccn(Cc2c[nH]c3ccccc23)n1 ZINC000003132780 385110366 /nfs/dbraw/zinc/11/03/66/385110366.db2.gz BPURKJVVRATFES-UHFFFAOYSA-N 0 0 211.268 2.721 50 0 BFAARN CN(Cc1ccco1)C(=O)[C@@H]1CC=CCC1 ZINC000032820574 385184077 /nfs/dbraw/zinc/18/40/77/385184077.db2.gz KXQIAIKSVJSWGG-LLVKDONJSA-N 0 0 219.284 2.594 50 0 BFAARN CC(=O)c1ccc(F)cc1OCC1CC1 ZINC000062747919 385186966 /nfs/dbraw/zinc/18/69/66/385186966.db2.gz GRGUTGHUVGFJOW-UHFFFAOYSA-N 0 0 208.232 2.817 50 0 BFAARN C[C@H](NC(=O)c1ccco1)c1ccccc1F ZINC000032983391 385195131 /nfs/dbraw/zinc/19/51/31/385195131.db2.gz LTBNMJBHXRHYED-VIFPVBQESA-N 0 0 233.242 2.910 50 0 BFAARN O=C(OCCCF)c1ccc(-c2cnco2)cc1 ZINC000096422151 385146579 /nfs/dbraw/zinc/14/65/79/385146579.db2.gz FSRCDLWOAFZXJP-UHFFFAOYSA-N 0 0 249.241 2.858 50 0 BFAARN CN(Cc1ccncc1)Cc1ccc(F)c(F)c1 ZINC000096424611 385163315 /nfs/dbraw/zinc/16/33/15/385163315.db2.gz ICFWQUDXOSYBQS-UHFFFAOYSA-N 0 0 248.276 2.992 50 0 BFAARN Cc1nc(COC(=O)C2CCC2)sc1C ZINC000096442738 385171171 /nfs/dbraw/zinc/17/11/71/385171171.db2.gz ACBCWTZWZMTPIX-UHFFFAOYSA-N 0 0 225.313 2.603 50 0 BFAARN CC(=O)c1cc(Br)cc(C)c1O ZINC000063061829 385208664 /nfs/dbraw/zinc/20/86/64/385208664.db2.gz FYCJGBWDWQDUPT-UHFFFAOYSA-N 0 0 229.073 2.666 50 0 BFAARN COC[C@H](C)SCc1ncccc1C ZINC000096494694 385233870 /nfs/dbraw/zinc/23/38/70/385233870.db2.gz AZNQRTURCRTFJO-JTQLQIEISA-N 0 0 211.330 2.658 50 0 BFAARN c1ccc(CSC[C@@H]2CCCOC2)nc1 ZINC000096494702 385235396 /nfs/dbraw/zinc/23/53/96/385235396.db2.gz GEOWLINXMWGXBK-LLVKDONJSA-N 0 0 223.341 2.741 50 0 BFAARN c1cncc(-c2n[nH]c(C3CCCCC3)n2)c1 ZINC000033435932 385235530 /nfs/dbraw/zinc/23/55/30/385235530.db2.gz CKSUQPRNBBIFGA-UHFFFAOYSA-N 0 0 228.299 2.914 50 0 BFAARN O=C1OCC[C@@H]1Sc1ccc2ccccc2n1 ZINC000005627335 385240173 /nfs/dbraw/zinc/24/01/73/385240173.db2.gz AIFDNMGBVJDLNZ-NSHDSACASA-N 0 0 245.303 2.642 50 0 BFAARN CC(=O)c1ccc2cccc(C(C)=O)c2n1 ZINC000064033791 385244242 /nfs/dbraw/zinc/24/42/42/385244242.db2.gz QSNJPRHTMFJPNE-UHFFFAOYSA-N 0 0 213.236 2.640 50 0 BFAARN Cc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1 ZINC000005636092 385246280 /nfs/dbraw/zinc/24/62/80/385246280.db2.gz JFWUTLKQFUMAID-GFCCVEGCSA-N 0 0 240.306 2.881 50 0 BFAARN O=Cc1ccnc(Cl)c1C(F)(F)F ZINC000095762003 385205785 /nfs/dbraw/zinc/20/57/85/385205785.db2.gz WEGGONOXDIMXRZ-UHFFFAOYSA-N 0 0 209.554 2.566 50 0 BFAARN Cc1nc(C(C)C)cc(N(C)Cc2ccon2)n1 ZINC000065380596 385302533 /nfs/dbraw/zinc/30/25/33/385302533.db2.gz KCXVSPKUUUSQFB-UHFFFAOYSA-N 0 0 246.314 2.533 50 0 BFAARN Cc1cc(-c2ccc3c(c2)CCO3)cnc1N ZINC000065404471 385306646 /nfs/dbraw/zinc/30/66/46/385306646.db2.gz GDUSCYFUCPYZRJ-UHFFFAOYSA-N 0 0 226.279 2.574 50 0 BFAARN CCCc1nccn1-c1cccc([C@H](C)O)c1 ZINC000065408742 385307293 /nfs/dbraw/zinc/30/72/93/385307293.db2.gz PZRTYRIZVARIIN-NSHDSACASA-N 0 0 230.311 2.878 50 0 BFAARN C[C@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000000142365 385260234 /nfs/dbraw/zinc/26/02/34/385260234.db2.gz PXAJVLWTDLKLRV-NSHDSACASA-N 0 0 226.279 2.573 50 0 BFAARN CCCCNC(=O)c1cc(C)cc(C)c1 ZINC000013329839 385270525 /nfs/dbraw/zinc/27/05/25/385270525.db2.gz SFBUGRSGACNSHS-UHFFFAOYSA-N 0 0 205.301 2.833 50 0 BFAARN CC(C)(C)OC(=O)n1cnc2ccccc21 ZINC000034305076 385276770 /nfs/dbraw/zinc/27/67/70/385276770.db2.gz CROWJIMGVQLMPG-UHFFFAOYSA-N 0 0 218.256 2.820 50 0 BFAARN c1cncc(-c2nnc(-c3cccnc3)s2)c1 ZINC000034567249 385285194 /nfs/dbraw/zinc/28/51/94/385285194.db2.gz VEESCDPNZLKYDS-UHFFFAOYSA-N 0 0 240.291 2.662 50 0 BFAARN COC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000034516633 385285943 /nfs/dbraw/zinc/28/59/43/385285943.db2.gz IRYBOHVMFKZODT-UHFFFAOYSA-N 0 0 222.137 2.631 50 0 BFAARN COCC1CCN(c2ccncc2Cl)CC1 ZINC000098018573 385358835 /nfs/dbraw/zinc/35/88/35/385358835.db2.gz GJINNMNQLUDLQL-UHFFFAOYSA-N 0 0 240.734 2.598 50 0 BFAARN Cc1cccc(-c2nc([C@@H]3CCOC3)no2)c1 ZINC000098019208 385359268 /nfs/dbraw/zinc/35/92/68/385359268.db2.gz RLXULDNFPYEKFN-LLVKDONJSA-N 0 0 230.267 2.549 50 0 BFAARN O=C(/C=C\c1ccncc1)NC1CCCCC1 ZINC000098054481 385391258 /nfs/dbraw/zinc/39/12/58/385391258.db2.gz AYXQPVVPMAMUBJ-SREVYHEPSA-N 0 0 230.311 2.544 50 0 BFAARN FC(F)(F)c1cccc(N2CCSC2)n1 ZINC000169725729 385418629 /nfs/dbraw/zinc/41/86/29/385418629.db2.gz KFIPPPVAAKFZBM-UHFFFAOYSA-N 0 0 234.246 2.611 50 0 BFAARN FC(F)(F)c1cccc(N2CC(F)(F)C2)n1 ZINC000169725727 385419083 /nfs/dbraw/zinc/41/90/83/385419083.db2.gz DLUZNNFHKDBFIC-UHFFFAOYSA-N 0 0 238.159 2.556 50 0 BFAARN FC(F)(F)c1ccc(N2CCSC2)nc1 ZINC000169725720 385419244 /nfs/dbraw/zinc/41/92/44/385419244.db2.gz VJMWGWSBMYEMQU-UHFFFAOYSA-N 0 0 234.246 2.611 50 0 BFAARN Cc1cnc2ccc(Br)c(C)n12 ZINC000170685422 385439334 /nfs/dbraw/zinc/43/93/34/385439334.db2.gz RRFZTCIUFBZFEE-UHFFFAOYSA-N 0 0 225.089 2.714 50 0 BFAARN Clc1cc2[nH]cnc2c(Br)c1 ZINC000170591036 385432233 /nfs/dbraw/zinc/43/22/33/385432233.db2.gz RHDGVHIUGAGINX-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN COc1ccc(OCc2ccccn2)cc1F ZINC000120203282 385566279 /nfs/dbraw/zinc/56/62/79/385566279.db2.gz XJSOHEHOHVPJAX-UHFFFAOYSA-N 0 0 233.242 2.808 50 0 BFAARN CN(C)Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC000005753393 385643843 /nfs/dbraw/zinc/64/38/43/385643843.db2.gz YMRUDSVLIVANEV-UHFFFAOYSA-N 0 0 249.745 2.802 50 0 BFAARN COc1cc(NC(=O)C2(C)CCCC2)ccc1O ZINC000281840305 385706590 /nfs/dbraw/zinc/70/65/90/385706590.db2.gz QTMRNQLNZVUPOY-UHFFFAOYSA-N 0 0 249.310 2.920 50 0 BFAARN CC(=O)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000041368209 385748091 /nfs/dbraw/zinc/74/80/91/385748091.db2.gz OPVKMMAMWJBNOI-UHFFFAOYSA-N 0 0 244.269 2.774 50 0 BFAARN CSc1ccc(NC(C)(C)CCO)cc1 ZINC000257373209 385766937 /nfs/dbraw/zinc/76/69/37/385766937.db2.gz QRZVOHVCPBGPCX-UHFFFAOYSA-N 0 0 225.357 2.981 50 0 BFAARN Nc1ccc(C(F)(F)F)c(OC(F)F)c1 ZINC000258828085 385779278 /nfs/dbraw/zinc/77/92/78/385779278.db2.gz DZUJSOLVDDHTLW-UHFFFAOYSA-N 0 0 227.132 2.889 50 0 BFAARN CC[C@@H](NC(=O)c1cccs1)c1nc(C)c[nH]1 ZINC000215607024 385847238 /nfs/dbraw/zinc/84/72/38/385847238.db2.gz AHEGZYYSYXQDQQ-SECBINFHSA-N 0 0 249.339 2.661 50 0 BFAARN Cc1cc(C(=O)N(C)[C@H](C)c2ccon2)c(C)o1 ZINC000215647695 385847465 /nfs/dbraw/zinc/84/74/65/385847465.db2.gz VSHOPZVBYDYNMR-SECBINFHSA-N 0 0 248.282 2.718 50 0 BFAARN CN(Cc1cc[nH]n1)Cc1cccc2[nH]ccc21 ZINC000215683597 385849045 /nfs/dbraw/zinc/84/90/45/385849045.db2.gz DEXALBJUMTZQLF-UHFFFAOYSA-N 0 0 240.310 2.523 50 0 BFAARN O=C(c1ccc(O)c(F)c1)N1CCCCC12CC2 ZINC000218938757 385913845 /nfs/dbraw/zinc/91/38/45/385913845.db2.gz CSLWYHGPMJRIDD-UHFFFAOYSA-N 0 0 249.285 2.690 50 0 BFAARN Clc1cnc(N2C[C@@H]3CCCC[C@H]3C2)nc1 ZINC000095408686 385861183 /nfs/dbraw/zinc/86/11/83/385861183.db2.gz SQPOLSYZJNUSOR-UWVGGRQHSA-N 0 0 237.734 2.756 50 0 BFAARN CCN(CC)C(=O)c1cc(O)ccc1Cl ZINC000233452853 385955768 /nfs/dbraw/zinc/95/57/68/385955768.db2.gz QXYSHCJRTBYUIB-UHFFFAOYSA-N 0 0 227.691 2.528 50 0 BFAARN Cc1ccc(Sc2cc(C)nc(N)n2)cc1 ZINC000024971182 386046811 /nfs/dbraw/zinc/04/68/11/386046811.db2.gz BHJWFZHQWLVKRH-UHFFFAOYSA-N 0 0 231.324 2.827 50 0 BFAARN c1ccc2c(c1)CCN2Cc1nc(C2CC2)no1 ZINC000043999648 386090352 /nfs/dbraw/zinc/09/03/52/386090352.db2.gz IUTUXRTWNDTBBT-UHFFFAOYSA-N 0 0 241.294 2.510 50 0 BFAARN O=C(c1cc(Cl)ccc1F)N1CC(CF)C1 ZINC000335215095 386093207 /nfs/dbraw/zinc/09/32/07/386093207.db2.gz IPXNNPXOFDMSRA-UHFFFAOYSA-N 0 0 245.656 2.521 50 0 BFAARN FC(F)Oc1ccncc1C(F)(F)F ZINC000263623984 386157756 /nfs/dbraw/zinc/15/77/56/386157756.db2.gz MIMSEGXNWKFMSB-UHFFFAOYSA-N 0 0 213.105 2.702 50 0 BFAARN COC(=O)Cc1cc(Cl)cc(Cl)c1F ZINC000263625234 386159534 /nfs/dbraw/zinc/15/95/34/386159534.db2.gz XZICIRIJEDTSLW-UHFFFAOYSA-N 0 0 237.057 2.848 50 0 BFAARN c1cnn(-c2ccc(-c3cnco3)cc2)c1 ZINC000001390271 386171316 /nfs/dbraw/zinc/17/13/16/386171316.db2.gz WPNODROMNPJRBI-UHFFFAOYSA-N 0 0 211.224 2.527 50 0 BFAARN CC[C@H](C)n1c2ccccc2nc1CCCO ZINC000012949659 386415975 /nfs/dbraw/zinc/41/59/75/386415975.db2.gz QHRSKPBPUWDGHI-NSHDSACASA-N 0 0 232.327 2.932 50 0 BFAARN CC1(C)CC(=O)CCN1Cc1ccccc1 ZINC000005414993 386512962 /nfs/dbraw/zinc/51/29/62/386512962.db2.gz QXCCSKIRCJMSMM-UHFFFAOYSA-N 0 0 217.312 2.630 50 0 BFAARN Cc1ccnc([C@](C)(O)c2ccccc2)c1 ZINC000015781931 386527650 /nfs/dbraw/zinc/52/76/50/386527650.db2.gz HRPTXZBMBLGKJS-CQSZACIVSA-N 0 0 213.280 2.646 50 0 BFAARN FC(F)(Cl)c1nc2ccccc2[nH]1 ZINC000014628425 386544562 /nfs/dbraw/zinc/54/45/62/386544562.db2.gz MZHAPNWLKUEQQW-UHFFFAOYSA-N 0 0 202.591 2.851 50 0 BFAARN Fc1ccc(O[C@@H]2CCOC2)c(Cl)c1 ZINC000241897362 386546564 /nfs/dbraw/zinc/54/65/64/386546564.db2.gz TYBUYZRCMIAFQM-MRVPVSSYSA-N 0 0 216.639 2.647 50 0 BFAARN O=C(c1cccs1)[C@@H](O)c1ccccc1 ZINC000095908463 386557675 /nfs/dbraw/zinc/55/76/75/386557675.db2.gz YFZMKLUEORCQRT-NSHDSACASA-N 0 0 218.277 2.664 50 0 BFAARN O=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001684597 386643826 /nfs/dbraw/zinc/64/38/26/386643826.db2.gz ZISUOZSNZBKYOT-UHFFFAOYSA-N 0 0 210.232 2.735 50 0 BFAARN C1=CC[C@@H](CNc2ccc3[nH]nnc3c2)CC1 ZINC000120471617 386660187 /nfs/dbraw/zinc/66/01/87/386660187.db2.gz RNLPQYLFWWIPAR-SNVBAGLBSA-N 0 0 228.299 2.726 50 0 BFAARN Cc1nc([C@@H](C)N(C)c2ccsc2)no1 ZINC000585116116 386672024 /nfs/dbraw/zinc/67/20/24/386672024.db2.gz HPBMMWHOFNPMJB-SSDOTTSWSA-N 0 0 223.301 2.637 50 0 BFAARN FC1=CCCN(Cc2cnc(C3CC3)o2)C1 ZINC000585123981 386678648 /nfs/dbraw/zinc/67/86/48/386678648.db2.gz XHGRZWVFCNWIQW-UHFFFAOYSA-N 0 0 222.263 2.611 50 0 BFAARN Cc1nc(C(=O)Nc2c(C)cccc2C)co1 ZINC000022606332 386727281 /nfs/dbraw/zinc/72/72/81/386727281.db2.gz AFNKWEWGWBHPBK-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN Cc1nc(C(=O)Nc2ccc(C)c(C)c2)co1 ZINC000022606336 386728032 /nfs/dbraw/zinc/72/80/32/386728032.db2.gz BADJMBYMRRTLKP-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN COC(=O)c1cccc2c1C(=O)c1ccccc1-2 ZINC000000135079 386781921 /nfs/dbraw/zinc/78/19/21/386781921.db2.gz MDCCMRBQNJERFV-UHFFFAOYSA-N 0 0 238.242 2.685 50 0 BFAARN C[C@@H](NC(=O)c1ccccc1)c1cccnc1 ZINC000032731627 386815819 /nfs/dbraw/zinc/81/58/19/386815819.db2.gz DFKUWBZCRWBFBD-LLVKDONJSA-N 0 0 226.279 2.573 50 0 BFAARN O=C(CCNc1ccccc1)Nc1nccs1 ZINC000075120470 386877049 /nfs/dbraw/zinc/87/70/49/386877049.db2.gz FIXOETWXOQPFQI-UHFFFAOYSA-N 0 0 247.323 2.584 50 0 BFAARN Cc1ccc(C(=O)NCCc2ccco2)cc1F ZINC000012908655 386886399 /nfs/dbraw/zinc/88/63/99/386886399.db2.gz IQMWVEOZIJGWKK-UHFFFAOYSA-N 0 0 247.269 2.700 50 0 BFAARN CCN(C)C(=O)Nc1ccc(F)c(F)c1C ZINC000334870623 386929908 /nfs/dbraw/zinc/92/99/08/386929908.db2.gz BBBIVMMQQRUENZ-UHFFFAOYSA-N 0 0 228.242 2.757 50 0 BFAARN CO[C@H](C)c1cccc(-c2cc(C)nc(N)n2)c1 ZINC000032516086 386934588 /nfs/dbraw/zinc/93/45/88/386934588.db2.gz CTMAXPALPRJMHU-SNVBAGLBSA-N 0 0 243.310 2.742 50 0 BFAARN Cc1nc(C(=O)Oc2ccccc2)cs1 ZINC000069312094 387062595 /nfs/dbraw/zinc/06/25/95/387062595.db2.gz OEBSMTDYIFEVKN-UHFFFAOYSA-N 0 0 219.265 2.671 50 0 BFAARN Fc1cccc(Cl)c1NCc1ncccn1 ZINC000160373337 387016659 /nfs/dbraw/zinc/01/66/59/387016659.db2.gz HIBYEUXHPGAAIU-UHFFFAOYSA-N 0 0 237.665 2.881 50 0 BFAARN CC(C)C[C@@H](C)N1Cc2ccccc2OCC1=O ZINC000075165439 387122448 /nfs/dbraw/zinc/12/24/48/387122448.db2.gz YFNHQYNGCNUNGH-GFCCVEGCSA-N 0 0 247.338 2.842 50 0 BFAARN Cc1cc(N)cc(Cl)c1Br ZINC000114704006 387129686 /nfs/dbraw/zinc/12/96/86/387129686.db2.gz RDCLNHDXIKGVHL-UHFFFAOYSA-N 0 0 220.497 2.993 50 0 BFAARN Cc1ccc(OCc2nc(C3CC3)no2)cc1F ZINC000192577439 387146058 /nfs/dbraw/zinc/14/60/58/387146058.db2.gz UJBXNGGAEVPKAM-UHFFFAOYSA-N 0 0 248.257 2.974 50 0 BFAARN c1cc(-c2nnc(-c3cccnc3)o2)cs1 ZINC000020745415 387178694 /nfs/dbraw/zinc/17/86/94/387178694.db2.gz ZOGIIZRNKKVKSB-UHFFFAOYSA-N 0 0 229.264 2.860 50 0 BFAARN O=C(C1CCCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000089817989 387185218 /nfs/dbraw/zinc/18/52/18/387185218.db2.gz ADDRGZGFIJDINB-BETUJISGSA-N 0 0 221.344 2.825 50 0 BFAARN CN(C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000000399634 387219017 /nfs/dbraw/zinc/21/90/17/387219017.db2.gz UTFKRKIKZZXSDC-OAHLLOKOSA-N 0 0 227.307 2.856 50 0 BFAARN Cc1ccsc1-c1nnc([C@@H]2CCOC2)o1 ZINC000064556949 387220893 /nfs/dbraw/zinc/22/08/93/387220893.db2.gz ITIYXMHOAVLMIR-MRVPVSSYSA-N 0 0 236.296 2.610 50 0 BFAARN CCCc1nnc(-c2ccccc2F)o1 ZINC000064556908 387221049 /nfs/dbraw/zinc/22/10/49/387221049.db2.gz JHFWQTCLPNZKNI-UHFFFAOYSA-N 0 0 206.220 2.828 50 0 BFAARN c1cncc(-c2nnc(C3CCCC3)o2)c1 ZINC000064556891 387221698 /nfs/dbraw/zinc/22/16/98/387221698.db2.gz ZLFKYJRADIZMRP-UHFFFAOYSA-N 0 0 215.256 2.789 50 0 BFAARN CC(C)=CC(=O)N1C(=O)OC[C@H]1c1ccccc1 ZINC000000407955 322809752 /nfs/dbraw/zinc/80/97/52/322809752.db2.gz NQEPMXHALRXRQN-LBPRGKRZSA-N 0 0 245.278 2.673 50 0 BFAARN O=C1N[C@@]23CC=CC[C@@]12CCCCCC3 ZINC000001711595 387240104 /nfs/dbraw/zinc/24/01/04/387240104.db2.gz VFYRKGAMLRZLPZ-STQMWFEESA-N 0 0 205.301 2.546 50 0 BFAARN Cc1nn(C)c2nc(C)cc(C(F)(F)F)c12 ZINC000002740910 387244778 /nfs/dbraw/zinc/24/47/78/387244778.db2.gz PJJWNTNNTQFNKU-UHFFFAOYSA-N 0 0 229.205 2.604 50 0 BFAARN CCCCNC(=O)OCc1ccccc1 ZINC000003086153 387247308 /nfs/dbraw/zinc/24/73/08/387247308.db2.gz VQJDBGSINGXXEB-UHFFFAOYSA-N 0 0 207.273 2.713 50 0 BFAARN CNc1ccccc1C(C)(C)c1cc[nH]n1 ZINC000006962188 387250653 /nfs/dbraw/zinc/25/06/53/387250653.db2.gz GEOFLACOSJKAKR-UHFFFAOYSA-N 0 0 215.300 2.777 50 0 BFAARN O=C1C=CCCCC[C@]1(O)Cc1ccccc1 ZINC000043199336 387273708 /nfs/dbraw/zinc/27/37/08/387273708.db2.gz MJEMTPWORMLEJL-HNNXBMFYSA-N 0 0 230.307 2.660 50 0 BFAARN CC(=O)N[C@H]1CCCCCCC(=O)CCCC1 ZINC000043199364 387274312 /nfs/dbraw/zinc/27/43/12/387274312.db2.gz NTGJGBVADPBFLF-ZDUSSCGKSA-N 0 0 239.359 2.975 50 0 BFAARN C[C@]1(O)C=C[C@@H](Cc2ccccc2)CC1 ZINC000045071674 387276490 /nfs/dbraw/zinc/27/64/90/387276490.db2.gz OTDQKHHEHQWPIL-KGLIPLIRSA-N 0 0 202.297 2.946 50 0 BFAARN Cc1cnc(CNCc2cccc3[nH]ccc32)o1 ZINC000231787926 387280297 /nfs/dbraw/zinc/28/02/97/387280297.db2.gz JICYMXZUEXTVCU-UHFFFAOYSA-N 0 0 241.294 2.754 50 0 BFAARN O=C1CC[C@H]2C[C@@]34C=CC[C@@H]3CC[C@H]4[C@@H]12 ZINC000071786402 387288482 /nfs/dbraw/zinc/28/84/82/387288482.db2.gz MENZPSVQOFUHIH-WTNWGCMGSA-N 0 0 202.297 2.958 50 0 BFAARN Nc1ccccc1C(=O)n1ccc2ccccc21 ZINC000075566859 387293553 /nfs/dbraw/zinc/29/35/53/387293553.db2.gz XFXWEWFTYPGKQU-UHFFFAOYSA-N 0 0 236.274 2.912 50 0 BFAARN CCS[C@@H]1CCC[C@@H]1Nc1ncccn1 ZINC000078996778 387307911 /nfs/dbraw/zinc/30/79/11/387307911.db2.gz VPRBOEVQQSNSGI-VHSXEESVSA-N 0 0 223.345 2.563 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000012976582 387360982 /nfs/dbraw/zinc/36/09/82/387360982.db2.gz ZWSWWFLJLVFDRG-BXKDBHETSA-N 0 0 237.730 2.954 50 0 BFAARN O=C(c1cccs1)N1CCC(CF)CC1 ZINC000295694994 387362434 /nfs/dbraw/zinc/36/24/34/387362434.db2.gz GBQORABSWBWCNL-UHFFFAOYSA-N 0 0 227.304 2.570 50 0 BFAARN CCc1ccccc1N1C(=S)N=NC1CC ZINC000006395278 387377630 /nfs/dbraw/zinc/37/76/30/387377630.db2.gz DEAXYGXNQNRNDG-UHFFFAOYSA-N 0 0 233.340 2.681 50 0 BFAARN C[C@]1(F)CCCN(C(=O)c2cccs2)C1 ZINC000295621503 387329426 /nfs/dbraw/zinc/32/94/26/387329426.db2.gz RFEOJZLGOAGTPU-NSHDSACASA-N 0 0 227.304 2.712 50 0 BFAARN COC(=O)[C@@H]1[C@@]23CC=CC[C@@]12CCCC3 ZINC000247814770 387330245 /nfs/dbraw/zinc/33/02/45/387330245.db2.gz FNMFUSXRJMNISV-LMKPVCQUSA-N 0 0 206.285 2.686 50 0 BFAARN c1cnc(NC(C2CCC2)C2CCC2)cn1 ZINC000286565043 387334875 /nfs/dbraw/zinc/33/48/75/387334875.db2.gz PTAGBGSTZHQCNN-UHFFFAOYSA-N 0 0 217.316 2.857 50 0 BFAARN CCc1cc(O)ccc1NC(=O)c1cccnc1 ZINC000191095473 387346020 /nfs/dbraw/zinc/34/60/20/387346020.db2.gz QMLIVFVBWKWAHP-UHFFFAOYSA-N 0 0 242.278 2.602 50 0 BFAARN CC(=O)NCc1ccc(-c2cccs2)o1 ZINC000575605251 387387492 /nfs/dbraw/zinc/38/74/92/387387492.db2.gz OXUVEXKWEFLZSZ-UHFFFAOYSA-N 0 0 221.281 2.644 50 0 BFAARN CCCCC(=O)N[C@@H]1CCC[C@H]1SCC ZINC000079000991 387462563 /nfs/dbraw/zinc/46/25/63/387462563.db2.gz HZLDLDHVDWJODZ-GHMZBOCLSA-N 0 0 229.389 2.967 50 0 BFAARN O=C(NCc1ccc(-c2ccoc2)o1)C1CC1 ZINC000575610448 387411657 /nfs/dbraw/zinc/41/16/57/387411657.db2.gz NBVZSTGVBWOCMF-UHFFFAOYSA-N 0 0 231.251 2.566 50 0 BFAARN COC(=O)NCc1ccc(-c2ccsc2)o1 ZINC000575610499 387412240 /nfs/dbraw/zinc/41/22/40/387412240.db2.gz OPTAWUAHSHXEHX-UHFFFAOYSA-N 0 0 237.280 2.864 50 0 BFAARN Cc1ccc(C(=O)Nc2ccc3c(c2)CCO3)o1 ZINC000030372614 387517427 /nfs/dbraw/zinc/51/74/27/387517427.db2.gz BIAATPIIYNIPRN-UHFFFAOYSA-N 0 0 243.262 2.775 50 0 BFAARN Cc1ccc(C)c(NC(=O)[C@H](C)n2cccn2)c1 ZINC000024751537 387530355 /nfs/dbraw/zinc/53/03/55/387530355.db2.gz NMRHPFXSQFXZOD-LBPRGKRZSA-N 0 0 243.310 2.700 50 0 BFAARN COc1ccc(Cn2ccc(C3CC3)n2)cc1F ZINC000089457654 387544283 /nfs/dbraw/zinc/54/42/83/387544283.db2.gz OIVUNPJLHSYWQT-UHFFFAOYSA-N 0 0 246.285 2.957 50 0 BFAARN Cc1[nH]c2c(cccc2C(=O)NC(C)C)c1C ZINC000032777770 387473187 /nfs/dbraw/zinc/47/31/87/387473187.db2.gz RUBWBCZSGIODOR-UHFFFAOYSA-N 0 0 230.311 2.923 50 0 BFAARN FC(F)COCCSCc1ccco1 ZINC000252493472 387486786 /nfs/dbraw/zinc/48/67/86/387486786.db2.gz NDAJOFWMGYRKIU-UHFFFAOYSA-N 0 0 222.256 2.795 50 0 BFAARN CONC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000089420511 387487533 /nfs/dbraw/zinc/48/75/33/387487533.db2.gz AIBSUEFOEGYDGK-ZIAGYGMSSA-N 0 0 241.290 2.621 50 0 BFAARN Cc1cc(-c2cc(N(C)C)ncn2)ccc1F ZINC000426548869 387580485 /nfs/dbraw/zinc/58/04/85/387580485.db2.gz SGGPRXKPHNXKRP-UHFFFAOYSA-N 0 0 231.274 2.657 50 0 BFAARN COc1ccc2[nH]cc(-c3ccc(N)nc3)c2c1 ZINC000426584880 387580710 /nfs/dbraw/zinc/58/07/10/387580710.db2.gz UNZXWFGNSPMOSC-UHFFFAOYSA-N 0 0 239.278 2.651 50 0 BFAARN CCc1c(-c2cccc(OC)c2OC)cnn1C ZINC000426547634 387581086 /nfs/dbraw/zinc/58/10/86/387581086.db2.gz ORPYJUOTKCMFKT-UHFFFAOYSA-N 0 0 246.310 2.667 50 0 BFAARN COc1ccc(F)c(-c2nnc(C(C)(C)C)[nH]2)c1 ZINC000426606802 387582916 /nfs/dbraw/zinc/58/29/16/387582916.db2.gz UPLUPVVSOXJYIV-UHFFFAOYSA-N 0 0 249.289 2.917 50 0 BFAARN CCc1nc(-c2cc(C)c(OC)c(C)c2)n(C)n1 ZINC000426612958 387583205 /nfs/dbraw/zinc/58/32/05/387583205.db2.gz SROQQUHQRHSOBI-UHFFFAOYSA-N 0 0 245.326 2.670 50 0 BFAARN COc1ccc(-c2nc(C)cc(C)n2)cc1OC ZINC000426707144 387585822 /nfs/dbraw/zinc/58/58/22/387585822.db2.gz FNLSCHAMWWBDKU-UHFFFAOYSA-N 0 0 244.294 2.778 50 0 BFAARN CCn1ncnc1-c1ccc(O)c2ccccc12 ZINC000426711472 387587621 /nfs/dbraw/zinc/58/76/21/387587621.db2.gz OJJFSAYQUBBHDR-UHFFFAOYSA-N 0 0 239.278 2.824 50 0 BFAARN CC(=O)c1ccc(-c2cnc(C)c(C)n2)cc1 ZINC000426361378 387561340 /nfs/dbraw/zinc/56/13/40/387561340.db2.gz TWLLWGJLMCIIPY-UHFFFAOYSA-N 0 0 226.279 2.963 50 0 BFAARN COc1cccc(-c2ccc3nc(C)nn3c2)c1 ZINC000426445674 387568513 /nfs/dbraw/zinc/56/85/13/387568513.db2.gz SVWZQTHYIQTDMZ-UHFFFAOYSA-N 0 0 239.278 2.713 50 0 BFAARN COc1ccc(C)nc1-c1cccc2ccnn21 ZINC000426515498 387578013 /nfs/dbraw/zinc/57/80/13/387578013.db2.gz HLOMRFDQOIMOEN-UHFFFAOYSA-N 0 0 239.278 2.713 50 0 BFAARN CCn1ncc(C[N@H+](C)C[C@H]2CC=CCC2)c1C ZINC000426527919 387578651 /nfs/dbraw/zinc/57/86/51/387578651.db2.gz OJCULMOTMQYOTK-AWEZNQCLSA-N 0 0 247.386 3.000 50 0 BFAARN Cc1cc(C(=O)NCC2CC2)c(C)s1 ZINC000032906084 387756146 /nfs/dbraw/zinc/75/61/46/387756146.db2.gz KZYTYAQYIXGNMR-UHFFFAOYSA-N 0 0 209.314 2.505 50 0 BFAARN O=C(C1CCCC1)N1CCC[C@H]1c1ccc[nH]1 ZINC000048687293 387783091 /nfs/dbraw/zinc/78/30/91/387783091.db2.gz IDFXTXATQLMKBH-ZDUSSCGKSA-N 0 0 232.327 2.868 50 0 BFAARN Cc1nn(C(C)C)c2nc(C)cc(C)c12 ZINC000000184907 177878073 /nfs/dbraw/zinc/87/80/73/177878073.db2.gz ICMAZOPMXQTRKY-UHFFFAOYSA-N 0 0 203.289 2.937 50 0 BFAARN c1[nH]c2ccccc2c1CCNc1ncccn1 ZINC000008149104 387898434 /nfs/dbraw/zinc/89/84/34/387898434.db2.gz RTNLWWDTJVZDKV-UHFFFAOYSA-N 0 0 238.294 2.613 50 0 biogenic BFAARN CCSc1nc2ccc(-n3cnnc3)cc2o1 ZINC000065433064 387914303 /nfs/dbraw/zinc/91/43/03/387914303.db2.gz NZGQQLOFKHPVSH-UHFFFAOYSA-N 0 0 246.295 2.521 50 0 BFAARN Cc1cc(C(=O)Nc2cc(F)cc(F)c2)on1 ZINC000026888608 177816769 /nfs/dbraw/zinc/81/67/69/177816769.db2.gz PSKNQSBEWGSTIT-UHFFFAOYSA-N 0 0 238.193 2.514 50 0 BFAARN CCN(CC)C(=O)/C=C/c1cccc(F)c1 ZINC000065521468 388066903 /nfs/dbraw/zinc/06/69/03/388066903.db2.gz KASHECISPCZYEU-CMDGGOBGSA-N 0 0 221.275 2.707 50 0 BFAARN C[C@@H]1C[C@H](SCc2ccccc2)C(=O)O1 ZINC000065576085 388085756 /nfs/dbraw/zinc/08/57/56/388085756.db2.gz OADPXXKPBOQIBJ-KOLCDFICSA-N 0 0 222.309 2.624 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)c2ccncc2)cc1 ZINC000013328116 388129203 /nfs/dbraw/zinc/12/92/03/388129203.db2.gz LODBLZMRYMHSGS-LBPRGKRZSA-N 0 0 240.306 2.881 50 0 BFAARN Cc1cc(C(=O)N[C@@H](C)c2ccncc2)c(C)o1 ZINC000007184176 388260702 /nfs/dbraw/zinc/26/07/02/388260702.db2.gz OZIKOLJSKDIBLT-JTQLQIEISA-N 0 0 244.294 2.782 50 0 BFAARN Cc1ccc(C)c(NC(=O)Nc2cccnn2)c1 ZINC000170087932 388258076 /nfs/dbraw/zinc/25/80/76/388258076.db2.gz PHGXEXKFRSBQTC-UHFFFAOYSA-N 0 0 242.282 2.737 50 0 BFAARN Cc1cncc(NCc2ccc(O)cc2)c1 ZINC000170087915 388258102 /nfs/dbraw/zinc/25/81/02/388258102.db2.gz RNKRTWLVMBROBE-UHFFFAOYSA-N 0 0 214.268 2.708 50 0 BFAARN Cc1cccc(CC(=O)N2CCS[C@@H](C)C2)c1 ZINC000171567411 388405086 /nfs/dbraw/zinc/40/50/86/388405086.db2.gz IGSYUMKFIDQHAI-LBPRGKRZSA-N 0 0 249.379 2.501 50 0 BFAARN O=C(NC(C1CC1)C1CC1)c1cccc(F)c1 ZINC000057547440 388362896 /nfs/dbraw/zinc/36/28/96/388362896.db2.gz NMKNEHFPZNWUTN-UHFFFAOYSA-N 0 0 233.286 2.744 50 0 BFAARN Cc1csc(N(C(=O)[C@@H]2C[C@H]2C)C2CC2)n1 ZINC000089705682 388363188 /nfs/dbraw/zinc/36/31/88/388363188.db2.gz PYSKWZIICCLNKU-GMSGAONNSA-N 0 0 236.340 2.603 50 0 BFAARN C/C(Cl)=C\CS(=O)(=O)Cc1ccccc1 ZINC000530112510 388405182 /nfs/dbraw/zinc/40/51/82/388405182.db2.gz JQBZMXKZGMTOCX-JXMROGBWSA-N 0 0 244.743 2.744 50 0 BFAARN O=Cc1cn(-c2ccccc2)nc1-c1ccccn1 ZINC000003183080 388368478 /nfs/dbraw/zinc/36/84/78/388368478.db2.gz AOHOQZPDLJHDRM-UHFFFAOYSA-N 0 0 249.273 2.747 50 0 BFAARN C[C@@H]1[C@H]2CCC[C@H](C2=O)[C@@]2(O)CCCC[C@@H]12 ZINC000012656831 256646151 /nfs/dbraw/zinc/64/61/51/256646151.db2.gz HZMOLOUVPKADBE-YGEZULPYSA-N 0 0 222.328 2.543 50 0 biogenic BFAARN CN(Cc1ccco1)c1ncnc2ccccc21 ZINC000012953216 256647063 /nfs/dbraw/zinc/64/70/63/256647063.db2.gz WMFPSPHKUNFQCN-UHFFFAOYSA-N 0 0 239.278 2.859 50 0 BFAARN Cc1ccc(CN=Nc2nc(C)cc(C)n2)s1 ZINC000254827060 388370534 /nfs/dbraw/zinc/37/05/34/388370534.db2.gz VMGKIYUNUKJOIL-UHFFFAOYSA-N 0 0 246.339 2.909 50 0 BFAARN CCc1ccc2nc(NC(C)=O)sc2c1 ZINC000003294536 388371860 /nfs/dbraw/zinc/37/18/60/388371860.db2.gz NCYFJUPBKNGVID-UHFFFAOYSA-N 0 0 220.297 2.817 50 0 BFAARN FC(F)(F)COc1cccnc1Cl ZINC000038843939 388406115 /nfs/dbraw/zinc/40/61/15/388406115.db2.gz IUTMJBMTEOTFKB-UHFFFAOYSA-N 0 0 211.570 2.676 50 0 BFAARN O=C(/C=C\c1cccnc1)NC1CCCCC1 ZINC000098054403 256663226 /nfs/dbraw/zinc/66/32/26/256663226.db2.gz KNIRIOLNTXHLDH-HJWRWDBZSA-N 0 0 230.311 2.544 50 0 BFAARN CCCn1cc(NC2CCSCC2)cn1 ZINC000090191979 388396027 /nfs/dbraw/zinc/39/60/27/388396027.db2.gz LJNSYXSPXJOQDP-UHFFFAOYSA-N 0 0 225.361 2.601 50 0 BFAARN CC[C@@H](NC(C)=O)c1ccc(Cl)cc1 ZINC000034583608 388474183 /nfs/dbraw/zinc/47/41/83/388474183.db2.gz VZZPTNWICPVWEE-LLVKDONJSA-N 0 0 211.692 2.927 50 0 BFAARN COC(=O)c1ccc(-c2ccccc2)nc1 ZINC000008700055 388407324 /nfs/dbraw/zinc/40/73/24/388407324.db2.gz DXHZSBAEWGPUKI-UHFFFAOYSA-N 0 0 213.236 2.535 50 0 BFAARN CCc1ccc(CNC(=O)c2cccnc2)s1 ZINC000040108987 388411706 /nfs/dbraw/zinc/41/17/06/388411706.db2.gz KOTUUUNLESKWNV-UHFFFAOYSA-N 0 0 246.335 2.636 50 0 BFAARN O=C(CCc1ccccc1F)NCc1ccco1 ZINC000040461140 388416686 /nfs/dbraw/zinc/41/66/86/388416686.db2.gz GREMNOPPVMOESL-UHFFFAOYSA-N 0 0 247.269 2.668 50 0 BFAARN CC[C@H]1CCCCN1C(=O)CC[C@H]1CCCO1 ZINC000040505765 388419161 /nfs/dbraw/zinc/41/91/61/388419161.db2.gz KFNWMMBKCVDUQE-QWHCGFSZSA-N 0 0 239.359 2.737 50 0 BFAARN Cc1ccc(NC(=O)CC[C@@H]2CCCO2)cc1 ZINC000040505848 388419162 /nfs/dbraw/zinc/41/91/62/388419162.db2.gz VZHDOAUYENSMAG-ZDUSSCGKSA-N 0 0 233.311 2.893 50 0 BFAARN O=C(CC[C@@H]1CCCO1)Nc1ccccc1F ZINC000040505936 388419191 /nfs/dbraw/zinc/41/91/91/388419191.db2.gz AXNFBVXINRMXDW-JTQLQIEISA-N 0 0 237.274 2.723 50 0 BFAARN CC[C@@H](C)NC(=O)CCc1ccc(F)c(F)c1 ZINC000040505714 388419294 /nfs/dbraw/zinc/41/92/94/388419294.db2.gz PBCKXFWZBFFRCP-SECBINFHSA-N 0 0 241.281 2.812 50 0 BFAARN CCONC(=O)c1cc2ccc(C)cc2nc1C ZINC000040514015 388419813 /nfs/dbraw/zinc/41/98/13/388419813.db2.gz IAFGZUUVGBXMOD-UHFFFAOYSA-N 0 0 244.294 2.533 50 0 BFAARN Cc1ccc(F)cc1NC(=O)c1ccc(F)nc1 ZINC000069704244 388424825 /nfs/dbraw/zinc/42/48/25/388424825.db2.gz ATTMNVBNDMVARY-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN O=C1Nc2ccccc2/C1=C\c1ccncc1 ZINC000009338979 388430187 /nfs/dbraw/zinc/43/01/87/388430187.db2.gz YJIPMQPTUPEVAU-FMIVXFBMSA-N 0 0 222.247 2.574 50 0 BFAARN Cc1ccc(C)c(Nc2cc(C)nc(N)n2)c1 ZINC000001676607 388433939 /nfs/dbraw/zinc/43/39/39/388433939.db2.gz ZFLFFCLARJZXRI-UHFFFAOYSA-N 0 0 228.299 2.728 50 0 BFAARN Cc1cccc(CSCC(=O)N2CCCC2)c1 ZINC000041365003 388434708 /nfs/dbraw/zinc/43/47/08/388434708.db2.gz NNZAEOLJCSQUOV-UHFFFAOYSA-N 0 0 249.379 2.851 50 0 BFAARN Cc1ccc([S@@](=O)CCCOC(C)C)cc1 ZINC000195579554 388497750 /nfs/dbraw/zinc/49/77/50/388497750.db2.gz NCNTUCBKPCDAER-INIZCTEOSA-N 0 0 240.368 2.918 50 0 BFAARN Cc1cc(C(=O)N(C)[C@@H](C)C2CC2)c(C)o1 ZINC000032907053 177741946 /nfs/dbraw/zinc/74/19/46/177741946.db2.gz MOBOTOPTPCWLPX-VIFPVBQESA-N 0 0 221.300 2.767 50 0 BFAARN CCN(C(=O)c1occc1C)c1ncccc1C ZINC000253431377 388593275 /nfs/dbraw/zinc/59/32/75/388593275.db2.gz PTIMZHPHALBIEV-UHFFFAOYSA-N 0 0 244.294 2.958 50 0 BFAARN COc1cc(C(F)(F)F)cnc1Cl ZINC000091297117 388611864 /nfs/dbraw/zinc/61/18/64/388611864.db2.gz YEFZEHDMELRBFT-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN CNc1nc(-c2cc(C)n(C)c2C)cs1 ZINC000007844453 388584205 /nfs/dbraw/zinc/58/42/05/388584205.db2.gz JMCGWPFCJWLUEQ-UHFFFAOYSA-N 0 0 221.329 2.807 50 0 BFAARN CNc1nc(-c2ccccc2OC)cs1 ZINC000007844484 388585505 /nfs/dbraw/zinc/58/55/05/388585505.db2.gz ZHHOXJFXQNQOSA-UHFFFAOYSA-N 0 0 220.297 2.860 50 0 BFAARN COCCSCc1nc2ccccc2nc1C ZINC000192678931 388681352 /nfs/dbraw/zinc/68/13/52/388681352.db2.gz LDSHNKUIIBYFGT-UHFFFAOYSA-N 0 0 248.351 2.818 50 0 BFAARN Cc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)no1 ZINC000108481646 388624283 /nfs/dbraw/zinc/62/42/83/388624283.db2.gz GCJYBHPTKXASRM-JMJZKYOTSA-N 0 0 236.315 2.538 50 0 BFAARN COCc1ccccc1CNc1ncccc1F ZINC000054700648 388664324 /nfs/dbraw/zinc/66/43/24/388664324.db2.gz UKWAUHWPAPQRIC-UHFFFAOYSA-N 0 0 246.285 2.979 50 0 BFAARN C[C@H](C(=O)N1CCCCC1)c1ccsc1 ZINC000089913458 388742402 /nfs/dbraw/zinc/74/24/02/388742402.db2.gz CUDGFIUWLJBWFA-JTQLQIEISA-N 0 0 223.341 2.864 50 0 BFAARN CC[C@]1(C)C[C@@]2(C=C[C@H](O)CC2)CCO1 ZINC000012656524 388722731 /nfs/dbraw/zinc/72/27/31/388722731.db2.gz MEELPUOSODYWIN-YNEHKIRRSA-N 0 0 210.317 2.663 50 0 biogenic BFAARN CCC[C@H](C)CC(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000095957783 388794379 /nfs/dbraw/zinc/79/43/79/388794379.db2.gz ADMWAMQEJYHWPJ-JTQLQIEISA-N 0 0 245.326 2.750 50 0 BFAARN COC[C@H](Cc1ccccc1)Nc1cccnc1 ZINC000095969115 388796196 /nfs/dbraw/zinc/79/61/96/388796196.db2.gz ILHRKVLYPGMUFU-HNNXBMFYSA-N 0 0 242.322 2.751 50 0 BFAARN FC(F)(F)CCCCNc1ncccn1 ZINC000095973084 388797909 /nfs/dbraw/zinc/79/79/09/388797909.db2.gz QHWGNTZCJTYKQK-UHFFFAOYSA-N 0 0 219.210 2.621 50 0 BFAARN Cc1[nH]ccc1C(=O)Nc1ccc(C)c(O)c1C ZINC000095972494 388798139 /nfs/dbraw/zinc/79/81/39/388798139.db2.gz SWFCQWXELKJCIX-UHFFFAOYSA-N 0 0 244.294 2.898 50 0 BFAARN CN(C)c1ccccc1N(C)Cc1nccs1 ZINC000095977667 388798513 /nfs/dbraw/zinc/79/85/13/388798513.db2.gz DQJMNOUGHXBBPQ-UHFFFAOYSA-N 0 0 247.367 2.846 50 0 BFAARN CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccno2)C1(C)C ZINC000095992922 388802284 /nfs/dbraw/zinc/80/22/84/388802284.db2.gz WFKGXPUXZKGCBX-RYUDHWBXSA-N 0 0 248.326 2.529 50 0 BFAARN C[C@@H]1c2cccn2CCN1C(=O)/C=C\C(C)(C)C ZINC000096034931 388805646 /nfs/dbraw/zinc/80/56/46/388805646.db2.gz ZQWDAGWOSUKDGQ-QDZRJHCZSA-N 0 0 246.354 2.994 50 0 BFAARN CO[C@H](CNC(=O)C(C)(C)C)c1ccccc1C ZINC000096104906 388808301 /nfs/dbraw/zinc/80/83/01/388808301.db2.gz LBEVDZDHVPXSQR-CYBMUJFWSA-N 0 0 249.354 2.845 50 0 BFAARN CCCCNc1ccc(C(=O)N(C)C)c(C)c1 ZINC000095409632 388766917 /nfs/dbraw/zinc/76/69/17/388766917.db2.gz ULLUCJCSWPRATA-UHFFFAOYSA-N 0 0 234.343 2.909 50 0 BFAARN CC(C)CSCCCNC(=O)c1ccoc1 ZINC000095440558 388771663 /nfs/dbraw/zinc/77/16/63/388771663.db2.gz RAQFUPXHTSJCPK-UHFFFAOYSA-N 0 0 241.356 2.789 50 0 BFAARN CC(C)(C)c1nccc(N2CCC=C(F)C2)n1 ZINC000095467668 388774547 /nfs/dbraw/zinc/77/45/47/388774547.db2.gz VQBZKCPUJNRUMX-UHFFFAOYSA-N 0 0 235.306 2.838 50 0 BFAARN c1ccc(Cc2noc([C@@H]3CCCO3)n2)cc1 ZINC000020536282 388776309 /nfs/dbraw/zinc/77/63/09/388776309.db2.gz DSUSHLWIOWYFNC-NSHDSACASA-N 0 0 230.267 2.512 50 0 BFAARN c1nc2nccc(-c3cc4ccccc4o3)n2n1 ZINC000095476847 388776474 /nfs/dbraw/zinc/77/64/74/388776474.db2.gz RGYBDFFLUMYBAU-UHFFFAOYSA-N 0 0 236.234 2.538 50 0 BFAARN CC(C)c1nc2nccc(-c3ccccc3)n2n1 ZINC000096344189 388815766 /nfs/dbraw/zinc/81/57/66/388815766.db2.gz SKXIDNMWIWECKY-UHFFFAOYSA-N 0 0 238.294 2.915 50 0 BFAARN Cc1cscc1C(=O)Nc1ccncc1F ZINC000097032098 388831706 /nfs/dbraw/zinc/83/17/06/388831706.db2.gz IXJFKQQKGPMPCB-UHFFFAOYSA-N 0 0 236.271 2.843 50 0 BFAARN COC(=O)c1cc(OC)c2ccccc2c1OC ZINC000002544775 388836968 /nfs/dbraw/zinc/83/69/68/388836968.db2.gz YCLPKVULIDNCMN-UHFFFAOYSA-N 0 0 246.262 2.644 50 0 BFAARN Cc1cc(-c2ccc(C=O)cc2)sn1 ZINC000091695998 177682682 /nfs/dbraw/zinc/68/26/82/177682682.db2.gz UOLOGZKZHHDENS-UHFFFAOYSA-N 0 0 203.266 2.931 50 0 BFAARN Cc1c[nH]c2nc(Cl)nc(Cl)c12 ZINC000063772251 177643087 /nfs/dbraw/zinc/64/30/87/177643087.db2.gz YXPYVRKJOFGHQI-UHFFFAOYSA-N 0 0 202.044 2.573 50 0 BFAARN C[C@@H]1CN(c2ccc(N)cc2Cl)C[C@H](C)O1 ZINC000019094114 132324295 /nfs/dbraw/zinc/32/42/95/132324295.db2.gz AFDLMBVDIMFVHA-DTORHVGOSA-N 0 0 240.734 2.536 50 0 BFAARN COC(=O)N1c2ccc(F)cc2CC[C@@H]1C ZINC000002751504 132315068 /nfs/dbraw/zinc/31/50/68/132315068.db2.gz LOMMUUIDJKXJIN-QMMMGPOBSA-N 0 0 223.247 2.733 50 0 BFAARN CC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000006563039 322816321 /nfs/dbraw/zinc/81/63/21/322816321.db2.gz LHUOYQIWKGKBBY-UHFFFAOYSA-N 0 0 234.299 2.630 50 0 BFAARN CCC(=O)Nc1ccc(Br)cc1F ZINC000001016994 168244758 /nfs/dbraw/zinc/24/47/58/168244758.db2.gz XVEWTHMZUCMHLS-UHFFFAOYSA-N 0 0 246.079 2.937 50 0 BFAARN Cc1nccnc1N1CCC(C(F)(F)F)CC1 ZINC000290741693 132217264 /nfs/dbraw/zinc/21/72/64/132217264.db2.gz HLIMDYCVPZJFCG-UHFFFAOYSA-N 0 0 245.248 2.564 50 0 BFAARN O=C(N1CCCc2ccccc21)C(F)(F)F ZINC000000173364 132313047 /nfs/dbraw/zinc/31/30/47/132313047.db2.gz XLGFUYHYKNMRQQ-UHFFFAOYSA-N 0 0 229.201 2.528 50 0 BFAARN Nc1cc(Cl)ccc1N1CCCCC1 ZINC000000359419 132313566 /nfs/dbraw/zinc/31/35/66/132313566.db2.gz BFOQYOCNAFPILH-UHFFFAOYSA-N 0 0 210.708 2.913 50 0 BFAARN Cc1ccc(N2C(=O)CCCC2=O)cc1Cl ZINC000003086187 132315487 /nfs/dbraw/zinc/31/54/87/132315487.db2.gz LSYGSVXTGMAPRL-UHFFFAOYSA-N 0 0 237.686 2.692 50 0 BFAARN CC(=O)N1CCC(=O)c2cc3ccccc3cc21 ZINC000003898877 132315772 /nfs/dbraw/zinc/31/57/72/132315772.db2.gz GICRRTZYRDPQSE-UHFFFAOYSA-N 0 0 239.274 2.779 50 0 BFAARN Cc1cc(N2C[C@H](C)O[C@@H](C)C2)nc(C(C)C)n1 ZINC000004087972 132316024 /nfs/dbraw/zinc/31/60/24/132316024.db2.gz BHGVTJFROQCXLB-RYUDHWBXSA-N 0 0 249.358 2.522 50 0 BFAARN Cc1ccc(N2CCCC[C@H]2C)c(N)c1 ZINC000008702596 132319112 /nfs/dbraw/zinc/31/91/12/132319112.db2.gz SKIXZIHSNVILJZ-LLVKDONJSA-N 0 0 204.317 2.956 50 0 BFAARN Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(C(C)C)n1 ZINC000017885766 132323987 /nfs/dbraw/zinc/32/39/87/132323987.db2.gz BHGVTJFROQCXLB-TXEJJXNPSA-N 0 0 249.358 2.522 50 0 BFAARN C[C@@H]1CN(c2ccc(Cl)cc2N)C[C@H](C)O1 ZINC000020284881 132331117 /nfs/dbraw/zinc/33/11/17/132331117.db2.gz VGTBDTRAZIEEKB-DTORHVGOSA-N 0 0 240.734 2.536 50 0 BFAARN Cc1cc(C)nc(N2CCc3sccc3C2)n1 ZINC000029443084 132334215 /nfs/dbraw/zinc/33/42/15/132334215.db2.gz VCKHXIKUKRYRSR-UHFFFAOYSA-N 0 0 245.351 2.718 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N1CCCc2ccccc21 ZINC000032975322 132335769 /nfs/dbraw/zinc/33/57/69/132335769.db2.gz HRKQJDIJINBUOC-ZYHUDNBSSA-N 0 0 215.296 2.622 50 0 BFAARN Clc1cc(N2CCc3ccccc3C2)ncn1 ZINC000040422315 132347225 /nfs/dbraw/zinc/34/72/25/132347225.db2.gz VFUDDEGKULGUMP-UHFFFAOYSA-N 0 0 245.713 2.693 50 0 BFAARN CC[C@H]1CCCCN1c1cc(=S)[nH]cn1 ZINC000045918625 132355000 /nfs/dbraw/zinc/35/50/00/132355000.db2.gz YRZYETZCYPNNOW-VIFPVBQESA-N 0 0 223.345 2.908 50 0 BFAARN CC(C)=CCN1CCN(c2ccccc2F)CC1 ZINC000058044874 132368015 /nfs/dbraw/zinc/36/80/15/132368015.db2.gz ZBBNOOBPJYSVPJ-UHFFFAOYSA-N 0 0 248.345 2.914 50 0 BFAARN Cc1cc(CN2C[C@H](C)Oc3ccccc32)no1 ZINC000071897395 132395576 /nfs/dbraw/zinc/39/55/76/132395576.db2.gz LVNFEYDGPQCSGX-NSHDSACASA-N 0 0 244.294 2.771 50 0 BFAARN O=Cc1cccc(F)c1N1CCC(F)(F)CC1 ZINC000095081225 132429495 /nfs/dbraw/zinc/42/94/95/132429495.db2.gz SLUUTWAVWYVQRW-UHFFFAOYSA-N 0 0 243.228 2.874 50 0 BFAARN CC1=C[C@@H](C)CN(C(=O)C2(CF)CCC2)C1 ZINC000335531658 133877703 /nfs/dbraw/zinc/87/77/03/133877703.db2.gz UBAVKDBOJWFFOY-SNVBAGLBSA-N 0 0 225.307 2.551 50 0 BFAARN O=C(C1CC(F)(F)C1)N1CCCC12CCC2 ZINC000336059268 134067099 /nfs/dbraw/zinc/06/70/99/134067099.db2.gz JTJIMFBQEWSFCY-UHFFFAOYSA-N 0 0 229.270 2.577 50 0 BFAARN O=C(N[C@@H]1C=CCCC1)[C@H]1CCC(F)(F)C1 ZINC000336082633 134075773 /nfs/dbraw/zinc/07/57/73/134075773.db2.gz WUEBKKQLBAHNSN-VHSXEESVSA-N 0 0 229.270 2.647 50 0 BFAARN Cc1ccc(N2N[C@](C)(CC(C)C)NC2=O)cc1 ZINC000334160367 134159868 /nfs/dbraw/zinc/15/98/68/134159868.db2.gz CAWYVQIFWFPKJH-CQSZACIVSA-N 0 0 247.342 2.792 50 0 BFAARN CCC[C@]1(CC)NC(=O)N(c2ccccc2C)N1 ZINC000334160944 134159899 /nfs/dbraw/zinc/15/98/99/134159899.db2.gz PJWXIABJNBJYRU-CQSZACIVSA-N 0 0 247.342 2.936 50 0 BFAARN COc1cccc(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000408520020 134811025 /nfs/dbraw/zinc/81/10/25/134811025.db2.gz LYILXOOJPACPPG-SWHYSGLUSA-N 0 0 245.322 2.614 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCSC1 ZINC000082318478 134951148 /nfs/dbraw/zinc/95/11/48/134951148.db2.gz GQWMKYGMYMQBBP-VXGBXAGGSA-N 0 0 241.400 2.921 50 0 BFAARN CC(=O)C[C@H](C)CCNC(=O)OC(C)(C)C ZINC000238833343 135078512 /nfs/dbraw/zinc/07/85/12/135078512.db2.gz AQLQVPFCUIFAFL-SECBINFHSA-N 0 0 229.320 2.516 50 0 BFAARN c1cnc2ccc(OC[C@@H]3CCOC3)cc2c1 ZINC000078990585 135265462 /nfs/dbraw/zinc/26/54/62/135265462.db2.gz HWIXUGXUUCXERO-LLVKDONJSA-N 0 0 229.279 2.650 50 0 BFAARN O=C(c1cccc2ccccc21)N1CC(CF)C1 ZINC000335223884 135410021 /nfs/dbraw/zinc/41/00/21/135410021.db2.gz XPYOUCXUCXDBIH-UHFFFAOYSA-N 0 0 243.281 2.881 50 0 BFAARN CNC(=O)Nc1cc(-c2ccccc2)ns1 ZINC000089391667 135534147 /nfs/dbraw/zinc/53/41/47/135534147.db2.gz ZBXRDZSDEHKFLY-UHFFFAOYSA-N 0 0 233.296 2.561 50 0 BFAARN O=C1[C@@H](Sc2cccs2)CCN1C1CC1 ZINC000089800040 135542495 /nfs/dbraw/zinc/54/24/95/135542495.db2.gz WFKKIGVKTKGITF-VIFPVBQESA-N 0 0 239.365 2.604 50 0 BFAARN C[C@@H](N(C)C(=O)c1ccoc1)C(C)(C)C ZINC000032788209 135808411 /nfs/dbraw/zinc/80/84/11/135808411.db2.gz HPSBRUGMTNLNNS-SECBINFHSA-N 0 0 209.289 2.786 50 0 BFAARN CC(C)CN(CC(F)(F)F)C(=O)c1ccoc1 ZINC000097324562 166951172 /nfs/dbraw/zinc/95/11/72/166951172.db2.gz UYKFNYMCCXBQMF-UHFFFAOYSA-N 0 0 249.232 2.940 50 0 BFAARN O=Cc1ccc(F)cc1OCC(F)(F)F ZINC000585662152 397796774 /nfs/dbraw/zinc/79/67/74/397796774.db2.gz JFQSPKKRTBFDEB-UHFFFAOYSA-N 0 0 222.137 2.579 50 0 BFAARN OCCC1(CNc2ccc3ccccc3n2)CC1 ZINC000157242586 397934010 /nfs/dbraw/zinc/93/40/10/397934010.db2.gz IRTWIFJAZWZYHJ-UHFFFAOYSA-N 0 0 242.322 2.809 50 0 BFAARN O=C(CCC1CCCC1)NCc1cccnc1 ZINC000000433885 397914788 /nfs/dbraw/zinc/91/47/88/397914788.db2.gz OLNVJWYPCGLCQH-UHFFFAOYSA-N 0 0 232.327 2.668 50 0 BFAARN Cc1nc(CSc2nc3ccccc3[nH]2)no1 ZINC000029188686 397993123 /nfs/dbraw/zinc/99/31/23/397993123.db2.gz CNUKKTXKISICJZ-UHFFFAOYSA-N 0 0 246.295 2.547 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000034858331 398016122 /nfs/dbraw/zinc/01/61/22/398016122.db2.gz BVFWVDWDLGJAFT-HONMWMINSA-N 0 0 229.323 2.910 50 0 BFAARN C[C@@H]1Cc2c(cccc2Br)C1=O ZINC000022863136 397976280 /nfs/dbraw/zinc/97/62/80/397976280.db2.gz AHMJTIYXKJRVFF-ZCFIWIBFSA-N 0 0 225.085 2.824 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)CCc2ccco2)o1 ZINC000023306989 397978890 /nfs/dbraw/zinc/97/88/90/397978890.db2.gz MVMPNZAIKJATJD-LLVKDONJSA-N 0 0 247.294 2.991 50 0 BFAARN Cc1ccc(Nc2nc(C)c(C)c(=O)[nH]2)cc1C ZINC000066324451 398091494 /nfs/dbraw/zinc/09/14/94/398091494.db2.gz XLZOAIQEJKGKCB-UHFFFAOYSA-N 0 0 243.310 2.747 50 0 BFAARN CN(CC1CCCCC1)C(=O)c1ccncc1 ZINC000032769702 322865970 /nfs/dbraw/zinc/86/59/70/322865970.db2.gz KKWTWQGHGMRURN-UHFFFAOYSA-N 0 0 232.327 2.734 50 0 BFAARN CNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000396195 173292918 /nfs/dbraw/zinc/29/29/18/173292918.db2.gz IDQHRQQSSQDLTR-UHFFFAOYSA-N 0 0 219.071 2.745 50 0 in-vitro BFAARN CC(C)NC(=O)N[C@H](C)c1cccc(F)c1 ZINC000048289238 167076750 /nfs/dbraw/zinc/07/67/50/167076750.db2.gz YFINHNCIKMFMSN-SECBINFHSA-N 0 0 224.279 2.594 50 0 BFAARN Brc1ccc(Br)nc1 ZINC000000343301 166098445 /nfs/dbraw/zinc/09/84/45/166098445.db2.gz ZHXUWDPHUQHFOV-UHFFFAOYSA-N 0 0 236.894 2.607 50 0 in-vitro BFAARN Brc1ccc2cccnc2c1 ZINC000001020114 166099036 /nfs/dbraw/zinc/09/90/36/166099036.db2.gz XYBSZCUHOLWQQU-UHFFFAOYSA-N 0 0 208.058 2.997 50 0 BFAARN Brc1ccc2ccccc2n1 ZINC000012359388 166099592 /nfs/dbraw/zinc/09/95/92/166099592.db2.gz QKJAZPHKNWSXDF-UHFFFAOYSA-N 0 0 208.058 2.997 50 0 BFAARN Brc1cccc(C2OCCCO2)c1 ZINC000002581190 166101612 /nfs/dbraw/zinc/10/16/12/166101612.db2.gz JEMRRZJFAXMRKE-UHFFFAOYSA-N 0 0 243.100 2.885 50 0 BFAARN Brc1cnc(Br)s1 ZINC000001756180 166104155 /nfs/dbraw/zinc/10/41/55/166104155.db2.gz XIBIQFJKUZZLLX-UHFFFAOYSA-N 0 0 242.923 2.668 50 0 in-vitro BFAARN Brc1ccnc(NC2CCCC2)n1 ZINC000071787919 166103320 /nfs/dbraw/zinc/10/33/20/166103320.db2.gz KRYKNKFLOGYGRL-UHFFFAOYSA-N 0 0 242.120 2.594 50 0 BFAARN Brc1cncc(Br)c1 ZINC000000032311 166105023 /nfs/dbraw/zinc/10/50/23/166105023.db2.gz SOSPMXMEOFGPIM-UHFFFAOYSA-N 0 0 236.894 2.607 50 0 in-vitro BFAARN Brc1cn(Cc2ccccc2)cn1 ZINC000022001048 166105118 /nfs/dbraw/zinc/10/51/18/166105118.db2.gz SEDUHBKZBAORFI-UHFFFAOYSA-N 0 0 237.100 2.694 50 0 BFAARN Brc1csc(Br)n1 ZINC000002245232 166106123 /nfs/dbraw/zinc/10/61/23/166106123.db2.gz MKEJZKKVVUZXIS-UHFFFAOYSA-N 0 0 242.923 2.668 50 0 BFAARN Fc1cccc(Cc2noc([C@H]3CCCO3)n2)c1 ZINC000252489372 410466634 /nfs/dbraw/zinc/46/66/34/410466634.db2.gz JPNAGBGNZSCEHX-LLVKDONJSA-N 0 0 248.257 2.651 50 0 BFAARN CC(C)(C)C(=O)N1CCc2ccccc2C1 ZINC000005383550 166526766 /nfs/dbraw/zinc/52/67/66/166526766.db2.gz HWSYMHFJGZIIOP-UHFFFAOYSA-N 0 0 217.312 2.617 50 0 BFAARN CC(C)(C)NC(=S)Nc1ccc(F)cc1 ZINC000000493350 166630514 /nfs/dbraw/zinc/63/05/14/166630514.db2.gz IWZGIPVTSGGNME-UHFFFAOYSA-N 0 0 226.320 2.911 50 0 BFAARN CC(C)(C)OC(=O)N1CCNc2ccccc2C1 ZINC000002928313 166650840 /nfs/dbraw/zinc/65/08/40/166650840.db2.gz BVENZEAGNIYZSY-UHFFFAOYSA-N 0 0 248.326 2.849 50 0 BFAARN CC(C)(C)OC(=O)N1Cc2ccccc2C1 ZINC000082610568 166658459 /nfs/dbraw/zinc/65/84/59/166658459.db2.gz DXECVLLAHDLREE-UHFFFAOYSA-N 0 0 219.284 2.937 50 0 BFAARN CC(C)(C)OC(=O)N1Cc2ccc(N)cc2C1 ZINC000040448608 166658696 /nfs/dbraw/zinc/65/86/96/166658696.db2.gz WJFWIRWHYIDBAQ-UHFFFAOYSA-N 0 0 234.299 2.520 50 0 BFAARN CC(C)(C)OC(=O)Nc1cccc(CO)c1 ZINC000002541561 166669524 /nfs/dbraw/zinc/66/95/24/166669524.db2.gz OPMWQSDBBSURGY-UHFFFAOYSA-N 0 0 223.272 2.526 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccccc1N ZINC000000039322 166669958 /nfs/dbraw/zinc/66/99/58/166669958.db2.gz KCZFBLNQOSFGSH-UHFFFAOYSA-N 0 0 208.261 2.616 50 0 in-vitro BFAARN CC(C)(C)OC(=O)Nc1ocnc1C1CC1 ZINC000225503941 166670655 /nfs/dbraw/zinc/67/06/55/166670655.db2.gz HHQJCMNOHICGGA-UHFFFAOYSA-N 0 0 224.260 2.899 50 0 BFAARN CC(C)C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000041421371 166711934 /nfs/dbraw/zinc/71/19/34/166711934.db2.gz NWYKBEGZNZJPER-JSGCOSHPSA-N 0 0 247.338 2.631 50 0 BFAARN CC(C)C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000006306610 166731483 /nfs/dbraw/zinc/73/14/83/166731483.db2.gz ZNRXBFJMDLPMSM-UHFFFAOYSA-N 0 0 247.323 2.800 50 0 BFAARN CC(C)CC(=O)NCCc1ccc(F)cc1 ZINC000001457083 166765228 /nfs/dbraw/zinc/76/52/28/166765228.db2.gz QUGNQBROAYIBOF-UHFFFAOYSA-N 0 0 223.291 2.531 50 0 BFAARN CC(C)CC(=O)Nc1cccc([C@H](C)O)c1 ZINC000000383830 166773413 /nfs/dbraw/zinc/77/34/13/166773413.db2.gz PDBKPJJINJEZOL-JTQLQIEISA-N 0 0 221.300 2.725 50 0 BFAARN CC(C)CCC(=O)N[C@H](C)Cc1ccco1 ZINC000040510241 166796295 /nfs/dbraw/zinc/79/62/95/166796295.db2.gz ZYNZQCPQCAYDDR-LLVKDONJSA-N 0 0 223.316 2.763 50 0 BFAARN CC(C)CCC(=O)O[C@H](C)CC(C)(C)O ZINC000241720843 166797435 /nfs/dbraw/zinc/79/74/35/166797435.db2.gz QSSSNOFLCMCMMP-SNVBAGLBSA-N 0 0 216.321 2.515 50 0 BFAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccccc1F ZINC000101666227 410785897 /nfs/dbraw/zinc/78/58/97/410785897.db2.gz VUHAHEXRCSWPTM-AOOOYVTPSA-N 0 0 247.269 2.505 50 0 BFAARN CC(C)CCN(C(=O)CC(F)(F)F)C1CC1 ZINC000042768454 166830945 /nfs/dbraw/zinc/83/09/45/166830945.db2.gz DLUGPOBVWNXPPJ-UHFFFAOYSA-N 0 0 237.265 2.976 50 0 BFAARN CC(C)CCNC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000040459564 166854451 /nfs/dbraw/zinc/85/44/51/166854451.db2.gz KCUJGBVBJYSYTB-SECBINFHSA-N 0 0 238.158 2.733 50 0 BFAARN CC(C)CNC(=O)c1cccc(-n2cccc2)c1 ZINC000020901414 166999140 /nfs/dbraw/zinc/99/91/40/166999140.db2.gz HHPGNVGHJQEALH-UHFFFAOYSA-N 0 0 242.322 2.863 50 0 BFAARN CC(C)NC(=O)Cc1ccc(Cl)cc1F ZINC000072436975 167065706 /nfs/dbraw/zinc/06/57/06/167065706.db2.gz PDZPHJXMBMYRQV-UHFFFAOYSA-N 0 0 229.682 2.546 50 0 BFAARN CC(C)NC(=O)NCc1ccc(Cl)cc1 ZINC000012942829 167073408 /nfs/dbraw/zinc/07/34/08/167073408.db2.gz BCKKZFTUJITHHR-UHFFFAOYSA-N 0 0 226.707 2.548 50 0 BFAARN CC(C)NC(=O)[C@@H](C)SCC1CCCC1 ZINC000097138553 167081165 /nfs/dbraw/zinc/08/11/65/167081165.db2.gz KIVMQYSFIZBIEJ-SNVBAGLBSA-N 0 0 229.389 2.823 50 0 BFAARN CC(C)NC(=O)c1cccc2c1CCCC2 ZINC000096171105 167089614 /nfs/dbraw/zinc/08/96/14/167089614.db2.gz CNRBPPITRBOFGC-UHFFFAOYSA-N 0 0 217.312 2.704 50 0 BFAARN CC(C)NC(=O)c1ccnc(-c2cccs2)c1 ZINC000065063069 167090824 /nfs/dbraw/zinc/09/08/24/167090824.db2.gz IFNYHCADHMYJPQ-UHFFFAOYSA-N 0 0 246.335 2.948 50 0 BFAARN CC(C)Nc1ccc(Br)cc1N ZINC000026513446 167145410 /nfs/dbraw/zinc/14/54/10/167145410.db2.gz DBDNOAIUXOODNH-UHFFFAOYSA-N 0 0 229.121 2.852 50 0 BFAARN CCN(CC)CP1(=O)OCC(C)(C)CO1 ZINC000022016500 169785123 /nfs/dbraw/zinc/78/51/23/169785123.db2.gz AMJULCVFOUJNSE-UHFFFAOYSA-N 0 0 235.264 2.552 50 0 BFAARN CCN1c2ccccc2/C(=C2/CCCCN2)C1=O ZINC000104036040 410921991 /nfs/dbraw/zinc/92/19/91/410921991.db2.gz RQXPVBSEKVFCEX-WYMLVPIESA-N 0 0 242.322 2.538 50 0 BFAARN CC(C)[C@@H]1CC(=O)CCN1C(=O)OC(C)(C)C ZINC000016125321 167466100 /nfs/dbraw/zinc/46/61/00/167466100.db2.gz GEHRUAIXGSWYPC-NSHDSACASA-N 0 0 241.331 2.611 50 0 BFAARN CC(C)c1nc(CSC2CCOCC2)no1 ZINC000095975020 167667275 /nfs/dbraw/zinc/66/72/75/167667275.db2.gz VYLMYYGUNZWXKD-UHFFFAOYSA-N 0 0 242.344 2.605 50 0 BFAARN c1ccc2c(c1)nncc2NC1CCCC1 ZINC000046087266 411157480 /nfs/dbraw/zinc/15/74/80/411157480.db2.gz DEEDLVIWSMQTGC-UHFFFAOYSA-N 0 0 213.284 2.984 50 0 BFAARN CC(C)c1nc2ccc(NC(N)=O)cc2s1 ZINC000066979912 167680431 /nfs/dbraw/zinc/68/04/31/167680431.db2.gz LLVABPODUXAGKT-UHFFFAOYSA-N 0 0 235.312 2.910 50 0 BFAARN Cc1nnc(-c2cc(N)cc(C(F)(F)F)c2)o1 ZINC000218165005 411185052 /nfs/dbraw/zinc/18/50/52/411185052.db2.gz WWLWPZUVLINCFP-UHFFFAOYSA-N 0 0 243.188 2.646 50 0 BFAARN CCN(C(=O)NC1CC1)[C@@H](C)c1cccc(O)c1 ZINC000049127408 411225117 /nfs/dbraw/zinc/22/51/17/411225117.db2.gz WCMDAFVCOHNGLJ-JTQLQIEISA-N 0 0 248.326 2.647 50 0 BFAARN CC(C)N(Cc1ccccc1)C(=O)C1CC1 ZINC000054531708 411227627 /nfs/dbraw/zinc/22/76/27/411227627.db2.gz CHNOSTUZDJLJQS-UHFFFAOYSA-N 0 0 217.312 2.834 50 0 BFAARN C[C@@H]1CCCCN1C(=O)NOCc1ccccc1 ZINC000049339579 411231642 /nfs/dbraw/zinc/23/16/42/411231642.db2.gz CQINDYWRBYYANL-GFCCVEGCSA-N 0 0 248.326 2.702 50 0 BFAARN CC/C=C(/C)C(=O)N[C@@H](C)c1ccncc1 ZINC000065610143 167827168 /nfs/dbraw/zinc/82/71/68/167827168.db2.gz OTOHBJPCRLPNHV-VQNWOSHQSA-N 0 0 218.300 2.615 50 0 BFAARN Cc1ccc2snc(C(=O)NC(C)C)c2c1 ZINC000064551655 411270539 /nfs/dbraw/zinc/27/05/39/411270539.db2.gz AAIRELFQAKASMN-UHFFFAOYSA-N 0 0 234.324 2.743 50 0 BFAARN CC1C(=O)C(=O)O[C@H]1c1c(F)cccc1Cl ZINC000020421187 168087562 /nfs/dbraw/zinc/08/75/62/168087562.db2.gz IBXNVSVLCYVZSS-SNVBAGLBSA-N 0 0 242.633 2.909 50 0 BFAARN CC1=CC(=O)N(c2ccccc2C(C)(C)C)C1=O ZINC000000103881 168092729 /nfs/dbraw/zinc/09/27/29/168092729.db2.gz KOOQOKPGDKBJLU-UHFFFAOYSA-N 0 0 243.306 2.804 50 0 BFAARN CC1=CC[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2C1 ZINC000100589639 168121340 /nfs/dbraw/zinc/12/13/40/168121340.db2.gz LLSPPAAEVAOBTN-CHWSQXEVSA-N 0 0 247.338 2.660 50 0 BFAARN CC1=N/C(=C/c2ccccc2Cl)C(=O)O1 ZINC000000070597 168132790 /nfs/dbraw/zinc/13/27/90/168132790.db2.gz YLWUTHYVSMAJES-UXBLZVDNSA-N 0 0 221.643 2.656 50 0 BFAARN CC1CCC(N(C)C(=O)c2ccco2)CC1 ZINC000032819178 168157393 /nfs/dbraw/zinc/15/73/93/168157393.db2.gz DKCJYFXMLKJQJW-UHFFFAOYSA-N 0 0 221.300 2.930 50 0 BFAARN CC1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000002810974 168175695 /nfs/dbraw/zinc/17/56/95/168175695.db2.gz BKYGZAZIUWMXGV-UHFFFAOYSA-N 0 0 239.265 2.837 50 0 BFAARN CC1CCN(C(=O)c2ccccc2F)CC1 ZINC000005416749 168175790 /nfs/dbraw/zinc/17/57/90/168175790.db2.gz ZUOUPMRPDVWTSP-UHFFFAOYSA-N 0 0 221.275 2.698 50 0 BFAARN CC1CCN(C(=S)c2ccc(O)cc2)CC1 ZINC000013126746 168177804 /nfs/dbraw/zinc/17/78/04/168177804.db2.gz UKAFKKJTWPITNK-UHFFFAOYSA-N 0 0 235.352 2.800 50 0 BFAARN CC1CCN(CC(=O)c2cccs2)CC1 ZINC000005699485 168179710 /nfs/dbraw/zinc/17/97/10/168179710.db2.gz AXIKEYHTGHVOHD-UHFFFAOYSA-N 0 0 223.341 2.663 50 0 BFAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000021787036 168218192 /nfs/dbraw/zinc/21/81/92/168218192.db2.gz IQRVMTBVEZWZPN-GFCCVEGCSA-N 0 0 243.310 2.636 50 0 BFAARN CCC(=O)N1C[C@H](C)O[C@@H](c2ccc(C)cc2)C1 ZINC000041422266 168226648 /nfs/dbraw/zinc/22/66/48/168226648.db2.gz SHUIKUPBACIPJJ-GXTWGEPZSA-N 0 0 247.338 2.693 50 0 BFAARN CCC(=O)NCCSCc1ccsc1 ZINC000040467723 168230702 /nfs/dbraw/zinc/23/07/02/168230702.db2.gz JNIQLGLLRCXCNE-UHFFFAOYSA-N 0 0 229.370 2.508 50 0 BFAARN CCC(=O)NC[C@H](CC)c1ccccc1 ZINC000060683788 168231312 /nfs/dbraw/zinc/23/13/12/168231312.db2.gz PFOIGHSPUCPDKP-NSHDSACASA-N 0 0 205.301 2.706 50 0 BFAARN CCC(=O)NCc1ccc2c(cc(C)n2C)c1 ZINC000004061452 168233789 /nfs/dbraw/zinc/23/37/89/168233789.db2.gz VWKOYIMZWBZAOJ-UHFFFAOYSA-N 0 0 230.311 2.513 50 0 BFAARN CCC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000006741772 168236315 /nfs/dbraw/zinc/23/63/15/168236315.db2.gz XXVUUDZEPFFANB-JTQLQIEISA-N 0 0 205.301 2.836 50 0 BFAARN CCC(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000058247992 168239888 /nfs/dbraw/zinc/23/98/88/168239888.db2.gz RDLDCXRUHLGFAD-AWEZNQCLSA-N 0 0 235.327 2.919 50 0 BFAARN CCC(=O)Nc1ccc(C)c(NC(=O)C2CC2)c1 ZINC000030830960 168244385 /nfs/dbraw/zinc/24/43/85/168244385.db2.gz BGTIXGJZXNUIME-UHFFFAOYSA-N 0 0 246.310 2.692 50 0 BFAARN CCC(=O)Nc1ccc2c(ccn2CCOC)c1 ZINC000058227921 168245293 /nfs/dbraw/zinc/24/52/93/168245293.db2.gz ZRMYDJXNCQYNKF-UHFFFAOYSA-N 0 0 246.310 2.636 50 0 BFAARN CCC(=O)Nc1cccc(C(=O)N[C@H](C)CC)c1 ZINC000012138788 168245762 /nfs/dbraw/zinc/24/57/62/168245762.db2.gz MGPDHIZPRDIUNZ-SNVBAGLBSA-N 0 0 248.326 2.563 50 0 BFAARN CCC(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000046620085 168246692 /nfs/dbraw/zinc/24/66/92/168246692.db2.gz QGUMVGSVBGNMTF-UHFFFAOYSA-N 0 0 243.266 2.617 50 0 BFAARN CCC(=O)Nc1nnc(-c2cccs2)s1 ZINC000000620320 168248055 /nfs/dbraw/zinc/24/80/55/168248055.db2.gz DACDPYKAARAPCU-UHFFFAOYSA-N 0 0 239.325 2.615 50 0 BFAARN CCC(=O)Nc1nc(-c2cccc(N)c2)cs1 ZINC000012860997 168248394 /nfs/dbraw/zinc/24/83/94/168248394.db2.gz DFCCBSWMMGLBOI-UHFFFAOYSA-N 0 0 247.323 2.741 50 0 BFAARN CCC(=O)Nc1nc2c(cccc2OC)s1 ZINC000040966284 168249093 /nfs/dbraw/zinc/24/90/93/168249093.db2.gz YQQKKMDGTWMMKG-UHFFFAOYSA-N 0 0 236.296 2.653 50 0 BFAARN CCC(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000000486108 168251225 /nfs/dbraw/zinc/25/12/25/168251225.db2.gz XJSPHEYOTZNCFL-UHFFFAOYSA-N 0 0 246.262 2.725 50 0 biogenic BFAARN CCC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000041285192 168253578 /nfs/dbraw/zinc/25/35/78/168253578.db2.gz SDXDPFJADRSXOW-JTQLQIEISA-N 0 0 241.331 2.613 50 0 BFAARN CCC(=O)c1cc(Br)ccc1O ZINC000000158044 168254787 /nfs/dbraw/zinc/25/47/87/168254787.db2.gz NDXLYRKTHTZXRC-UHFFFAOYSA-N 0 0 229.073 2.747 50 0 BFAARN CCC(C)(C)NC(=O)CCc1ccc(OC)cc1 ZINC000042140083 168287640 /nfs/dbraw/zinc/28/76/40/168287640.db2.gz WOTRFXZJUUJMOX-UHFFFAOYSA-N 0 0 249.354 2.933 50 0 BFAARN CCC(C)(C)NC(=O)COc1ccccc1F ZINC000041864316 168291261 /nfs/dbraw/zinc/29/12/61/168291261.db2.gz WPGKINWGQRQYQX-UHFFFAOYSA-N 0 0 239.290 2.509 50 0 BFAARN CCC(C)(C)NC(=O)c1ccc(N(C)C)cc1 ZINC000003388753 168296203 /nfs/dbraw/zinc/29/62/03/168296203.db2.gz DFQHBXPUYNCKOI-UHFFFAOYSA-N 0 0 234.343 2.671 50 0 BFAARN CCC(C)(C)OC(=O)c1ccnn1C(C)C ZINC000097049075 168302659 /nfs/dbraw/zinc/30/26/59/168302659.db2.gz PEKLEUULJSVYMV-UHFFFAOYSA-N 0 0 224.304 2.809 50 0 BFAARN Cc1cc(C)c2c(=O)cc(C(F)(F)F)oc2n1 ZINC000001123028 411401216 /nfs/dbraw/zinc/40/12/16/411401216.db2.gz KDJHPFVIODTZQU-UHFFFAOYSA-N 0 0 243.184 2.824 50 0 BFAARN C[C@@]1(F)CCN(C(=O)Nc2ccsc2)C1 ZINC000336615141 411498640 /nfs/dbraw/zinc/49/86/40/411498640.db2.gz UHAVIFGHSHJMPY-SNVBAGLBSA-N 0 0 228.292 2.714 50 0 BFAARN CCNC(=O)N(CC1CC1)C1CCCCC1 ZINC000069719591 170072750 /nfs/dbraw/zinc/07/27/50/170072750.db2.gz MORGQVLZLSHUOK-UHFFFAOYSA-N 0 0 224.348 2.761 50 0 BFAARN CCNC(=O)N1CCC[C@H]1c1cccc(C)c1 ZINC000048650992 170073490 /nfs/dbraw/zinc/07/34/90/170073490.db2.gz SSAHTJLWFCAMKJ-ZDUSSCGKSA-N 0 0 232.327 2.861 50 0 BFAARN CCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000000281521 170096439 /nfs/dbraw/zinc/09/64/39/170096439.db2.gz ZCCYGQFGOGPHOD-QMMMGPOBSA-N 0 0 243.759 2.957 50 0 BFAARN CCNC(=O)[C@H](Cc1ccccc1)C(C)C ZINC000096416400 170097564 /nfs/dbraw/zinc/09/75/64/170097564.db2.gz WJZDBABZFUMBFK-CYBMUJFWSA-N 0 0 219.328 2.637 50 0 BFAARN CCNC(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000069371846 170099208 /nfs/dbraw/zinc/09/92/08/170099208.db2.gz ZZSBSWVJZZPPQC-CQSZACIVSA-N 0 0 247.338 2.823 50 0 BFAARN CCNC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000064355041 170099880 /nfs/dbraw/zinc/09/98/80/170099880.db2.gz VVGJBRRKTLLFPW-UHFFFAOYSA-N 0 0 222.675 2.571 50 0 BFAARN CCNC(=S)N1CCCC[C@H]1c1cccnc1 ZINC000000240137 170104950 /nfs/dbraw/zinc/10/49/50/170104950.db2.gz QEMLEJSHYKWWAX-LBPRGKRZSA-N 0 0 249.383 2.503 50 0 biogenic BFAARN CCNC(=S)Nc1ccc(C)c(Cl)c1 ZINC000008684154 170106549 /nfs/dbraw/zinc/10/65/49/170106549.db2.gz KUKNMQKLVUYWTG-UHFFFAOYSA-N 0 0 228.748 2.955 50 0 BFAARN CCNc1nc(-c2ccc(O)cc2O)cs1 ZINC000009503893 170175635 /nfs/dbraw/zinc/17/56/35/170175635.db2.gz QFCHDRQTJUTDBC-UHFFFAOYSA-N 0 0 236.296 2.653 50 0 BFAARN CCOC(=O)C=C(C)Nc1ccc(OC)cc1 ZINC000018252320 170182751 /nfs/dbraw/zinc/18/27/51/170182751.db2.gz VCDKJCZDQCVIMW-KTKRTIGZSA-N 0 0 235.283 2.574 50 0 BFAARN CCOC(=O)/C=C(\C)c1ccc(F)cc1 ZINC000004105413 170182819 /nfs/dbraw/zinc/18/28/19/170182819.db2.gz ZGPVSBPPWZFTLU-CMDGGOBGSA-N 0 0 208.232 2.792 50 0 BFAARN CCOC(=O)C(=O)c1ccc(SCC)cc1 ZINC000043209613 170184582 /nfs/dbraw/zinc/18/45/82/170184582.db2.gz HTHJFEBXJXKUHL-UHFFFAOYSA-N 0 0 238.308 2.544 50 0 BFAARN CCOC(=O)C(=O)c1c(C)c(C)cc(C)c1C ZINC000041262675 170184791 /nfs/dbraw/zinc/18/47/91/170184791.db2.gz MRJZGHITZJHRKD-UHFFFAOYSA-N 0 0 234.295 2.666 50 0 BFAARN CCOC(=O)C(C)(C)Oc1ccccc1C ZINC000001460004 170188208 /nfs/dbraw/zinc/18/82/08/170188208.db2.gz YUVHMMTUCXQBTB-UHFFFAOYSA-N 0 0 222.284 2.716 50 0 BFAARN CCOC(=O)CCC(=O)c1ccc(Cl)s1 ZINC000043214428 170198517 /nfs/dbraw/zinc/19/85/17/170198517.db2.gz QJTDCLHXLRTBME-UHFFFAOYSA-N 0 0 246.715 2.928 50 0 BFAARN CCOC(=O)CCCC(=O)c1ccccc1C ZINC000002378872 170198537 /nfs/dbraw/zinc/19/85/37/170198537.db2.gz YKQSQPIRAFTQAC-UHFFFAOYSA-N 0 0 234.295 2.911 50 0 BFAARN CCOC(=O)CCC(=O)c1ccccc1Cl ZINC000002518028 170198972 /nfs/dbraw/zinc/19/89/72/170198972.db2.gz XWWKROHSVASWEY-UHFFFAOYSA-N 0 0 240.686 2.866 50 0 BFAARN CCOC(=O)CCCCSc1ccccn1 ZINC000078868959 170199740 /nfs/dbraw/zinc/19/97/40/170199740.db2.gz JKBLOWODDIGDBN-UHFFFAOYSA-N 0 0 239.340 2.907 50 0 BFAARN CCOC(=O)CCc1c[nH]c2ccccc12 ZINC000000407562 170211455 /nfs/dbraw/zinc/21/14/55/170211455.db2.gz ZMGHKYYNDUANOZ-UHFFFAOYSA-N 0 0 217.268 2.664 50 0 BFAARN CCOC(=O)CNc1ccc(Cl)c(Cl)c1 ZINC000000081389 170227203 /nfs/dbraw/zinc/22/72/03/170227203.db2.gz SQYQNTBOBNJCAD-UHFFFAOYSA-N 0 0 248.109 2.968 50 0 BFAARN CCOC(=O)COc1c(Cl)cccc1Cl ZINC000002566680 170228831 /nfs/dbraw/zinc/22/88/31/170228831.db2.gz OKNYKYRPQGNADZ-UHFFFAOYSA-N 0 0 249.093 2.935 50 0 BFAARN CCOC(=O)N[C@H](C)CCc1ccccc1 ZINC000003047768 170243061 /nfs/dbraw/zinc/24/30/61/170243061.db2.gz PUPHKXUBQHWHLD-LLVKDONJSA-N 0 0 221.300 2.754 50 0 BFAARN CCOC(=O)N=c1[nH]c2ccccc2s1 ZINC000000404893 170243778 /nfs/dbraw/zinc/24/37/78/170243778.db2.gz VBEIBBOLUSEKTP-UHFFFAOYSA-N 0 0 222.269 2.865 50 0 BFAARN CCOC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000000145442 170244050 /nfs/dbraw/zinc/24/40/50/170244050.db2.gz NATGJZOFOGCRPP-UHFFFAOYSA-N 0 0 229.663 2.917 50 0 BFAARN CCOC(=O)[C@@H](C(=O)Cc1ccccc1)C(C)C ZINC000038954562 170245113 /nfs/dbraw/zinc/24/51/13/170245113.db2.gz GLMIDTBEENEUNW-CQSZACIVSA-N 0 0 248.322 2.634 50 0 BFAARN CCOC(=O)[C@@H](CC)c1ccc(NC(C)=O)cc1 ZINC000000390535 170251203 /nfs/dbraw/zinc/25/12/03/170251203.db2.gz PLCHXGXAYBEKEN-ZDUSSCGKSA-N 0 0 249.310 2.702 50 0 BFAARN CCOC(=O)[C@H](C)Sc1ccccc1 ZINC000000399791 170268897 /nfs/dbraw/zinc/26/88/97/170268897.db2.gz AFQJVOVRMATZLA-VIFPVBQESA-N 0 0 210.298 2.730 50 0 BFAARN CCOC(=O)[C@H](C)Nc1ccc2ccccc2n1 ZINC000049374336 170269219 /nfs/dbraw/zinc/26/92/19/170269219.db2.gz YIDFBEIKIGRKBU-JTQLQIEISA-N 0 0 244.294 2.598 50 0 BFAARN CCOC(=O)[C@H](CC)Sc1ccncc1 ZINC000087110007 170272905 /nfs/dbraw/zinc/27/29/05/170272905.db2.gz CJFBHMCCFPDPGD-JTQLQIEISA-N 0 0 225.313 2.515 50 0 BFAARN CCOC(=O)[C@H](Cc1ccccc1)n1cccc1 ZINC000001422313 170273878 /nfs/dbraw/zinc/27/38/78/170273878.db2.gz LQEKDQAYDWEVSS-AWEZNQCLSA-N 0 0 243.306 2.835 50 0 BFAARN CCOC(=O)[C@H]1CC=CC[C@@H]1c1cccnc1 ZINC000000165730 170278899 /nfs/dbraw/zinc/27/88/99/170278899.db2.gz ATAHZGDGVWUBCW-OLZOCXBDSA-N 0 0 231.295 2.695 50 0 BFAARN CCOC(=O)[C@H]1CCC[C@@H]1Nc1ccccc1 ZINC000095919673 170280440 /nfs/dbraw/zinc/28/04/40/170280440.db2.gz QGPNXJMZTWTKJY-STQMWFEESA-N 0 0 233.311 2.830 50 0 BFAARN CCOC(=O)[C@]1(Cc2ccccc2)CCCC1=O ZINC000004962164 170285850 /nfs/dbraw/zinc/28/58/50/170285850.db2.gz IKDYNDOAHRZGKH-HNNXBMFYSA-N 0 0 246.306 2.532 50 0 BFAARN CCOC(=O)c1c(F)cc(Cl)cc1F ZINC000044201007 170288462 /nfs/dbraw/zinc/28/84/62/170288462.db2.gz XYUKGBLOCAJQMA-UHFFFAOYSA-N 0 0 220.602 2.795 50 0 BFAARN CCOC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000049588591 170289493 /nfs/dbraw/zinc/28/94/93/170289493.db2.gz RZLGWHAWFSRKRB-UHFFFAOYSA-N 0 0 223.659 2.998 50 0 BFAARN CCOC(=O)c1c[n-]c2[nH+]c(C)ccc2c1=S ZINC000021147364 170289920 /nfs/dbraw/zinc/28/99/20/170289920.db2.gz FIPXJEAWUYZLFH-UHFFFAOYSA-N 0 0 248.307 2.778 50 0 BFAARN CCOC(=O)c1cc(-c2ccsc2)no1 ZINC000000266311 170290983 /nfs/dbraw/zinc/29/09/83/170290983.db2.gz GSAOSUXDPZIFBZ-UHFFFAOYSA-N 0 0 223.253 2.580 50 0 BFAARN CCOC(=O)c1cc(C)oc1C(F)(F)F ZINC000002564952 170291822 /nfs/dbraw/zinc/29/18/22/170291822.db2.gz BXGRWYGEMRIAHC-UHFFFAOYSA-N 0 0 222.162 2.784 50 0 BFAARN CCOC(=O)c1cc(Cl)cc(Cl)c1O ZINC000039234717 170292142 /nfs/dbraw/zinc/29/21/42/170292142.db2.gz SUGDTRDGSCWRGF-UHFFFAOYSA-N 0 0 235.066 2.876 50 0 BFAARN CCOC(=O)c1cc2c(cccc2C)[nH]1 ZINC000026894260 170292695 /nfs/dbraw/zinc/29/26/95/170292695.db2.gz ZUJVXCIAKURESZ-UHFFFAOYSA-N 0 0 203.241 2.653 50 0 BFAARN CCOC(=O)c1cc(OCC)cc(OCC)c1 ZINC000000403459 170292908 /nfs/dbraw/zinc/29/29/08/170292908.db2.gz QILFPIREJVUYJP-UHFFFAOYSA-N 0 0 238.283 2.661 50 0 BFAARN CCOC(=O)c1cc2cc(C(C)=O)ccc2[nH]1 ZINC000005461431 170293739 /nfs/dbraw/zinc/29/37/39/170293739.db2.gz VZMCGCQUHGLKMY-UHFFFAOYSA-N 0 0 231.251 2.547 50 0 BFAARN CCOC(=O)c1cc2cc(OC)ccc2o1 ZINC000002571869 170293764 /nfs/dbraw/zinc/29/37/64/170293764.db2.gz IJCODAOXFYTGBS-UHFFFAOYSA-N 0 0 220.224 2.618 50 0 BFAARN CCOC(=O)c1cc2c(s1)CCCC2 ZINC000012410867 170293782 /nfs/dbraw/zinc/29/37/82/170293782.db2.gz BNSTWYGMSUJOFU-UHFFFAOYSA-N 0 0 210.298 2.804 50 0 BFAARN CCOC(=O)c1cc2cc(C)ccc2[nH]1 ZINC000000129029 170293987 /nfs/dbraw/zinc/29/39/87/170293987.db2.gz KMVFKXFOPNKHEM-UHFFFAOYSA-N 0 0 203.241 2.653 50 0 BFAARN CCOC(=O)c1ccc(-c2ccc(N)nc2)cc1 ZINC000074938266 170294742 /nfs/dbraw/zinc/29/47/42/170294742.db2.gz PVTSDRPHLCKQHO-UHFFFAOYSA-N 0 0 242.278 2.508 50 0 BFAARN CCOC(=O)c1ccc(NC2CCCC2)c(N)c1 ZINC000041079817 170296091 /nfs/dbraw/zinc/29/60/91/170296091.db2.gz FPJFIJRFOVRYNA-UHFFFAOYSA-N 0 0 248.326 2.800 50 0 BFAARN CCOC(=O)c1ccc(F)c(Cl)c1 ZINC000020168686 170296128 /nfs/dbraw/zinc/29/61/28/170296128.db2.gz NYURFOITSAPYLU-UHFFFAOYSA-N 0 0 202.612 2.656 50 0 BFAARN CCOC(=O)c1ccc(Cl)nc1Cl ZINC000026896741 170296289 /nfs/dbraw/zinc/29/62/89/170296289.db2.gz KKYBVLDQTWQETN-UHFFFAOYSA-N 0 0 220.055 2.565 50 0 BFAARN CCOC(=O)c1ccc2cc(F)ccc2c1O ZINC000238853373 170297605 /nfs/dbraw/zinc/29/76/05/170297605.db2.gz JKWASILMZAVHIS-UHFFFAOYSA-N 0 0 234.226 2.861 50 0 BFAARN CCOC(=O)c1ccc2cc(O)ccc2c1 ZINC000015441989 170298203 /nfs/dbraw/zinc/29/82/03/170298203.db2.gz WLJMCRWYIXLKQL-UHFFFAOYSA-N 0 0 216.236 2.722 50 0 BFAARN CCOC(=O)c1ncoc1-c1cccc(OC)c1 ZINC000043304259 170309065 /nfs/dbraw/zinc/30/90/65/170309065.db2.gz JBBPWAYMBOIZNA-UHFFFAOYSA-N 0 0 247.250 2.527 50 0 BFAARN CCOC(=O)c1oc(-c2ccccc2)cc1N ZINC000038580700 170309771 /nfs/dbraw/zinc/30/97/71/170309771.db2.gz BDBLZEDTINOFHA-UHFFFAOYSA-N 0 0 231.251 2.706 50 0 BFAARN CCOC(=O)c1sc(C2CC2)nc1C ZINC000071872684 170310542 /nfs/dbraw/zinc/31/05/42/170310542.db2.gz BMOWAHYIBJQJIU-UHFFFAOYSA-N 0 0 211.286 2.506 50 0 BFAARN CCOC(OCC)c1cc(-c2ccncc2)n[nH]1 ZINC000078210641 170317221 /nfs/dbraw/zinc/31/72/21/170317221.db2.gz FBACWEBHVJNAHM-UHFFFAOYSA-N 0 0 247.298 2.543 50 0 BFAARN CCOCC(=O)N[C@H](C)c1cc(C)ccc1C ZINC000058120235 170347092 /nfs/dbraw/zinc/34/70/92/170347092.db2.gz OMAFAOOSTBIZPM-GFCCVEGCSA-N 0 0 235.327 2.517 50 0 BFAARN CCOCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002734468 170349148 /nfs/dbraw/zinc/34/91/48/170349148.db2.gz MIKDNDGIFRZXSP-UHFFFAOYSA-N 0 0 247.216 2.680 50 0 BFAARN CCOCC(=O)Nc1cccc2ccccc21 ZINC000002069569 170349449 /nfs/dbraw/zinc/34/94/49/170349449.db2.gz AFNDAWBWFWAFMX-UHFFFAOYSA-N 0 0 229.279 2.815 50 0 BFAARN CCOCC(=O)Nc1ccccc1CSC ZINC000097115878 170349522 /nfs/dbraw/zinc/34/95/22/170349522.db2.gz FNJHFYBWSPIHFN-UHFFFAOYSA-N 0 0 239.340 2.525 50 0 BFAARN CCOCC1(CNc2nc(C)nc(C)c2C)CC1 ZINC000091792869 170356633 /nfs/dbraw/zinc/35/66/33/170356633.db2.gz QUHNSSXPWNZSIM-UHFFFAOYSA-N 0 0 249.358 2.630 50 0 BFAARN CCOCCCNC(=O)C[C@@H](C)c1ccccc1 ZINC000005592887 170377428 /nfs/dbraw/zinc/37/74/28/170377428.db2.gz UGODKSAYLQRABA-CYBMUJFWSA-N 0 0 249.354 2.723 50 0 BFAARN CCOCCCNc1cccc(Cl)n1 ZINC000042784012 170384107 /nfs/dbraw/zinc/38/41/07/170384107.db2.gz QBKSAWLGRWGXOQ-UHFFFAOYSA-N 0 0 214.696 2.574 50 0 BFAARN CCOc1ccc(-c2nc(CO)c(C)o2)cc1 ZINC000021924402 170533316 /nfs/dbraw/zinc/53/33/16/170533316.db2.gz RRZLWULXIGONOW-UHFFFAOYSA-N 0 0 233.267 2.541 50 0 BFAARN CCOc1ccc(C(F)(F)F)cc1N ZINC000001058636 170539940 /nfs/dbraw/zinc/53/99/40/170539940.db2.gz LIQQEMLFIDADRH-UHFFFAOYSA-N 0 0 205.179 2.686 50 0 BFAARN CCOc1ccc([C@@H]2NC(=O)CS2)cc1 ZINC000039299086 170560919 /nfs/dbraw/zinc/56/09/19/170560919.db2.gz WXYBSYQAMHXTCK-LLVKDONJSA-N 0 0 223.297 2.787 50 0 BFAARN CCS[C@H]1CCN(c2ccccc2)C1=O ZINC000068953467 170652811 /nfs/dbraw/zinc/65/28/11/170652811.db2.gz HNMUEQPVBKCXNW-NSHDSACASA-N 0 0 221.325 2.545 50 0 BFAARN CCSc1nncc(-c2ccccc2)n1 ZINC000000244702 170658574 /nfs/dbraw/zinc/65/85/74/170658574.db2.gz ZXMIHSRBAJCBPP-UHFFFAOYSA-N 0 0 217.297 2.651 50 0 BFAARN CC[C@@H](C)C(=O)NC[C@H](OC)c1ccccc1 ZINC000042751155 170681350 /nfs/dbraw/zinc/68/13/50/170681350.db2.gz PTKOUHHFMXRAAI-YPMHNXCESA-N 0 0 235.327 2.536 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1ccc(F)cc1F ZINC000009256321 170744593 /nfs/dbraw/zinc/74/45/93/170744593.db2.gz FNUAIGNNXOOZJC-SSDOTTSWSA-N 0 0 228.242 2.885 50 0 BFAARN CC[C@@H](C)n1cnc(-c2ccccc2)cc1=O ZINC000038518035 170809824 /nfs/dbraw/zinc/80/98/24/170809824.db2.gz KGJHCKSMWSKXNC-LLVKDONJSA-N 0 0 228.295 2.881 50 0 BFAARN CC[C@@H](NC(=O)C1CC1)c1ccc(C)cc1 ZINC000006728663 170875618 /nfs/dbraw/zinc/87/56/18/170875618.db2.gz BJOXZJQBAZPZHS-CYBMUJFWSA-N 0 0 217.312 2.972 50 0 BFAARN CC[C@@H](O)c1ccc(Br)cc1 ZINC000000394600 170938296 /nfs/dbraw/zinc/93/82/96/170938296.db2.gz QLMFTKHAIDWIDC-SECBINFHSA-N 0 0 215.090 2.893 50 0 BFAARN CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)C ZINC000044901434 170946605 /nfs/dbraw/zinc/94/66/05/170946605.db2.gz RXFKXTNIEFJTKW-SNVBAGLBSA-N 0 0 241.718 2.586 50 0 BFAARN CC[C@@H]1CCCCCN1C(=O)[C@H]1CCCOC1 ZINC000089948271 170960950 /nfs/dbraw/zinc/96/09/50/170960950.db2.gz JAZYCAXUYWLUOE-QWHCGFSZSA-N 0 0 239.359 2.594 50 0 BFAARN CC[C@@H]1CCc2c(sc(N)c2C(=O)OC)C1 ZINC000000184336 171060964 /nfs/dbraw/zinc/06/09/64/171060964.db2.gz OAGCBMZNJLDSNV-SSDOTTSWSA-N 0 0 239.340 2.632 50 0 BFAARN CC[C@@H]1c2ccsc2CCN1C(=O)C1CC1 ZINC000040467700 171161926 /nfs/dbraw/zinc/16/19/26/171161926.db2.gz LWWGJDQTSHLWIN-LLVKDONJSA-N 0 0 235.352 2.994 50 0 BFAARN CC[C@@](O)(c1ccccc1)c1ccccn1 ZINC000001620959 171195238 /nfs/dbraw/zinc/19/52/38/171195238.db2.gz WZNNOTSNAIGFJA-CQSZACIVSA-N 0 0 213.280 2.728 50 0 BFAARN CC[C@@]1(O)c2ccccc2-c2ncccc21 ZINC000000499672 171215061 /nfs/dbraw/zinc/21/50/61/171215061.db2.gz ZGZXMNRYVIGLJN-CQSZACIVSA-N 0 0 211.264 2.708 50 0 BFAARN CC[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1 ZINC000035237909 171235550 /nfs/dbraw/zinc/23/55/50/171235550.db2.gz WGYQUVQERWJQEQ-LBPRGKRZSA-N 0 0 229.283 2.542 50 0 BFAARN CC[C@H](C)C(=O)N1CCc2ccccc21 ZINC000005664960 171248980 /nfs/dbraw/zinc/24/89/80/171248980.db2.gz BFCOYJRKVRCWMC-JTQLQIEISA-N 0 0 203.285 2.622 50 0 BFAARN CC[C@H](C)C(=O)N[C@@H](C)CCc1ccco1 ZINC000041975738 171252977 /nfs/dbraw/zinc/25/29/77/171252977.db2.gz VSSCUFZFKBMHMI-QWRGUYRKSA-N 0 0 223.316 2.763 50 0 BFAARN CC[C@H](C)C(=O)N[C@H](C)Cc1cccs1 ZINC000069413860 171253976 /nfs/dbraw/zinc/25/39/76/171253976.db2.gz HVRGWWISBYQUMV-VHSXEESVSA-N 0 0 225.357 2.841 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000058264740 171255738 /nfs/dbraw/zinc/25/57/38/171255738.db2.gz PKKREJRESFEXFB-NSHDSACASA-N 0 0 247.342 2.666 50 0 BFAARN CC[C@H](C)N(C(=O)[C@H]1CCCO1)[C@@H](C)CC ZINC000000476576 171301484 /nfs/dbraw/zinc/30/14/84/171301484.db2.gz NUNUDSKUPNYYGR-SDDRHHMPSA-N 0 0 227.348 2.591 50 0 BFAARN CC[C@H](C)NC(=O)Nc1c(C)cccc1OC ZINC000195038386 171329866 /nfs/dbraw/zinc/32/98/66/171329866.db2.gz MTEGMDNEMIQAQB-JTQLQIEISA-N 0 0 236.315 2.924 50 0 BFAARN CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000013746403 171329955 /nfs/dbraw/zinc/32/99/55/171329955.db2.gz QXEBSCYDVKOQAI-UWVGGRQHSA-N 0 0 238.306 2.984 50 0 BFAARN CC[C@H](C)NC(=O)Nc1cccc(NC(C)=O)c1 ZINC000032862251 171330845 /nfs/dbraw/zinc/33/08/45/171330845.db2.gz WVIBAVOFIHSHQC-VIFPVBQESA-N 0 0 249.314 2.565 50 0 BFAARN CC[C@H](C)NC(=O)[C@@H](C)Oc1cc(C)ccc1C ZINC000013710108 171332242 /nfs/dbraw/zinc/33/22/42/171332242.db2.gz DIKWMGQSLHGBDL-QWHCGFSZSA-N 0 0 249.354 2.985 50 0 BFAARN CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000013001589 171335444 /nfs/dbraw/zinc/33/54/44/171335444.db2.gz AORSHQLOSLDSTP-RYUDHWBXSA-N 0 0 235.327 2.677 50 0 BFAARN CC[C@H](C)NC(=O)[C@H]1Cc2ccccc2S1 ZINC000012894328 171335858 /nfs/dbraw/zinc/33/58/58/171335858.db2.gz ZWLUHHNAQOLHGM-JOYOIKCWSA-N 0 0 235.352 2.618 50 0 BFAARN CC[C@H](C)NC(=O)c1cc(C(C)C)nn1CC ZINC000040505573 171336135 /nfs/dbraw/zinc/33/61/35/171336135.db2.gz NSVWMUYGINTZMM-JTQLQIEISA-N 0 0 237.347 2.555 50 0 BFAARN CC[C@H](C)Nc1cccc([S@@](C)=O)c1 ZINC000097232080 171350486 /nfs/dbraw/zinc/35/04/86/171350486.db2.gz QKMSWBPTRZAAAC-XPTSAGLGSA-N 0 0 211.330 2.634 50 0 BFAARN CC[C@H](C)[C@@H](C)NC(=O)c1cccc(OC)c1 ZINC000048309520 171364097 /nfs/dbraw/zinc/36/40/97/171364097.db2.gz VIGYEJISJWFCLU-WDEREUQCSA-N 0 0 235.327 2.860 50 0 BFAARN CC[C@H](C)c1ccccc1NC(=O)COC ZINC000000860097 171412713 /nfs/dbraw/zinc/41/27/13/171412713.db2.gz MMTDCPLVFOSBLJ-JTQLQIEISA-N 0 0 221.300 2.785 50 0 BFAARN CC[C@H](Nc1cccc(C)c1C)C(=O)OC ZINC000040019933 171551669 /nfs/dbraw/zinc/55/16/69/171551669.db2.gz TWIRCMCEIGPLTK-NSHDSACASA-N 0 0 221.300 2.667 50 0 BFAARN CC[C@]1(C(C)C)NC(=S)N(c2ccccc2)N1 ZINC000001249012 171711772 /nfs/dbraw/zinc/71/17/72/171711772.db2.gz QDQJJZJCJSEBMJ-ZDUSSCGKSA-N 0 0 249.383 2.648 50 0 BFAARN CC[S@@](=O)c1cccc(Br)c1 ZINC000074937760 171730198 /nfs/dbraw/zinc/73/01/98/171730198.db2.gz KTAYYVGVOVUOOL-NSHDSACASA-N 0 0 233.130 2.577 50 0 BFAARN CCc1c(C)sc(N)c1C(=O)OC(C)C ZINC000002573213 171742261 /nfs/dbraw/zinc/74/22/61/171742261.db2.gz WSBAKYOLBSFUPB-UHFFFAOYSA-N 0 0 227.329 2.766 50 0 BFAARN CCc1cc(=O)oc2cc(C)cc(OC(C)=O)c12 ZINC000004387698 171748836 /nfs/dbraw/zinc/74/88/36/171748836.db2.gz UBBDMTJGLKICNY-UHFFFAOYSA-N 0 0 246.262 2.589 50 0 BFAARN CCc1ccc(C(=O)Nc2nccs2)o1 ZINC000036391406 171787238 /nfs/dbraw/zinc/78/72/38/171787238.db2.gz MPFPGNDGISIELY-UHFFFAOYSA-N 0 0 222.269 2.551 50 0 BFAARN CCc1cccc(C)c1NC(=O)c1cnn(C)c1 ZINC000032768045 171854100 /nfs/dbraw/zinc/85/41/00/171854100.db2.gz IGLKRHQYFZYZJE-UHFFFAOYSA-N 0 0 243.310 2.543 50 0 BFAARN CCc1nc(C)ncc1C(=O)N[C@@H](C)C(C)(C)C ZINC000096486744 171966348 /nfs/dbraw/zinc/96/63/48/171966348.db2.gz AYNSAHCLZPULCM-VIFPVBQESA-N 0 0 249.358 2.512 50 0 BFAARN CCc1nccn1Cc1ccccc1F ZINC000095394118 172028050 /nfs/dbraw/zinc/02/80/50/172028050.db2.gz NUHLZNKPCTXUFA-UHFFFAOYSA-N 0 0 204.248 2.633 50 0 BFAARN CCc1ncnc(N[C@@H](C)c2ccncc2)c1F ZINC000194963567 172033513 /nfs/dbraw/zinc/03/35/13/172033513.db2.gz RUUDLWOBQNXOHH-VIFPVBQESA-N 0 0 246.289 2.746 50 0 BFAARN CCc1nnc(Nc2cccc(F)c2)s1 ZINC000032648043 172062388 /nfs/dbraw/zinc/06/23/88/172062388.db2.gz USFYBIXDTUWOEV-UHFFFAOYSA-N 0 0 223.276 2.983 50 0 BFAARN CCc1nnc2sc(/C=C\c3ccco3)nn12 ZINC000097466822 172068752 /nfs/dbraw/zinc/06/87/52/172068752.db2.gz ZPRZTALEHAAFID-WAYWQWQTSA-N 0 0 246.295 2.512 50 0 BFAARN CCc1nnc2sc(-c3cccc(F)c3)nn12 ZINC000004487459 172069054 /nfs/dbraw/zinc/06/90/54/172069054.db2.gz QMRRXKPHVJHSAZ-UHFFFAOYSA-N 0 0 248.286 2.554 50 0 BFAARN CCc1noc(C)c1C(=O)N1CC=C[C@H]1C(C)C ZINC000097823650 172074015 /nfs/dbraw/zinc/07/40/15/172074015.db2.gz MYHNZZJWKKOSSI-LBPRGKRZSA-N 0 0 248.326 2.582 50 0 BFAARN CCc1noc(C)c1NC(=O)OC(C)(C)C ZINC000083255299 172081618 /nfs/dbraw/zinc/08/16/18/172081618.db2.gz XNLXAFGKZVZBBI-UHFFFAOYSA-N 0 0 226.276 2.892 50 0 BFAARN CCc1noc([C@H](C)N(C)Cc2ccoc2C)n1 ZINC000055082779 172091284 /nfs/dbraw/zinc/09/12/84/172091284.db2.gz XJMJNKRMCCSBMN-VIFPVBQESA-N 0 0 249.314 2.726 50 0 BFAARN CCc1noc2nc(C)nc(NC3CCCC3)c12 ZINC000035479107 172093375 /nfs/dbraw/zinc/09/33/75/172093375.db2.gz RBXZIOVCRDKAOC-UHFFFAOYSA-N 0 0 246.314 2.843 50 0 BFAARN CCc1sc(N)nc1-c1ccc(OC)cc1 ZINC000000350026 172129281 /nfs/dbraw/zinc/12/92/81/172129281.db2.gz QHRCVGXBBIRPTE-UHFFFAOYSA-N 0 0 234.324 2.963 50 0 in-vitro BFAARN CCc1sc(N)nc1-c1ccccc1 ZINC000017005272 172129898 /nfs/dbraw/zinc/12/98/98/172129898.db2.gz JPFFDVPXYBZEPP-UHFFFAOYSA-N 0 0 204.298 2.955 50 0 BFAARN CCn1c2cc(F)ccc2nc1-c1ccnn1C ZINC000096499990 172130183 /nfs/dbraw/zinc/13/01/83/172130183.db2.gz ZLKNRVYUSZIRMR-UHFFFAOYSA-N 0 0 244.273 2.596 50 0 BFAARN CCn1c(C)c(C(N)=O)cc1-c1ccccc1 ZINC000064551470 172130190 /nfs/dbraw/zinc/13/01/90/172130190.db2.gz SFWAJQHXJHMDKK-UHFFFAOYSA-N 0 0 228.295 2.582 50 0 BFAARN CCn1c(=S)[nH]nc1-c1ccc(C)cc1 ZINC000000314309 172131269 /nfs/dbraw/zinc/13/12/69/172131269.db2.gz NEUNTOCSKRVRJI-UHFFFAOYSA-N 0 0 219.313 2.936 50 0 BFAARN CCn1cc(COc2ccc(N)cc2F)c(C)n1 ZINC000020352196 172177042 /nfs/dbraw/zinc/17/70/42/172177042.db2.gz WLHFSVBNPCWFIB-UHFFFAOYSA-N 0 0 249.289 2.512 50 0 BFAARN CCn1cc(NC(=O)c2sccc2C)cn1 ZINC000069349772 172184008 /nfs/dbraw/zinc/18/40/08/172184008.db2.gz JXUOMOUEJASYPL-UHFFFAOYSA-N 0 0 235.312 2.525 50 0 BFAARN CCn1ccnc1[C@H](O)CCc1ccccc1 ZINC000069496721 172230919 /nfs/dbraw/zinc/23/09/19/172230919.db2.gz VONKBAVUYUMSHF-CYBMUJFWSA-N 0 0 230.311 2.569 50 0 BFAARN CCn1ncc(C(=O)Nc2ccccc2C)c1C ZINC000000371512 172253943 /nfs/dbraw/zinc/25/39/43/172253943.db2.gz ALMDYQAKRSKCCA-UHFFFAOYSA-N 0 0 243.310 2.772 50 0 BFAARN CN(C(=O)C1CCC1)[C@@H]1CCc2ccccc21 ZINC000032905286 172298767 /nfs/dbraw/zinc/29/87/67/172298767.db2.gz SOADSGSCZNRCGW-CQSZACIVSA-N 0 0 229.323 2.932 50 0 BFAARN CN(C(=O)CC[C@H]1CCCO1)C1CCCCC1 ZINC000040505788 172305646 /nfs/dbraw/zinc/30/56/46/172305646.db2.gz VKRHBOIOHICIEX-CYBMUJFWSA-N 0 0 239.359 2.737 50 0 BFAARN CN(C(=O)NC[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000096406270 172320093 /nfs/dbraw/zinc/32/00/93/172320093.db2.gz JVOYSBMXQWTRLV-TZMCWYRMSA-N 0 0 244.338 2.594 50 0 BFAARN CN(C)C(=O)CSCc1ccc(Cl)s1 ZINC000045288657 172374737 /nfs/dbraw/zinc/37/47/37/172374737.db2.gz IXUOTKUCWRPUDK-UHFFFAOYSA-N 0 0 249.788 2.723 50 0 BFAARN CN(C)C(=O)Cc1c(Cl)cccc1Cl ZINC000047651530 172375524 /nfs/dbraw/zinc/37/55/24/172375524.db2.gz ASVPNKUZIMUZKZ-UHFFFAOYSA-N 0 0 232.110 2.624 50 0 BFAARN CN(C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000009336238 172382510 /nfs/dbraw/zinc/38/25/10/172382510.db2.gz CMPCUUOFVHRVBY-UHFFFAOYSA-N 0 0 239.275 2.529 50 0 BFAARN CN(C)C(=O)c1cccc(-c2ccc(N)cc2)c1 ZINC000074937783 172391434 /nfs/dbraw/zinc/39/14/34/172391434.db2.gz WHDYNEJPKZVKCF-UHFFFAOYSA-N 0 0 240.306 2.638 50 0 BFAARN CN(C)C(=S)SCc1ccccc1 ZINC000000389784 172393536 /nfs/dbraw/zinc/39/35/36/172393536.db2.gz HLZBIKHKXIJIHX-UHFFFAOYSA-N 0 0 211.355 2.766 50 0 BFAARN CN(CC1CCCCC1)C(=O)c1ccco1 ZINC000032753012 172660008 /nfs/dbraw/zinc/66/00/08/172660008.db2.gz FOKQYEWBCCCGLD-UHFFFAOYSA-N 0 0 221.300 2.932 50 0 BFAARN CN(CCOCC1CC1)C(=O)Nc1ccccc1 ZINC000086991745 172764250 /nfs/dbraw/zinc/76/42/50/172764250.db2.gz DLIAMHZSTPCRGP-UHFFFAOYSA-N 0 0 248.326 2.577 50 0 BFAARN CN(CCc1ccccn1)c1ccc(Cl)cn1 ZINC000089346488 172786089 /nfs/dbraw/zinc/78/60/89/172786089.db2.gz UDODXQGMKUWXBW-UHFFFAOYSA-N 0 0 247.729 2.809 50 0 BFAARN CN(Cc1cccc(F)c1)C(=O)c1ccoc1 ZINC000012987306 172861849 /nfs/dbraw/zinc/86/18/49/172861849.db2.gz BXWQQAADAPIBST-UHFFFAOYSA-N 0 0 233.242 2.691 50 0 BFAARN CN(Cc1ccccc1)C(=O)C1CCCC1 ZINC000012979452 172867496 /nfs/dbraw/zinc/86/74/96/172867496.db2.gz SJDFKTSVUAHCAG-UHFFFAOYSA-N 0 0 217.312 2.835 50 0 BFAARN CNC(=O)CCCSc1ccc(Cl)cc1 ZINC000034234859 173243941 /nfs/dbraw/zinc/24/39/41/173243941.db2.gz ZFPHBEAPZLQTJM-UHFFFAOYSA-N 0 0 243.759 2.958 50 0 BFAARN CNC(=O)COc1ccc(Cl)c2ccccc12 ZINC000006642948 173279435 /nfs/dbraw/zinc/27/94/35/173279435.db2.gz LKTDDOZXTVJUBV-UHFFFAOYSA-N 0 0 249.697 2.618 50 0 BFAARN CNC(=O)N1CCC(=Cc2ccccc2)CC1 ZINC000089386310 173284636 /nfs/dbraw/zinc/28/46/36/173284636.db2.gz QMMYRXCIJQIOGF-UHFFFAOYSA-N 0 0 230.311 2.505 50 0 BFAARN CNC(=O)Oc1ccc2ccccc2c1 ZINC000000398393 173293269 /nfs/dbraw/zinc/29/32/69/173293269.db2.gz RLEPUHXXMVRJDI-UHFFFAOYSA-N 0 0 201.225 2.558 50 0 BFAARN CNC(=O)Oc1ccc(C(C)(C)C)cc1 ZINC000000410316 173293390 /nfs/dbraw/zinc/29/33/90/173293390.db2.gz SQWINKDZQCVJNM-UHFFFAOYSA-N 0 0 207.273 2.702 50 0 BFAARN CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000089385839 173300037 /nfs/dbraw/zinc/30/00/37/173300037.db2.gz WIGOYGLWPDYVGT-RKDXNWHRSA-N 0 0 244.121 2.843 50 0 BFAARN CNC(=O)[C@H](C)SCc1cccc(Cl)c1 ZINC000059830826 173304316 /nfs/dbraw/zinc/30/43/16/173304316.db2.gz MRBVHURACBWVOH-QMMMGPOBSA-N 0 0 243.759 2.708 50 0 BFAARN CNC(=O)[C@H](C)Sc1ccccc1Cl ZINC000039982340 173304339 /nfs/dbraw/zinc/30/43/39/173304339.db2.gz GQOYWHNFLQNMSV-ZETCQYMHSA-N 0 0 229.732 2.567 50 0 BFAARN CNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000012027748 173304462 /nfs/dbraw/zinc/30/44/62/173304462.db2.gz NBHUHIDFSMVHQJ-LLVKDONJSA-N 0 0 219.328 2.735 50 0 BFAARN CNC(=O)c1ccc(-c2ccccc2)s1 ZINC000005525933 173310146 /nfs/dbraw/zinc/31/01/46/173310146.db2.gz URCCNXYQSTUSNL-UHFFFAOYSA-N 0 0 217.293 2.775 50 0 BFAARN CNC(=O)c1cccc(-c2ccc(O)c(C)c2)c1 ZINC000065340459 173311548 /nfs/dbraw/zinc/31/15/48/173311548.db2.gz ONUQUZSJRGABNW-UHFFFAOYSA-N 0 0 241.290 2.727 50 0 BFAARN CNC(=O)c1sc(-c2ccc(C)cc2)nc1C ZINC000006671415 173315076 /nfs/dbraw/zinc/31/50/76/173315076.db2.gz JRCIUWVRQVJBDS-UHFFFAOYSA-N 0 0 246.335 2.787 50 0 BFAARN CNC(=S)Nc1cc(C)c(Cl)cc1OC ZINC000003251632 173316521 /nfs/dbraw/zinc/31/65/21/173316521.db2.gz GFTQSFKZBVQMFF-UHFFFAOYSA-N 0 0 244.747 2.573 50 0 BFAARN CNC(=S)Nc1cccc2ccccc21 ZINC000002946611 173317074 /nfs/dbraw/zinc/31/70/74/173317074.db2.gz VNYCNEZSUHRXMT-UHFFFAOYSA-N 0 0 216.309 2.756 50 0 BFAARN CNc1ccc(-c2nc3ncccc3o2)cc1 ZINC000082540052 173475412 /nfs/dbraw/zinc/47/54/12/173475412.db2.gz NNABINKRGOMAQF-UHFFFAOYSA-N 0 0 225.251 2.932 50 0 BFAARN CNc1ccc(OC(F)(F)Cl)cc1 ZINC000001075962 173480150 /nfs/dbraw/zinc/48/01/50/173480150.db2.gz QCGPOSZVNYECRG-UHFFFAOYSA-N 0 0 207.607 2.896 50 0 BFAARN COC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000006824113 173693935 /nfs/dbraw/zinc/69/39/35/173693935.db2.gz VLOZEQCBXBDHME-ZCFIWIBFSA-N 0 0 249.093 2.934 50 0 BFAARN COC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000000967844 173789485 /nfs/dbraw/zinc/78/94/85/173789485.db2.gz XPUKIATWMAOOFP-JTQLQIEISA-N 0 0 230.263 2.780 50 0 in-vitro BFAARN COC(=O)[C@H](C)SC(=S)c1ccccc1 ZINC000086012997 173789733 /nfs/dbraw/zinc/78/97/33/173789733.db2.gz WPFPXUQEUXJYHU-QMMMGPOBSA-N 0 0 240.349 2.657 50 0 BFAARN COC(=O)c1cc(-c2ccccc2)ccn1 ZINC000071255663 173847423 /nfs/dbraw/zinc/84/74/23/173847423.db2.gz YXRDMGUQHSRTEQ-UHFFFAOYSA-N 0 0 213.236 2.535 50 0 BFAARN COC(=O)c1ccccc1-c1ccccc1C=O ZINC000001570747 173898672 /nfs/dbraw/zinc/89/86/72/173898672.db2.gz RGAKSWUMKFLWCI-UHFFFAOYSA-N 0 0 240.258 2.953 50 0 BFAARN COC(=O)c1oncc1-c1ccc(Cl)cc1 ZINC000038537206 173922244 /nfs/dbraw/zinc/92/22/44/173922244.db2.gz QCVYAVASMNNCGK-UHFFFAOYSA-N 0 0 237.642 2.782 50 0 BFAARN COC(=O)c1sccc1-c1ccc(C=O)o1 ZINC000000165169 173923674 /nfs/dbraw/zinc/92/36/74/173923674.db2.gz RZYUUAQLLIBFPT-UHFFFAOYSA-N 0 0 236.248 2.607 50 0 BFAARN COCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000027319519 174055615 /nfs/dbraw/zinc/05/56/15/174055615.db2.gz NPIBTYVWVKVQAF-LLVKDONJSA-N 0 0 243.306 2.663 50 0 BFAARN COCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000023184889 174056359 /nfs/dbraw/zinc/05/63/59/174056359.db2.gz NLAGFFMVVIRVHL-UHFFFAOYSA-N 0 0 227.691 2.542 50 0 BFAARN COCC(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000097047106 174057205 /nfs/dbraw/zinc/05/72/05/174057205.db2.gz QLYOAUMGPWRKJG-CQSZACIVSA-N 0 0 247.338 2.681 50 0 BFAARN COCCCC(=O)NC(C)(C)c1cccc(C)c1 ZINC000071914376 174164338 /nfs/dbraw/zinc/16/43/38/174164338.db2.gz QSSKZANTRRPACK-UHFFFAOYSA-N 0 0 249.354 2.773 50 0 BFAARN COCCCNC(=O)c1oc2ccccc2c1C ZINC000004171497 174246468 /nfs/dbraw/zinc/24/64/68/174246468.db2.gz ZBLKDNFAAVNNGU-UHFFFAOYSA-N 0 0 247.294 2.508 50 0 BFAARN COCCCOc1c(F)cccc1Cl ZINC000187951964 174257249 /nfs/dbraw/zinc/25/72/49/174257249.db2.gz AHZKJYZAUNMZLD-UHFFFAOYSA-N 0 0 218.655 2.894 50 0 BFAARN COCCOc1c(Cl)cc(N)cc1Cl ZINC000037404550 174366356 /nfs/dbraw/zinc/36/63/56/174366356.db2.gz RBKKLQWVSGXOOJ-UHFFFAOYSA-N 0 0 236.098 2.601 50 0 BFAARN COCCOc1cc(N)c(Cl)cc1Cl ZINC000002571523 174368051 /nfs/dbraw/zinc/36/80/51/174368051.db2.gz LAYJEYSKRYZVSU-UHFFFAOYSA-N 0 0 236.098 2.601 50 0 BFAARN COC[C@@H](C)Oc1ccc(C(F)(F)F)cc1N ZINC000006678529 174463062 /nfs/dbraw/zinc/46/30/62/174463062.db2.gz GKQFQXHWSJXNQX-SSDOTTSWSA-N 0 0 249.232 2.701 50 0 BFAARN COCc1cccc(C(=O)N[C@@H](C)C(C)C)c1 ZINC000036391926 174628438 /nfs/dbraw/zinc/62/84/38/174628438.db2.gz OIHDIPVQVUBMCP-NSHDSACASA-N 0 0 235.327 2.607 50 0 BFAARN CON(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000004840266 174658249 /nfs/dbraw/zinc/65/82/49/174658249.db2.gz XXLVUAPKIAQHFL-UHFFFAOYSA-N 0 0 221.300 2.618 50 0 BFAARN COc1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000021364863 174937765 /nfs/dbraw/zinc/93/77/65/174937765.db2.gz BRFWEJIYUWUMNB-UHFFFAOYSA-N 0 0 208.648 2.739 50 0 BFAARN COc1cc(NC(C)=O)c(Cl)cc1Cl ZINC000034327668 175000473 /nfs/dbraw/zinc/00/04/73/175000473.db2.gz CTRIHOCZGTYVOA-UHFFFAOYSA-N 0 0 234.082 2.960 50 0 BFAARN COc1cc(NCc2ccoc2)cc(OC)c1 ZINC000004981170 175003643 /nfs/dbraw/zinc/00/36/43/175003643.db2.gz NYMCTPKATMFJSV-UHFFFAOYSA-N 0 0 233.267 2.909 50 0 BFAARN COc1cc2c(Cl)ncnc2cc1Cl ZINC000085221105 175019213 /nfs/dbraw/zinc/01/92/13/175019213.db2.gz ZYPYZZMHOIUNOS-UHFFFAOYSA-N 0 0 229.066 2.945 50 0 BFAARN COc1cc2c(cc1Br)CCC2=O ZINC000071773570 175020542 /nfs/dbraw/zinc/02/05/42/175020542.db2.gz UOPZFPWKIZTDRV-UHFFFAOYSA-N 0 0 241.084 2.587 50 0 BFAARN COc1cc2ccccc2cc1C(=O)N(C)C ZINC000024032559 175027055 /nfs/dbraw/zinc/02/70/55/175027055.db2.gz XJXJMOHVZJXFNG-UHFFFAOYSA-N 0 0 229.279 2.550 50 0 BFAARN COc1ccc(-c2ccc(=S)[nH]n2)cc1 ZINC000041231198 175032051 /nfs/dbraw/zinc/03/20/51/175032051.db2.gz GNJXOVJIRSUMDA-UHFFFAOYSA-N 0 0 218.281 2.815 50 0 BFAARN COc1ccc(-c2cc[nH]c(=S)n2)cc1 ZINC000000238385 175035397 /nfs/dbraw/zinc/03/53/97/175035397.db2.gz KSXDNCUHISGCTF-UHFFFAOYSA-N 0 0 218.281 2.815 50 0 BFAARN COc1ccc(-c2ccnc(SC)n2)cc1 ZINC000000126325 175035836 /nfs/dbraw/zinc/03/58/36/175035836.db2.gz BEEYAIQJLUJSMQ-UHFFFAOYSA-N 0 0 232.308 2.874 50 0 BFAARN COc1ccc(-c2cnc3n2CCCC3)cc1 ZINC000001509205 175037023 /nfs/dbraw/zinc/03/70/23/175037023.db2.gz XSFOQGPGAVPDFH-UHFFFAOYSA-N 0 0 228.295 2.895 50 0 BFAARN COc1ccc(-c2csc(NC(C)=O)n2)cc1 ZINC000000102013 175037692 /nfs/dbraw/zinc/03/76/92/175037692.db2.gz XAFPANDNJFYZGN-UHFFFAOYSA-N 0 0 248.307 2.777 50 0 BFAARN COc1ccc(/C=C/C(=O)N2CCCCC2)cc1 ZINC000000235071 175046268 /nfs/dbraw/zinc/04/62/68/175046268.db2.gz ICMXQLGIFUXUMR-JXMROGBWSA-N 0 0 245.322 2.721 50 0 biogenic BFAARN COc1ccc(Br)c2c1CC2 ZINC000095883919 175051394 /nfs/dbraw/zinc/05/13/94/175051394.db2.gz SBKIICHVFAIMAM-UHFFFAOYSA-N 0 0 213.074 2.556 50 0 BFAARN COc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000005515830 175055522 /nfs/dbraw/zinc/05/55/22/175055522.db2.gz KNMLGRITKHIXLO-LLVKDONJSA-N 0 0 233.311 2.567 50 0 BFAARN COc1ccc(C(=O)N2CCCCC2)cc1C ZINC000014292020 175056195 /nfs/dbraw/zinc/05/61/95/175056195.db2.gz VKGZMRRWPCJRCH-UHFFFAOYSA-N 0 0 233.311 2.630 50 0 BFAARN COc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000000075780 175057872 /nfs/dbraw/zinc/05/78/72/175057872.db2.gz YXADNHMHAQGLNJ-RYUDHWBXSA-N 0 0 247.338 2.813 50 0 BFAARN COc1ccc(C(=O)NC2CC2)c2ccccc12 ZINC000017122480 175058625 /nfs/dbraw/zinc/05/86/25/175058625.db2.gz GEIIIHNZTSIXBO-UHFFFAOYSA-N 0 0 241.290 2.741 50 0 BFAARN COc1ccc(C(=O)Oc2ccc(O)cc2)cc1 ZINC000000392737 175065539 /nfs/dbraw/zinc/06/55/39/175065539.db2.gz GVPRUTCPBVXLJT-UHFFFAOYSA-N 0 0 244.246 2.620 50 0 BFAARN COc1ccc(C)c2sc(NC(C)=O)nc21 ZINC000004330731 175071442 /nfs/dbraw/zinc/07/14/42/175071442.db2.gz KICCUUDZNANHMZ-UHFFFAOYSA-N 0 0 236.296 2.572 50 0 BFAARN COc1ccc(C)cc1NC(=O)C(C)(C)C ZINC000005379945 175077602 /nfs/dbraw/zinc/07/76/02/175077602.db2.gz RKQPBSPRYFVFDA-UHFFFAOYSA-N 0 0 221.300 2.988 50 0 BFAARN COc1ccc(C)cc1[C@@H](C)NC(=O)C(C)C ZINC000012847216 175079350 /nfs/dbraw/zinc/07/93/50/175079350.db2.gz SOCLSIAMGUPGKZ-LLVKDONJSA-N 0 0 235.327 2.837 50 0 BFAARN COc1ccc(C=O)cc1COCC(F)(F)F ZINC000002573206 175085920 /nfs/dbraw/zinc/08/59/20/175085920.db2.gz SNPAURZFFYMZOM-UHFFFAOYSA-N 0 0 248.200 2.587 50 0 BFAARN COc1ccc(CC(=O)Nc2ccccc2)cc1 ZINC000000585152 175087727 /nfs/dbraw/zinc/08/77/27/175087727.db2.gz AGDUICNLSDZXNC-UHFFFAOYSA-N 0 0 241.290 2.876 50 0 BFAARN COc1ccc(CCC(=O)NC2CCCC2)cc1 ZINC000000460599 175088354 /nfs/dbraw/zinc/08/83/54/175088354.db2.gz DLFGXUCTWFRLTB-UHFFFAOYSA-N 0 0 247.338 2.687 50 0 BFAARN COc1ccc(CCSc2nccn2C)cc1 ZINC000060653938 175092739 /nfs/dbraw/zinc/09/27/39/175092739.db2.gz TXZHQORMDKPNBF-UHFFFAOYSA-N 0 0 248.351 2.764 50 0 BFAARN COc1ccc(CNC(=O)C2CCCCC2)cc1 ZINC000000405870 175103785 /nfs/dbraw/zinc/10/37/85/175103785.db2.gz SPVZCODBKFFLAD-UHFFFAOYSA-N 0 0 247.338 2.892 50 0 BFAARN COc1ccc(CO)cc1OC1CCCC1 ZINC000002518255 175113092 /nfs/dbraw/zinc/11/30/92/175113092.db2.gz JIRHAGAOHOYLNO-UHFFFAOYSA-N 0 0 222.284 2.509 50 0 BFAARN COc1ccc(CO)cc1OCc1ccccc1 ZINC000000174361 175113456 /nfs/dbraw/zinc/11/34/56/175113456.db2.gz USBKCBSYNCWKLB-UHFFFAOYSA-N 0 0 244.290 2.767 50 0 BFAARN COc1ccc(COCc2cccc(N)c2)cc1 ZINC000019965626 175114020 /nfs/dbraw/zinc/11/40/20/175114020.db2.gz LLBHXAMYNYNDML-UHFFFAOYSA-N 0 0 243.306 2.994 50 0 BFAARN COc1ccc(CSCCCO)cc1Cl ZINC000188664022 175114285 /nfs/dbraw/zinc/11/42/85/175114285.db2.gz MHPHSMVXPOJQDF-UHFFFAOYSA-N 0 0 246.759 2.964 50 0 BFAARN COc1ccc(Cl)nc1Br ZINC000071863930 175122605 /nfs/dbraw/zinc/12/26/05/175122605.db2.gz FHKDVEORVOKAON-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN COc1ccc(N)c(OCc2ccccc2)c1 ZINC000095942567 175137605 /nfs/dbraw/zinc/13/76/05/175137605.db2.gz UJUHFHOHLITYEV-UHFFFAOYSA-N 0 0 229.279 2.856 50 0 BFAARN COc1ccc(NC(=O)C2CC2)cc1Cl ZINC000003472203 175140576 /nfs/dbraw/zinc/14/05/76/175140576.db2.gz QAAQXEQGUONCQL-UHFFFAOYSA-N 0 0 225.675 2.697 50 0 BFAARN COc1ccc(NC(=O)CC[C@@H]2CCCO2)cc1 ZINC000031872742 175141260 /nfs/dbraw/zinc/14/12/60/175141260.db2.gz YBIXUMCZGAOIEF-ZDUSSCGKSA-N 0 0 249.310 2.593 50 0 BFAARN COc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 ZINC000007917409 175142086 /nfs/dbraw/zinc/14/20/86/175142086.db2.gz VZNISIUAMIBOJV-NSHDSACASA-N 0 0 231.295 2.990 50 0 BFAARN COc1ccc(NC(=O)Cc2cccs2)cc1 ZINC000003161103 175142582 /nfs/dbraw/zinc/14/25/82/175142582.db2.gz ZKDDGJXJRDSOSK-UHFFFAOYSA-N 0 0 247.319 2.938 50 0 BFAARN COc1ccc(NC(=O)N2CCC(C)CC2)cc1 ZINC000000397525 175143133 /nfs/dbraw/zinc/14/31/33/175143133.db2.gz YJMGSVPGOIBYHC-UHFFFAOYSA-N 0 0 248.326 2.959 50 0 BFAARN COc1ccc(NC(=O)Nc2cccnc2)cc1 ZINC000037868931 175144243 /nfs/dbraw/zinc/14/42/43/175144243.db2.gz DJZIXMNKKSDCBD-UHFFFAOYSA-N 0 0 243.266 2.734 50 0 BFAARN COc1ccc(NC(=O)Nc2ccncc2)cc1 ZINC000000067722 175144640 /nfs/dbraw/zinc/14/46/40/175144640.db2.gz IFKGCTGEAFOLOL-UHFFFAOYSA-N 0 0 243.266 2.734 50 0 BFAARN COc1ccc(NC(=O)NCc2ccoc2)cc1 ZINC000047697745 175144699 /nfs/dbraw/zinc/14/46/99/175144699.db2.gz BLVIWLUSCZMYCF-UHFFFAOYSA-N 0 0 246.266 2.610 50 0 BFAARN COc1ccc(NC(=O)c2cccc(C)n2)cc1 ZINC000024254735 175147475 /nfs/dbraw/zinc/14/74/75/175147475.db2.gz SQCCPKSNBSBUOF-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(NC(=O)c2ccoc2C)cc1F ZINC000048506026 175148259 /nfs/dbraw/zinc/14/82/59/175148259.db2.gz GIJIDIXVISRBGX-UHFFFAOYSA-N 0 0 249.241 2.988 50 0 BFAARN COc1ccc(NCC(C)C)cc1OC ZINC000019908515 175151099 /nfs/dbraw/zinc/15/10/99/175151099.db2.gz CSFFYOFLHBAGLY-UHFFFAOYSA-N 0 0 209.289 2.772 50 0 BFAARN COc1ccc(OC(=O)c2ccc(O)cc2)cc1 ZINC000002556859 175162997 /nfs/dbraw/zinc/16/29/97/175162997.db2.gz MTQSVJUCLQYISS-UHFFFAOYSA-N 0 0 244.246 2.620 50 0 BFAARN COc1ccc(OC)c(C(=O)c2ccccc2)c1 ZINC000000295756 175164614 /nfs/dbraw/zinc/16/46/14/175164614.db2.gz PKEAHRFPMAHKBR-UHFFFAOYSA-N 0 0 242.274 2.935 50 0 BFAARN COc1ccc(OC)c2sc(Cl)nc21 ZINC000002455722 175171322 /nfs/dbraw/zinc/17/13/22/175171322.db2.gz HHZVUGPLXAGVOJ-UHFFFAOYSA-N 0 0 229.688 2.967 50 0 BFAARN COc1ccc([C@H](C)Nc2ncccn2)cc1F ZINC000091849102 175190394 /nfs/dbraw/zinc/19/03/94/175190394.db2.gz YMKOZCVPAINFRT-VIFPVBQESA-N 0 0 247.273 2.797 50 0 BFAARN COc1ccc([C@H]2CCCC[C@H]2O)cc1 ZINC000000393737 175194902 /nfs/dbraw/zinc/19/49/02/175194902.db2.gz FHVVYVTWZBXZBN-CHWSQXEVSA-N 0 0 206.285 2.714 50 0 BFAARN COc1ccc2[nH]cc(-c3csc(N)n3)c2c1 ZINC000000506522 175201608 /nfs/dbraw/zinc/20/16/08/175201608.db2.gz DSMFLFNPUPWNQN-UHFFFAOYSA-N 0 0 245.307 2.882 50 0 BFAARN COc1ccc2c(c1)[nH]c1c2ncnc1Cl ZINC000005911270 175218239 /nfs/dbraw/zinc/21/82/39/175218239.db2.gz RUDFUWOBDUSDDG-UHFFFAOYSA-N 0 0 233.658 2.773 50 0 BFAARN COc1ccc2ccc(OC)c(C=O)c2c1 ZINC000000453519 175225809 /nfs/dbraw/zinc/22/58/09/175225809.db2.gz PTTJQHKRNJYUGV-UHFFFAOYSA-N 0 0 216.236 2.670 50 0 BFAARN COc1ccc2ccn(CC3CCC3)c(=O)c2c1 ZINC000092333393 175226924 /nfs/dbraw/zinc/22/69/24/175226924.db2.gz JIWZRCAIZLWLIS-UHFFFAOYSA-N 0 0 243.306 2.810 50 0 BFAARN COc1ccc2nc(N3CCCC3)sc2c1 ZINC000000251259 175229424 /nfs/dbraw/zinc/22/94/24/175229424.db2.gz KYRDMSGXPQAQMM-UHFFFAOYSA-N 0 0 234.324 2.905 50 0 BFAARN COc1ccc2nc3c(nc2c1)CCCC3 ZINC000000152747 175229987 /nfs/dbraw/zinc/22/99/87/175229987.db2.gz QPXWLAMWMJJQRE-UHFFFAOYSA-N 0 0 214.268 2.517 50 0 BFAARN COc1ccc2oc(C(=O)NC3CC3)c(C)c2c1 ZINC000007969129 175231600 /nfs/dbraw/zinc/23/16/00/175231600.db2.gz TYAHPELQGOQPRQ-UHFFFAOYSA-N 0 0 245.278 2.642 50 0 BFAARN COc1cccc(-c2cnc(C)c(C)n2)c1F ZINC000215622482 175235497 /nfs/dbraw/zinc/23/54/97/175235497.db2.gz JIEQCFLDKILANU-UHFFFAOYSA-N 0 0 232.258 2.908 50 0 BFAARN COc1cccc(-c2ncccc2C=O)c1 ZINC000082371912 175237174 /nfs/dbraw/zinc/23/71/74/175237174.db2.gz WOTXCMOLQJIZGN-UHFFFAOYSA-N 0 0 213.236 2.570 50 0 BFAARN COc1cccc(-c2ncc(C=O)s2)c1 ZINC000019088537 175237593 /nfs/dbraw/zinc/23/75/93/175237593.db2.gz YVAFASMGYFSGPR-UHFFFAOYSA-N 0 0 219.265 2.631 50 0 BFAARN COc1cccc(-c2nc3ncccc3o2)c1 ZINC000039233178 175237839 /nfs/dbraw/zinc/23/78/39/175237839.db2.gz ROXWQVXCKKCLFC-UHFFFAOYSA-N 0 0 226.235 2.898 50 0 BFAARN COc1cccc(C(=O)N2CCC[C@@H](C)C2)c1 ZINC000000030018 175243588 /nfs/dbraw/zinc/24/35/88/175243588.db2.gz JWAHRASSBJEHBM-LLVKDONJSA-N 0 0 233.311 2.567 50 0 BFAARN COc1cccc(C(=O)c2cnccc2C)c1 ZINC000045028985 175246869 /nfs/dbraw/zinc/24/68/69/175246869.db2.gz ZPDPJGORMFAGKG-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1cccc(C(=O)c2ccc(Cl)nc2)c1 ZINC000045038679 175247066 /nfs/dbraw/zinc/24/70/66/175247066.db2.gz PYETXPWIRVWULI-UHFFFAOYSA-N 0 0 247.681 2.975 50 0 BFAARN COc1cccc(C(=O)c2cc(C)cc(C)c2)n1 ZINC000045028776 175247251 /nfs/dbraw/zinc/24/72/51/175247251.db2.gz SNZGZXDUYLGBFT-UHFFFAOYSA-N 0 0 241.290 2.938 50 0 BFAARN COc1cccc(C(=O)c2ccccc2OC)c1 ZINC000002574592 175247255 /nfs/dbraw/zinc/24/72/55/175247255.db2.gz GCJOBHLDPVQLSI-UHFFFAOYSA-N 0 0 242.274 2.935 50 0 BFAARN COc1cccc(C(=O)c2cccc(C)c2)n1 ZINC000045028717 175247335 /nfs/dbraw/zinc/24/73/35/175247335.db2.gz WRQNRRUXIWLRCP-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1cccc(C(F)(F)F)c1C=O ZINC000038529854 175247551 /nfs/dbraw/zinc/24/75/51/175247551.db2.gz LLBTYKHVRXDHKF-UHFFFAOYSA-N 0 0 204.147 2.527 50 0 BFAARN COc1cccc(C(=O)c2ccccc2C)n1 ZINC000045028716 175247584 /nfs/dbraw/zinc/24/75/84/175247584.db2.gz BLWZNFYQCUVTIF-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1cccc(CC(=O)Nc2ccccc2)c1 ZINC000003481043 175250823 /nfs/dbraw/zinc/25/08/23/175250823.db2.gz IMUCLRIJBGJUJB-UHFFFAOYSA-N 0 0 241.290 2.876 50 0 BFAARN COc1cccc(CCNC(=O)CC(C)(C)C)c1 ZINC000048299406 175252771 /nfs/dbraw/zinc/25/27/71/175252771.db2.gz OFFKPQNMRIRNHH-UHFFFAOYSA-N 0 0 249.354 2.790 50 0 BFAARN COc1cccc(CNc2ncccc2F)c1 ZINC000054700630 175268891 /nfs/dbraw/zinc/26/88/91/175268891.db2.gz KXIKBZUOXHEOBS-UHFFFAOYSA-N 0 0 232.258 2.841 50 0 BFAARN COc1cccc(CS[C@@H](C)[C@H](C)O)c1 ZINC000079057029 175271082 /nfs/dbraw/zinc/27/10/82/175271082.db2.gz GUSBSIVXZHSHHJ-UWVGGRQHSA-N 0 0 226.341 2.698 50 0 BFAARN COc1cccc(NC(=O)N2CCCCC2)c1 ZINC000000396473 175276052 /nfs/dbraw/zinc/27/60/52/175276052.db2.gz HSFMGYFRIYELAG-UHFFFAOYSA-N 0 0 234.299 2.713 50 0 BFAARN COc1cccc(NC(=O)N(C)[C@@H](C)C2CC2)c1 ZINC000036395934 175276489 /nfs/dbraw/zinc/27/64/89/175276489.db2.gz LHUUZIJEOUWJSU-JTQLQIEISA-N 0 0 248.326 2.957 50 0 BFAARN COc1cccc(NC2=NC(C)(C)CS2)c1 ZINC000003228256 175277829 /nfs/dbraw/zinc/27/78/29/175277829.db2.gz BROVDVIAJHHNCE-UHFFFAOYSA-N 0 0 236.340 2.989 50 0 BFAARN COc1cccc(NC(=O)c2ccc(C)o2)c1 ZINC000000473315 175277888 /nfs/dbraw/zinc/27/78/88/175277888.db2.gz DIQAQPUUNLVGEL-UHFFFAOYSA-N 0 0 231.251 2.849 50 0 BFAARN COc1cccc(NC(=O)c2ccc(C)nc2)c1 ZINC000012871492 175277942 /nfs/dbraw/zinc/27/79/42/175277942.db2.gz IASHLPNVIDBAIJ-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1cccc(NC(=O)c2cccc(N)c2)c1 ZINC000007468087 175278180 /nfs/dbraw/zinc/27/81/80/175278180.db2.gz IPLDETZXHWUBFN-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1cccc(NCc2cscn2)c1 ZINC000040420052 175278865 /nfs/dbraw/zinc/27/88/65/175278865.db2.gz QPWZNRSHRGXARB-UHFFFAOYSA-N 0 0 220.297 2.764 50 0 BFAARN COc1cccc([C@@H](O)Cc2ccccc2)c1 ZINC000000344495 175289723 /nfs/dbraw/zinc/28/97/23/175289723.db2.gz BCOIOUFGMAXMQK-HNNXBMFYSA-N 0 0 228.291 2.971 50 0 BFAARN COc1cccc2ccc(-c3cncnc3)nc21 ZINC000032565505 175307837 /nfs/dbraw/zinc/30/78/37/175307837.db2.gz UBPFALRBLYTYIB-UHFFFAOYSA-N 0 0 237.262 2.700 50 0 BFAARN COc1ccccc1-c1csc(C=O)n1 ZINC000002582752 175310243 /nfs/dbraw/zinc/31/02/43/175310243.db2.gz IGGUMKNXVIVDKI-UHFFFAOYSA-N 0 0 219.265 2.631 50 0 BFAARN COc1ccccc1C(=O)N1CCCC[C@H]1C ZINC000006249976 175317769 /nfs/dbraw/zinc/31/77/69/175317769.db2.gz UYTKRPSDYHXWAO-LLVKDONJSA-N 0 0 233.311 2.710 50 0 BFAARN COc1ccccc1C(=O)c1cc(C)ccn1 ZINC000045028588 175319712 /nfs/dbraw/zinc/31/97/12/175319712.db2.gz GITULVXNIFADAX-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1ccccc1C(=O)c1ccsc1 ZINC000034122965 175320154 /nfs/dbraw/zinc/32/01/54/175320154.db2.gz CZAKRXIKWPTTPI-UHFFFAOYSA-N 0 0 218.277 2.988 50 0 BFAARN COc1ccccc1CNC(=O)C1CCCCC1 ZINC000001457088 175328584 /nfs/dbraw/zinc/32/85/84/175328584.db2.gz MYCSEUMRKSYISC-UHFFFAOYSA-N 0 0 247.338 2.892 50 0 BFAARN COc1ccccc1Cc1nccnc1Cl ZINC000034924963 175334508 /nfs/dbraw/zinc/33/45/08/175334508.db2.gz CYWOVNRUTNABEU-UHFFFAOYSA-N 0 0 234.686 2.729 50 0 BFAARN COc1ccccc1Cn1cc[nH]c1=S ZINC000013776284 175334585 /nfs/dbraw/zinc/33/45/85/175334585.db2.gz LIXIHRXZBPTNFN-UHFFFAOYSA-N 0 0 220.297 2.603 50 0 BFAARN COc1ccccc1NC(=S)NCC(C)C ZINC000000458824 175336994 /nfs/dbraw/zinc/33/69/94/175336994.db2.gz RUBUBOAEBDAYMW-UHFFFAOYSA-N 0 0 238.356 2.638 50 0 BFAARN COc1ccccc1OC(=O)c1ccccc1 ZINC000000000349 175340617 /nfs/dbraw/zinc/34/06/17/175340617.db2.gz IZYQCDNLUPLXOO-UHFFFAOYSA-N 0 0 228.247 2.914 50 0 BFAARN COc1ccccc1[C@@H](C)NC(=O)C1CCC1 ZINC000013020925 175345223 /nfs/dbraw/zinc/34/52/23/175345223.db2.gz ZGCLJAPPVUBLQS-SNVBAGLBSA-N 0 0 233.311 2.673 50 0 BFAARN COc1ccccc1[C@@H]1CC(=O)Nc2n[nH]cc21 ZINC000020733921 175348819 /nfs/dbraw/zinc/34/88/19/175348819.db2.gz GCGSUVIRUQYLIF-VIFPVBQESA-N 0 0 243.266 2.542 50 0 BFAARN COc1nc(-c2ccccc2)nc(C)c1C ZINC000000343594 175388550 /nfs/dbraw/zinc/38/85/50/175388550.db2.gz SJQPAVIZZKRMHD-UHFFFAOYSA-N 0 0 214.268 2.769 50 0 BFAARN COc1nc2ccccc2cc1-c1ncc[nH]1 ZINC000067871891 175396398 /nfs/dbraw/zinc/39/63/98/175396398.db2.gz KAIBGQSCWSHAFL-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN CSCC[C@H](C)N(C)c1nc(C)cc(C)n1 ZINC000095972057 175505577 /nfs/dbraw/zinc/50/55/77/175505577.db2.gz UIROGISJRVHYCM-NSHDSACASA-N 0 0 239.388 2.671 50 0 BFAARN CS[C@@H]1CC[C@H](Nc2nc(C)ns2)C1 ZINC000078476835 175552063 /nfs/dbraw/zinc/55/20/63/175552063.db2.gz HZBZAWXVXFZGFG-JGVFFNPUSA-N 0 0 229.374 2.543 50 0 BFAARN CSc1ccc(C(=O)OCc2ccoc2)o1 ZINC000095395844 175574829 /nfs/dbraw/zinc/57/48/29/175574829.db2.gz AFUFXXQJNUMTRZ-UHFFFAOYSA-N 0 0 238.264 2.952 50 0 BFAARN CSc1cncc(Br)c1 ZINC000012471865 175585581 /nfs/dbraw/zinc/58/55/81/175585581.db2.gz AKFNVEXSYXJWQX-UHFFFAOYSA-N 0 0 204.092 2.566 50 0 BFAARN CSc1nc2cc(F)c(F)cc2n1C ZINC000000613078 175590152 /nfs/dbraw/zinc/59/01/52/175590152.db2.gz UJPTZWZMWVZGKP-UHFFFAOYSA-N 0 0 214.240 2.573 50 0 BFAARN C[C@@H](Cc1cccs1)NC(=O)C(C)(C)C ZINC000038935402 175775123 /nfs/dbraw/zinc/77/51/23/175775123.db2.gz PXAUAWQMELQNEM-VIFPVBQESA-N 0 0 225.357 2.841 50 0 BFAARN C[C@@H](NC(=O)NCc1ccco1)c1ccccc1 ZINC000012917147 175840152 /nfs/dbraw/zinc/84/01/52/175840152.db2.gz OWDCBLIQFLAPIL-LLVKDONJSA-N 0 0 244.294 2.840 50 0 BFAARN C[C@@H](O)/C=C/c1ccc(Br)cc1 ZINC000038841438 175939554 /nfs/dbraw/zinc/93/95/54/175939554.db2.gz QVAMPRCBAQIQBI-UFUPEUMYSA-N 0 0 227.101 2.843 50 0 BFAARN C[C@@H](Sc1nc[nH]n1)c1ccc(F)cc1 ZINC000058104194 176010384 /nfs/dbraw/zinc/01/03/84/176010384.db2.gz KSUXTYHRUAXVKQ-SSDOTTSWSA-N 0 0 223.276 2.797 50 0 BFAARN C[C@@H](Sc1cn[nH]n1)c1ccccc1F ZINC000084660760 176010703 /nfs/dbraw/zinc/01/07/03/176010703.db2.gz FCSSFAVQWBJLGH-SSDOTTSWSA-N 0 0 223.276 2.797 50 0 BFAARN C[C@H](c1nc([C@H]2CCOC2)no1)c1ccccc1 ZINC000252492332 176023997 /nfs/dbraw/zinc/02/39/97/176023997.db2.gz MJDFWWJHCZLUGT-JQWIXIFHSA-N 0 0 244.294 2.725 50 0 BFAARN C[C@@H](c1nc(-c2ccsc2)no1)n1ccnc1 ZINC000078773706 176038009 /nfs/dbraw/zinc/03/80/09/176038009.db2.gz QRTCFHIKCZISKD-QMMMGPOBSA-N 0 0 246.295 2.604 50 0 BFAARN C[C@@H](c1nc(C(C)(C)C)no1)N1CCCC1 ZINC000044069585 176038217 /nfs/dbraw/zinc/03/82/17/176038217.db2.gz PIVXYVKWEWXHKL-VIFPVBQESA-N 0 0 223.320 2.524 50 0 BFAARN C[C@@H]1C(=O)C[C@@H](c2ccco2)N[C@H]1c1ccco1 ZINC000034685099 176043639 /nfs/dbraw/zinc/04/36/39/176043639.db2.gz ODBXCYFSKSAVDY-ISTVAULSSA-N 0 0 245.278 2.854 50 0 BFAARN C[C@@H]1CC(=O)C[C@@H](C)N1Cc1ccccc1 ZINC000034725305 176048643 /nfs/dbraw/zinc/04/86/43/176048643.db2.gz RZABKAGQMPNUFJ-VXGBXAGGSA-N 0 0 217.312 2.629 50 0 BFAARN C[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1 ZINC000000302879 176067251 /nfs/dbraw/zinc/06/72/51/176067251.db2.gz AMPWYUIBWBLDRH-LLVKDONJSA-N 0 0 235.302 2.769 50 0 BFAARN C[C@@H]1CCCCN1C(=O)c1ccc(Cl)o1 ZINC000032727122 176069102 /nfs/dbraw/zinc/06/91/02/176069102.db2.gz AQAJGVYUVGISJX-MRVPVSSYSA-N 0 0 227.691 2.948 50 0 BFAARN C[C@@H]1CCCC[C@@H]1NC(=O)Nc1nccs1 ZINC000042738129 176079680 /nfs/dbraw/zinc/07/96/80/176079680.db2.gz NCQOCTSLTFRBEN-BDAKNGLRSA-N 0 0 239.344 2.843 50 0 BFAARN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccco1 ZINC000032787726 176085962 /nfs/dbraw/zinc/08/59/62/176085962.db2.gz VYXBJTIVSBVZOH-GHMZBOCLSA-N 0 0 221.300 2.930 50 0 BFAARN C[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000032747699 176092203 /nfs/dbraw/zinc/09/22/03/176092203.db2.gz PDQUUMDIZMXOOE-NEPJUHHUSA-N 0 0 207.317 2.601 50 0 BFAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@@H](C)C1 ZINC000000030485 176093697 /nfs/dbraw/zinc/09/36/97/176093697.db2.gz KUNCMVZNJCVBNU-CHWSQXEVSA-N 0 0 247.338 2.712 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 ZINC000074933099 176095409 /nfs/dbraw/zinc/09/54/09/176095409.db2.gz HFMBNAUEMJPLTO-GFCCVEGCSA-N 0 0 246.354 2.625 50 0 BFAARN C[C@@H]1CCCN(Cc2nnc(C(C)(C)C)o2)C1 ZINC000046837858 176103082 /nfs/dbraw/zinc/10/30/82/176103082.db2.gz JBQSKKZFMATJSI-SNVBAGLBSA-N 0 0 237.347 2.599 50 0 BFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CCCS1 ZINC000098015807 176115571 /nfs/dbraw/zinc/11/55/71/176115571.db2.gz KUICHCGNVMQXBC-MXWKQRLJSA-N 0 0 227.373 2.672 50 0 BFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccco1 ZINC000000340599 176115845 /nfs/dbraw/zinc/11/58/45/176115845.db2.gz QUWXLHIGIJVNOV-NXEZZACHSA-N 0 0 207.273 2.683 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)/C=C/c2cccnc2)C1 ZINC000033185052 176120817 /nfs/dbraw/zinc/12/08/17/176120817.db2.gz XTTALFPNMRPTQE-SNRDVKANSA-N 0 0 244.338 2.790 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)NCC2CC2)[C@@H]1C ZINC000127918961 176122012 /nfs/dbraw/zinc/12/20/12/176122012.db2.gz DJSSVJKLIDNHMN-CKYFFXLPSA-N 0 0 224.348 2.520 50 0 BFAARN C[C@@H]1CCC[C@H](CSc2nncn2C)C1 ZINC000092199096 176139317 /nfs/dbraw/zinc/13/93/17/176139317.db2.gz JVCPIIVYJIBDRV-ZJUUUORDSA-N 0 0 225.361 2.734 50 0 BFAARN C[C@@H]1COC[C@@H](C)N1C(=O)CC1=CCCCC1 ZINC000098012944 176345976 /nfs/dbraw/zinc/34/59/76/176345976.db2.gz FAERIPLOYBJPBX-VXGBXAGGSA-N 0 0 237.343 2.513 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000245202903 176359859 /nfs/dbraw/zinc/35/98/59/176359859.db2.gz XBRHKOKFAOVBSD-JHJVBQTASA-N 0 0 221.344 2.847 50 0 BFAARN C[C@@H]1C[C@@H](Sc2ccccc2F)C(=O)O1 ZINC000065613111 176383685 /nfs/dbraw/zinc/38/36/85/176383685.db2.gz BXCWIZOFEGMQNH-GMSGAONNSA-N 0 0 226.272 2.622 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NC1CCCCCCC1 ZINC000013329317 176386319 /nfs/dbraw/zinc/38/63/19/176386319.db2.gz SEFREKPHHHXHTH-PWSUYJOCSA-N 0 0 209.333 2.872 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)Nc1cccc2cccnc21 ZINC000012972113 176432929 /nfs/dbraw/zinc/43/29/29/176432929.db2.gz PIEGJDNAXPKJAG-MWLCHTKSSA-N 0 0 226.279 2.829 50 0 BFAARN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCS1 ZINC000082337157 176451598 /nfs/dbraw/zinc/45/15/98/176451598.db2.gz PMOZJGGKZVTQIS-ZWNOBZJWSA-N 0 0 247.363 2.860 50 0 BFAARN C[C@H](C1CC1)N(C)C(=O)[C@H]1CC=CCC1 ZINC000058313136 176591534 /nfs/dbraw/zinc/59/15/34/176591534.db2.gz HVHNZKUDCBNHIA-PWSUYJOCSA-N 0 0 207.317 2.600 50 0 BFAARN C[C@H](CNC(=O)c1ccoc1)c1ccccc1 ZINC000032201634 176677542 /nfs/dbraw/zinc/67/75/42/176677542.db2.gz CKRXGHKGNHDCQK-LLVKDONJSA-N 0 0 229.279 2.813 50 0 BFAARN C[C@H](NC(=O)CCC1CCCC1)[C@@H]1CCCO1 ZINC000006700187 176790748 /nfs/dbraw/zinc/79/07/48/176790748.db2.gz SJULNWDEBXCCME-AAEUAGOBSA-N 0 0 239.359 2.641 50 0 BFAARN C[C@H](O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000035188728 177017485 /nfs/dbraw/zinc/01/74/85/177017485.db2.gz KELRWTBDHHZZFX-NSHDSACASA-N 0 0 241.290 2.992 50 0 BFAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(N)=O ZINC000006065879 177022229 /nfs/dbraw/zinc/02/22/29/177022229.db2.gz STCHCGPEWJVZAA-NSHDSACASA-N 0 0 241.290 2.606 50 0 BFAARN C[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)C ZINC000012380293 177023176 /nfs/dbraw/zinc/02/31/76/177023176.db2.gz SFKOJHZYAGQIOL-NSHDSACASA-N 0 0 243.306 2.695 50 0 BFAARN C[C@H](Oc1ccccc1)C(=O)Nc1nccs1 ZINC000004731385 177024849 /nfs/dbraw/zinc/02/48/49/177024849.db2.gz QPRUFYKSDXNYSO-VIFPVBQESA-N 0 0 248.307 2.549 50 0 BFAARN C[C@H](SCc1cccc2ccccc21)C(N)=O ZINC000048674961 177028004 /nfs/dbraw/zinc/02/80/04/177028004.db2.gz ZEYSUOGPWAZIQP-JTQLQIEISA-N 0 0 245.347 2.947 50 0 BFAARN C[C@@H](O)[C@H](C)c1nc2ccccc2s1 ZINC000063039735 177054442 /nfs/dbraw/zinc/05/44/42/177054442.db2.gz IPIQXWOAAIBYKG-JGVFFNPUSA-N 0 0 207.298 2.781 50 0 BFAARN C[C@H]1CCCCN1C(=O)/C=C/c1ccco1 ZINC000006253321 177071856 /nfs/dbraw/zinc/07/18/56/177071856.db2.gz ZGUZPTGJKCGZIJ-AEZGRPFRSA-N 0 0 219.284 2.694 50 0 BFAARN C[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1 ZINC000000302878 177072085 /nfs/dbraw/zinc/07/20/85/177072085.db2.gz AMPWYUIBWBLDRH-NSHDSACASA-N 0 0 235.302 2.769 50 0 BFAARN C[C@H]1CCCCN1C(=O)C(Cl)(Cl)Cl ZINC000000450138 177072164 /nfs/dbraw/zinc/07/21/64/177072164.db2.gz IMYPMKJGSFJCTO-LURJTMIESA-N 0 0 244.549 2.758 50 0 BFAARN C[C@H]1CCCCN1C(=O)Cc1cccc(F)c1 ZINC000075496674 177072450 /nfs/dbraw/zinc/07/24/50/177072450.db2.gz HBFRQJZVZRIEPX-NSHDSACASA-N 0 0 235.302 2.769 50 0 BFAARN C[C@H]1CCCCN1C(=O)c1cccs1 ZINC000000029173 177074139 /nfs/dbraw/zinc/07/41/39/177074139.db2.gz YSIORHVCVRQUFC-VIFPVBQESA-N 0 0 209.314 2.763 50 0 BFAARN C[C@H]1CCCC[N@@H+]1[C@@H](C(=O)[O-])c1ccccc1 ZINC000011800860 177079205 /nfs/dbraw/zinc/07/92/05/177079205.db2.gz PIIALDQBBNGPDU-WCQYABFASA-N 0 0 233.311 2.687 50 0 BFAARN C[C@H]1CCCC[N@@H+]1[C@H](C(=O)[O-])c1ccccc1 ZINC000002545024 177079260 /nfs/dbraw/zinc/07/92/60/177079260.db2.gz PIIALDQBBNGPDU-AAEUAGOBSA-N 0 0 233.311 2.687 50 0 BFAARN C[C@H]1CCCC[C@@H]1NC(=O)CC(F)(F)F ZINC000043070923 177082113 /nfs/dbraw/zinc/08/21/13/177082113.db2.gz WHJAJWGWXYOJFY-YUMQZZPRSA-N 0 0 223.238 2.634 50 0 BFAARN C[C@H]1CCCN(C(=O)C2CC=CC2)CC1 ZINC000089929857 177091156 /nfs/dbraw/zinc/09/11/56/177091156.db2.gz VOIVYXITHSRMIW-NSHDSACASA-N 0 0 207.317 2.601 50 0 BFAARN C[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000001480334 177095188 /nfs/dbraw/zinc/09/51/88/177095188.db2.gz KXEVGKCOPOYOFG-NSHDSACASA-N 0 0 203.285 2.559 50 0 BFAARN C[C@H]1CCc2c(C(=O)NC3CC3)csc2C1 ZINC000017122066 177209151 /nfs/dbraw/zinc/20/91/51/177209151.db2.gz CCMVDXMDIFIBOA-QMMMGPOBSA-N 0 0 235.352 2.765 50 0 BFAARN C[C@H]1CN(C(=O)C(C)(C)C)Cc2ccccc2O1 ZINC000082353550 177212059 /nfs/dbraw/zinc/21/20/59/177212059.db2.gz SMZRRRUDGDEHOE-NSHDSACASA-N 0 0 247.338 2.842 50 0 BFAARN C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000019607045 177261667 /nfs/dbraw/zinc/26/16/67/177261667.db2.gz KNIIMCBPRMMBRM-QWRGUYRKSA-N 0 0 239.746 2.949 50 0 BFAARN C[C@H]1CN=C(Nc2ccc(N(C)C)cc2)S1 ZINC000012341400 177282072 /nfs/dbraw/zinc/28/20/72/177282072.db2.gz GRFZECBQOVYTMH-VIFPVBQESA-N 0 0 235.356 2.656 50 0 BFAARN C[C@H]1C[C@@H](O)c2cc(Br)ccc2N1 ZINC000000517841 177338510 /nfs/dbraw/zinc/33/85/10/177338510.db2.gz USYQORVUJKRYHT-QUBYGPBYSA-N 0 0 242.116 2.687 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000124287548 177339039 /nfs/dbraw/zinc/33/90/39/177339039.db2.gz WAHFAXNUZGJZTJ-GPIFJYJGSA-N 0 0 247.382 2.926 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)N(C)c1nc2ccccc2s1 ZINC000026955944 177340298 /nfs/dbraw/zinc/34/02/98/177340298.db2.gz GXQRXFIDWBAKBZ-IUCAKERBSA-N 0 0 246.335 2.915 50 0 BFAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccco1 ZINC000013596417 177390824 /nfs/dbraw/zinc/39/08/24/177390824.db2.gz ULUVSOZMODOQCT-JTQLQIEISA-N 0 0 227.263 2.871 50 0 BFAARN C[Si](C)(C)C[C@H](O)Cc1ccccc1 ZINC000169820053 177499168 /nfs/dbraw/zinc/49/91/68/177499168.db2.gz FDDSMWUFJNULIF-GFCCVEGCSA-N 0 0 208.377 2.928 50 0 BFAARN Cc1[nH]c2ccccc2c1[C@H](O)c1cccnc1 ZINC000000071962 177516203 /nfs/dbraw/zinc/51/62/03/177516203.db2.gz CTDQZAAWPMOVPZ-OAHLLOKOSA-N 0 0 238.290 2.953 50 0 BFAARN Cc1[nH]ccc1C(=O)N1CC[C@H](C)C[C@@H](C)C1 ZINC000163142113 177521857 /nfs/dbraw/zinc/52/18/57/177521857.db2.gz UWFKFOUCJKSKRU-WDEREUQCSA-N 0 0 234.343 2.831 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000248512988 487799751 /nfs/dbraw/zinc/79/97/51/487799751.db2.gz CJMCXIVDFYLRQW-MTVMDMGHSA-N 0 0 209.333 2.583 50 0 BFAARN CC[C@@H](C)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000023082148 487846845 /nfs/dbraw/zinc/84/68/45/487846845.db2.gz GAESAQJWJOQQAE-SECBINFHSA-N 0 0 237.299 2.688 50 0 BFAARN C1CC1c1nsc(NC2CCCC2)n1 ZINC000083652002 487927114 /nfs/dbraw/zinc/92/71/14/487927114.db2.gz TWJKYGXRLFNDJL-UHFFFAOYSA-N 0 0 209.318 2.770 50 0 BFAARN Cc1nc(C)c([C@H](C)NC(=O)C(C)C)s1 ZINC000048815541 487931969 /nfs/dbraw/zinc/93/19/69/487931969.db2.gz ZECWVBZTKUPZEE-QMMMGPOBSA-N 0 0 226.345 2.593 50 0 BFAARN CCCc1cc(C(=O)N2CCC[C@H]2C(C)C)[nH]n1 ZINC000049122558 487942266 /nfs/dbraw/zinc/94/22/66/487942266.db2.gz YFVLNHDGQWGXJR-ZDUSSCGKSA-N 0 0 249.358 2.623 50 0 BFAARN CC(=O)Nc1ccc(Br)cc1F ZINC000000056819 322809119 /nfs/dbraw/zinc/80/91/19/322809119.db2.gz BCYGKMDWQBWUSC-UHFFFAOYSA-N 0 0 232.052 2.547 50 0 BFAARN CC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000127115830 323004629 /nfs/dbraw/zinc/00/46/29/323004629.db2.gz XLYBPJPHBJNNIC-UHFFFAOYSA-N 0 0 217.190 2.750 50 0 BFAARN CC(=O)N[C@H](C)c1ccc(-c2c[nH]nc2C)cc1 ZINC000534587368 323154270 /nfs/dbraw/zinc/15/42/70/323154270.db2.gz MKUKPFYAHGMRLF-SECBINFHSA-N 0 0 243.310 2.582 50 0 BFAARN CC[C@H](OC)C(=O)NC1(c2ccc(C)cc2)CC1 ZINC000534589583 323154455 /nfs/dbraw/zinc/15/44/55/323154455.db2.gz KNCKJWMCXOFBDA-ZDUSSCGKSA-N 0 0 247.338 2.525 50 0 BFAARN CC(C)[C@H](NC(=O)c1ccc[nH]1)c1cccnc1 ZINC000534674646 323159056 /nfs/dbraw/zinc/15/90/56/323159056.db2.gz PKHHOJGJFODJCY-ZDUSSCGKSA-N 0 0 243.310 2.537 50 0 BFAARN Fc1ccc(OCc2ccccc2)cn1 ZINC000113148921 323173287 /nfs/dbraw/zinc/17/32/87/323173287.db2.gz OVAGMYDTEQUFKK-UHFFFAOYSA-N 0 0 203.216 2.800 50 0 BFAARN O=C1C=CCC2(CCCC2)[C@@]12CCCO2 ZINC000043198878 323236884 /nfs/dbraw/zinc/23/68/84/323236884.db2.gz JXVHYGQFCONZFB-CYBMUJFWSA-N 0 0 206.285 2.625 50 0 BFAARN CC1=CC[C@H]2[C@@H](C1)[C@H](O)[C@H]1CC=C(C)C[C@H]1[C@H]2O ZINC000216523232 323238726 /nfs/dbraw/zinc/23/87/26/323238726.db2.gz VJTLGAFBMXQRLJ-UGYDUONOSA-N 0 0 248.366 2.667 50 0 BFAARN Cc1occc1SCC(=O)Nc1ccncc1 ZINC000131506903 325157448 /nfs/dbraw/zinc/15/74/48/325157448.db2.gz SGJUWPZREQOVOI-UHFFFAOYSA-N 0 0 248.307 2.714 50 0 BFAARN Cc1ccc(C(=O)N2Cc3cccnc3C2)s1 ZINC000549731895 325513805 /nfs/dbraw/zinc/51/38/05/325513805.db2.gz YOEJQCOCXXIQGK-UHFFFAOYSA-N 0 0 244.319 2.608 50 0 BFAARN CC/C=C/CCSc1nncs1 ZINC000185185929 488018603 /nfs/dbraw/zinc/01/86/03/488018603.db2.gz JQSFTJXLVQTYMC-ONEGZZNKSA-N 0 0 200.332 2.987 50 0 BFAARN CNc1cc(C)nc(Nc2ccc(OC)cc2)n1 ZINC000084555470 488062778 /nfs/dbraw/zinc/06/27/78/488062778.db2.gz WHAYSWIEJNWERQ-UHFFFAOYSA-N 0 0 244.298 2.579 50 0 BFAARN CCCCC[C@H](C)NC(=O)NC(C)C ZINC000084743047 488090015 /nfs/dbraw/zinc/09/00/15/488090015.db2.gz IHKIBHUNAZSCRQ-JTQLQIEISA-N 0 0 200.326 2.663 50 0 BFAARN c1ccc2nc(N3C[C@@H]4CC[C@@H](C4)C3)cnc2c1 ZINC000670434355 487485715 /nfs/dbraw/zinc/48/57/15/487485715.db2.gz OZRGPPRTNCMPRN-TXEJJXNPSA-N 0 0 239.322 2.866 50 0 BFAARN c1nc(C2CC2)cc(N2C[C@@H]3CC[C@@H](C3)C2)n1 ZINC000670451557 487502274 /nfs/dbraw/zinc/50/22/74/487502274.db2.gz CBGOCDQBMKHPBS-PHIMTYICSA-N 0 0 229.327 2.590 50 0 BFAARN CCCCn1ncnc1[C@H](C)N1CCCCC1 ZINC000670457277 487510173 /nfs/dbraw/zinc/51/01/73/487510173.db2.gz MACKLDHIAZARCL-LBPRGKRZSA-N 0 0 236.363 2.625 50 0 BFAARN CCN(C(=O)C1CC=CC1)c1cccnc1C ZINC000253432076 488005928 /nfs/dbraw/zinc/00/59/28/488005928.db2.gz IULMHRPABBAVLG-UHFFFAOYSA-N 0 0 230.311 2.709 50 0 BFAARN CCC(=O)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000335489307 490304945 /nfs/dbraw/zinc/30/49/45/490304945.db2.gz VATXIZPNUABMSD-QMMMGPOBSA-N 0 0 223.238 2.587 50 0 BFAARN OCc1cc2c(cncc2Br)s1 ZINC000202096647 491066927 /nfs/dbraw/zinc/06/69/27/491066927.db2.gz KDASDVVLOLIUDT-UHFFFAOYSA-N 0 0 244.113 2.551 50 0 BFAARN CCc1cnc(C)nc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000072123940 491122402 /nfs/dbraw/zinc/12/24/02/491122402.db2.gz SHAXURWKACUFLH-OKILXGFUSA-N 0 0 243.354 2.750 50 0 BFAARN CSc1cc(C(=O)OCc2ccoc2)ccn1 ZINC000097048964 491124198 /nfs/dbraw/zinc/12/41/98/491124198.db2.gz ZXLHUQWLZBEXFU-UHFFFAOYSA-N 0 0 249.291 2.754 50 0 BFAARN COc1cc(Cl)c(NC(C)=O)c(Cl)c1 ZINC000000109727 518137260 /nfs/dbraw/zinc/13/72/60/518137260.db2.gz YMDULTGLSDMTFL-UHFFFAOYSA-N 0 0 234.082 2.960 50 0 in-vitro BFAARN C[C@H](NC(=O)CC(F)(F)F)c1ccc(F)cc1 ZINC000043071822 518182766 /nfs/dbraw/zinc/18/27/66/518182766.db2.gz FJIMPMHUVNUZRD-ZETCQYMHSA-N 0 0 249.207 2.955 50 0 BFAARN Clc1nc(Cl)c2c(n1)CCCC2 ZINC000039252736 518194683 /nfs/dbraw/zinc/19/46/83/518194683.db2.gz KBAXPKVNVXMVKV-UHFFFAOYSA-N 0 0 203.072 2.662 50 0 BFAARN CC(C)=CCSCc1cn2cccnc2n1 ZINC000253416177 519442060 /nfs/dbraw/zinc/44/20/60/519442060.db2.gz MQJCIJWEAOVXSZ-UHFFFAOYSA-N 0 0 233.340 2.929 50 0 BFAARN CCCC[S@](=O)CCSc1ccccn1 ZINC000035327301 521258594 /nfs/dbraw/zinc/25/85/94/521258594.db2.gz VXRKPWUPIZRQPX-OAHLLOKOSA-N 0 0 243.397 2.723 50 0 BFAARN Cc1cccc(C(=O)Nc2ccccc2CO)c1 ZINC000000446313 534626395 /nfs/dbraw/zinc/62/63/95/534626395.db2.gz IBMAYUUOJQRNHV-UHFFFAOYSA-N 0 0 241.290 2.740 50 0 BFAARN CN(C(=O)CCCc1ccccn1)C1CCCC1 ZINC000071903359 523802438 /nfs/dbraw/zinc/80/24/38/523802438.db2.gz IGLXAAYKZGSYHF-UHFFFAOYSA-N 0 0 246.354 2.805 50 0 BFAARN CC[C@H](C)C[C@@H](C)NC(=O)NCc1ccncc1 ZINC000078933106 523896727 /nfs/dbraw/zinc/89/67/27/523896727.db2.gz DOKIXVPNGNBLBC-NWDGAFQWSA-N 0 0 249.358 2.706 50 0 BFAARN CC[C@H](C)N(C(=O)[C@@H]1CCO[C@H]1C)[C@@H](C)CC ZINC000242346952 523907785 /nfs/dbraw/zinc/90/77/85/523907785.db2.gz ZKNSKAIPTUAXLN-ZDEQEGDKSA-N 0 0 241.375 2.837 50 0 BFAARN Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000000392753 534746316 /nfs/dbraw/zinc/74/63/16/534746316.db2.gz OMZLQCLKNQSQQE-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)c2ccccn2)[C@H]1C ZINC000248059935 524407599 /nfs/dbraw/zinc/40/75/99/524407599.db2.gz CWMQOLYRWYJRRD-WOPDTQHZSA-N 0 0 232.327 2.636 50 0 BFAARN Cc1cccc(N2CCO[C@@H](c3ccco3)C2)n1 ZINC000157924401 524562977 /nfs/dbraw/zinc/56/29/77/524562977.db2.gz SJGPOJVQAZKJSB-CYBMUJFWSA-N 0 0 244.294 2.561 50 0 BFAARN Cc1cccc(OCCCNC(=O)CC(C)C)c1 ZINC000040013533 524733745 /nfs/dbraw/zinc/73/37/45/524733745.db2.gz FKGOWDNANPSBAE-UHFFFAOYSA-N 0 0 249.354 2.926 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000239308973 524839134 /nfs/dbraw/zinc/83/91/34/524839134.db2.gz HCNCEEAFXADKPJ-RHYQMDGZSA-N 0 0 223.360 2.973 50 0 BFAARN C[C@@H](Cc1ccco1)NC(=O)C[C@H]1C=CCC1 ZINC000040074697 524926646 /nfs/dbraw/zinc/92/66/46/524926646.db2.gz PSQFORNGHDVYMZ-RYUDHWBXSA-N 0 0 233.311 2.683 50 0 BFAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)C2CC2)o1 ZINC000065516644 525339997 /nfs/dbraw/zinc/33/99/97/525339997.db2.gz JSBSTHQIWUGXDZ-MFKMUULPSA-N 0 0 247.338 2.956 50 0 BFAARN Fc1ccccc1CCNc1nnc(C2CC2)o1 ZINC000091416862 526409880 /nfs/dbraw/zinc/40/98/80/526409880.db2.gz TUYFFLZYDAGLDV-UHFFFAOYSA-N 0 0 247.273 2.741 50 0 BFAARN CCn1nc(C)cc1-c1ccncc1C ZINC000685943581 537932828 /nfs/dbraw/zinc/93/28/28/537932828.db2.gz FACVNYXRVNFUTE-UHFFFAOYSA-N 0 0 201.273 2.582 50 0 BFAARN CC(C)[C@@H]1CCCCN1C(=O)Nc1cccnn1 ZINC000097103656 566293983 /nfs/dbraw/zinc/29/39/83/566293983.db2.gz QMYLPJJBFAQZSW-NSHDSACASA-N 0 0 248.330 2.519 50 0 BFAARN CCN(C)C(=O)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000064290549 583974563 /nfs/dbraw/zinc/97/45/63/583974563.db2.gz XZEYXYQKAKKNLU-UHFFFAOYSA-N 0 0 247.338 2.645 50 0 BFAARN c1cnc2nc(-c3ccc4c(c3)OCO4)oc2c1 ZINC000074327540 583974747 /nfs/dbraw/zinc/97/47/47/583974747.db2.gz VACRTBNJGYKKRW-UHFFFAOYSA-N 0 0 240.218 2.619 50 0 BFAARN C=CC(=O)N(C)Cc1cc2ccccc2o1 ZINC000791378643 585979818 /nfs/dbraw/zinc/97/98/18/585979818.db2.gz MUSGBLIMKGJDLC-UHFFFAOYSA-N 0 0 215.252 2.577 50 0 BFAARN C=CC(=O)N1CCC[C@@]1(C)Cc1ccccc1F ZINC000863971201 589330257 /nfs/dbraw/zinc/33/02/57/589330257.db2.gz ISHRJUJQECUELM-HNNXBMFYSA-N 0 0 247.313 2.935 50 0 BFAARN C=CC(=O)N1CC2(CCC2)c2ccccc21 ZINC000863970866 589330270 /nfs/dbraw/zinc/33/02/70/589330270.db2.gz XLVWGNNXCFTPAD-UHFFFAOYSA-N 0 0 213.280 2.641 50 0 BFAARN C=CC(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000863970996 589330291 /nfs/dbraw/zinc/33/02/91/589330291.db2.gz ACJFWIWYCLHAKV-CQSZACIVSA-N 0 0 241.334 2.969 50 0 BFAARN C=CC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000863971567 589330666 /nfs/dbraw/zinc/33/06/66/589330666.db2.gz YXVSWUFTVQHGGL-WCQYABFASA-N 0 0 233.286 2.764 50 0 BFAARN O=c1[nH]c2ccccc2nc1Cc1ccccc1 ZINC000008619751 591818235 /nfs/dbraw/zinc/81/82/35/591818235.db2.gz XEVRCXXOIPCZGJ-UHFFFAOYSA-N 0 0 236.274 2.514 50 0 BFAARN CCCn1nccc1NC(=O)/C=C\c1ccco1 ZINC000103447492 592581504 /nfs/dbraw/zinc/58/15/04/592581504.db2.gz SMIGYDKQJOAFHR-WAYWQWQTSA-N 0 0 245.282 2.538 50 0 BFAARN CO[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000000032166 631289338 /nfs/dbraw/zinc/28/93/38/631289338.db2.gz SMGKQBBUCCCFBY-HNNXBMFYSA-N 0 0 241.290 2.762 50 0 BFAARN O=c1cccc(-c2ccc(Cl)cc2)o1 ZINC000003124524 632647070 /nfs/dbraw/zinc/64/70/70/632647070.db2.gz COJFGMLCKZHERZ-UHFFFAOYSA-N 0 0 206.628 2.960 50 0 BFAARN C/C=C\COC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000048766212 635913777 /nfs/dbraw/zinc/91/37/77/635913777.db2.gz GLQPCXNDZVYWAA-WAYWQWQTSA-N 0 0 235.283 2.567 50 0 BFAARN CCOc1ncccc1-c1cn(CC)nc1C ZINC000426377929 635696674 /nfs/dbraw/zinc/69/66/74/635696674.db2.gz HRNTZZKBBZLHJN-UHFFFAOYSA-N 0 0 231.299 2.672 50 0 BFAARN O=C(NC(=O)C1CCCCC1)c1ccccc1 ZINC000006634504 636536950 /nfs/dbraw/zinc/53/69/50/636536950.db2.gz BUQRMDKTZVKRIN-UHFFFAOYSA-N 0 0 231.295 2.523 50 0 BFAARN Nc1ccc(-c2noc(C3CCC3)n2)cc1 ZINC000035696805 642403729 /nfs/dbraw/zinc/40/37/29/642403729.db2.gz MHHGDRZZYSTOOV-UHFFFAOYSA-N 0 0 215.256 2.586 50 0 BFAARN Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC=O ZINC000000190966 642750093 /nfs/dbraw/zinc/75/00/93/642750093.db2.gz CXCVCIXZMDJVSW-ZDUSSCGKSA-N 0 0 228.295 2.600 50 0 BFAARN c1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000118159800 643041588 /nfs/dbraw/zinc/04/15/88/643041588.db2.gz NFMUSZXKVNYWQQ-UHFFFAOYSA-N 0 0 221.263 2.934 50 0 BFAARN COc1ccc2ccc([C@@H](C)CO)cc2c1 ZINC000167662904 643621881 /nfs/dbraw/zinc/62/18/81/643621881.db2.gz SFQZDMDISBKQMU-JTQLQIEISA-N 0 0 216.280 2.944 50 0 BFAARN C[C@H]1C[C@H]1C(=O)Nc1ccnn1C1CCCCC1 ZINC000012890360 643780656 /nfs/dbraw/zinc/78/06/56/643780656.db2.gz WXFANLOVBLDDNV-CMPLNLGQSA-N 0 0 247.342 2.983 50 0 BFAARN Cc1nc(-c2ccc(NC(=O)C3CC3)cc2)co1 ZINC000012894614 643781562 /nfs/dbraw/zinc/78/15/62/643781562.db2.gz JMCPDEQFJNLVQS-UHFFFAOYSA-N 0 0 242.278 2.999 50 0 BFAARN CCC[C@H](C(=O)NC(C)(C)C)n1cccc1 ZINC000952962929 644446832 /nfs/dbraw/zinc/44/68/32/644446832.db2.gz MHLLBFLDBLFEON-LLVKDONJSA-N 0 0 222.332 2.744 50 0 BFAARN CC(C)c1nnc2sc([C@H]3CC34CCC4)nn21 ZINC000071755296 711088232 /nfs/dbraw/zinc/08/82/32/711088232.db2.gz PGHUVLVTNWQZAC-MRVPVSSYSA-N 0 0 248.355 2.967 50 0 BFAARN C[C@@H]1CNc2ccc(C(F)(F)F)cc2O1 ZINC000147716811 711021144 /nfs/dbraw/zinc/02/11/44/711021144.db2.gz HWVJNARPWQAWGI-ZCFIWIBFSA-N 0 0 217.190 2.898 50 0 BFAARN CC(C)(C)n1cnnc1-c1ccccc1 ZINC000131354624 711544262 /nfs/dbraw/zinc/54/42/62/711544262.db2.gz SXQCUICPALGDDP-UHFFFAOYSA-N 0 0 201.273 2.700 50 0 BFAARN CCC[C@H](C)OC(=O)c1cnc2cnccc2c1 ZINC000888097505 711754908 /nfs/dbraw/zinc/75/49/08/711754908.db2.gz MMDAVRSUBYSAPY-JTQLQIEISA-N 0 0 244.294 2.975 50 0 BFAARN CCC[C@@H](C)OC(=O)c1cnc2cnccc2c1 ZINC000888097506 711755106 /nfs/dbraw/zinc/75/51/06/711755106.db2.gz MMDAVRSUBYSAPY-SNVBAGLBSA-N 0 0 244.294 2.975 50 0 BFAARN Cc1cc2n(n1)S[C@@H](Nc1ccc(C)cc1)N2 ZINC000006966330 711766135 /nfs/dbraw/zinc/76/61/35/711766135.db2.gz VLLYYAUZYOOPRP-LBPRGKRZSA-N 0 0 246.339 2.817 50 0 BFAARN C=CC(=O)N1CCC(c2ccsc2)CC1 ZINC000863971070 711795786 /nfs/dbraw/zinc/79/57/86/711795786.db2.gz DGHLHSNANQUHSQ-UHFFFAOYSA-N 0 0 221.325 2.640 50 0 BFAARN c1cnc(O[C@H]2CCCc3ccccc32)nc1 ZINC000138004474 711797015 /nfs/dbraw/zinc/79/70/15/711797015.db2.gz TXMFNVMSPBQOAE-ZDUSSCGKSA-N 0 0 226.279 2.933 50 0 BFAARN C=CC(=O)N1CCCC[C@H]1c1ccccc1 ZINC000142377172 712342142 /nfs/dbraw/zinc/34/21/42/712342142.db2.gz KAXFYNCRAWYANC-ZDUSSCGKSA-N 0 0 215.296 2.926 50 0 BFAARN CC[C@H](O)c1nccn1CC=C(Cl)Cl ZINC000844236509 957640419 /nfs/dbraw/zinc/64/04/19/957640419.db2.gz JSWOCROBVRGRCY-ZETCQYMHSA-N 0 0 235.114 2.646 50 0 BFAARN Cc1[nH]c2ccccc2c1NC(=O)CC(C)(C)O ZINC000585130437 972167766 /nfs/dbraw/zinc/16/77/66/972167766.db2.gz PZFLSJNZKQJULM-UHFFFAOYSA-N 0 0 246.310 2.576 50 0 BFAARN OCCCn1cnc(-c2ccccc2)c1C1CC1 ZINC000585137579 972168677 /nfs/dbraw/zinc/16/86/77/972168677.db2.gz HQPLIOQWSHTXTN-UHFFFAOYSA-N 0 0 242.322 2.810 50 0 BFAARN CC1(C)C(CNC(=O)C[C@H]2CC2(F)F)C1(C)C ZINC000827801774 968706811 /nfs/dbraw/zinc/70/68/11/968706811.db2.gz FQCJNPHLCTZLBU-QMMMGPOBSA-N 0 0 245.313 2.830 50 0 BFAARN C[C@@H](NC(=O)Cc1cccnc1)C1=CCCCC1 ZINC000827989671 968736472 /nfs/dbraw/zinc/73/64/72/968736472.db2.gz RFYQIXYOBNDOGV-GFCCVEGCSA-N 0 0 244.338 2.629 50 0 BFAARN C[C@H](NC(=O)Cc1cccnc1)C1=CCCCC1 ZINC000827989672 968737614 /nfs/dbraw/zinc/73/76/14/968737614.db2.gz RFYQIXYOBNDOGV-LBPRGKRZSA-N 0 0 244.338 2.629 50 0 BFAARN Cc1ccc(N[C@@H]2CC[C@@H]2O)c(Cl)c1 ZINC000585298743 973909426 /nfs/dbraw/zinc/90/94/26/973909426.db2.gz CHQPLUREDGYDHH-MNOVXSKESA-N 0 0 211.692 2.584 50 0 BFAARN c1csc(OC[C@H]2OCCc3ccccc32)n1 ZINC000585650681 973916917 /nfs/dbraw/zinc/91/69/17/973916917.db2.gz DHAXAUHLHSHMJC-GFCCVEGCSA-N 0 0 247.319 2.836 50 0 BFAARN FC(F)(F)c1ccnc(O[C@@H]2CCSC2)c1 ZINC000585655126 973928355 /nfs/dbraw/zinc/92/83/55/973928355.db2.gz SUGNUQIBZQGWFX-MRVPVSSYSA-N 0 0 249.257 2.985 50 0 BFAARN C=CC(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000952875945 974055714 /nfs/dbraw/zinc/05/57/14/974055714.db2.gz JEPNRVHEAWSHNW-CYBMUJFWSA-N 0 0 215.296 2.845 50 0 BFAARN Cc1ccc(-c2nc(C)nc3c2cnn3C)cc1 ZINC001506408075 988778398 /nfs/dbraw/zinc/77/83/98/988778398.db2.gz VGMXGKXTEXWMLT-UHFFFAOYSA-N 0 0 238.294 2.647 50 0 BFAARN CCCn1nc(C)cc1NC(=O)[C@H]1CC=CCC1 ZINC001506425351 988783326 /nfs/dbraw/zinc/78/33/26/988783326.db2.gz OGRXXRYLXGOESI-LBPRGKRZSA-N 0 0 247.342 2.896 50 0 BFAARN Cc1nc(N2CCOC(C)(C)C2)ccc1Cl ZINC001506423251 988785494 /nfs/dbraw/zinc/78/54/94/988785494.db2.gz DVERLJXSMMWOHA-UHFFFAOYSA-N 0 0 240.734 2.659 50 0 BFAARN COc1nccnc1N[C@@H](C)C1=CCCCC1 ZINC001529144077 990333545 /nfs/dbraw/zinc/33/35/45/990333545.db2.gz HMSKIDFAZUMINO-JTQLQIEISA-N 0 0 233.315 2.786 50 0 BFAARN Cc1cnn(CC(C)C)c1NC(=O)[C@@H]1CC12CC2 ZINC001529161428 990335639 /nfs/dbraw/zinc/33/56/39/990335639.db2.gz IZFFBXOXBRCZOD-NSHDSACASA-N 0 0 247.342 2.586 50 0 BFAARN CCC1(CC)C[C@H]1CNc1nccc(N(C)C)n1 ZINC001529191727 990337869 /nfs/dbraw/zinc/33/78/69/990337869.db2.gz DJQUVJLNUINXJW-NSHDSACASA-N 0 0 248.374 2.781 50 0 BFAARN C[C@H](Nc1ccncc1F)C1=CCCCC1 ZINC001529190118 990338555 /nfs/dbraw/zinc/33/85/55/990338555.db2.gz FFJHQPWBQKXXIG-JTQLQIEISA-N 0 0 220.291 2.943 50 0 BFAARN Cc1cc(C)cc(OCCSc2nc[nH]n2)c1 ZINC000006849619 177912425 /nfs/dbraw/zinc/91/24/25/177912425.db2.gz HKABUHPUGBILPS-UHFFFAOYSA-N 0 0 249.339 2.593 50 0 BFAARN O=C1NCCCC[C@H]1Sc1ccccc1F ZINC000040050607 346807158 /nfs/dbraw/zinc/80/71/58/346807158.db2.gz NGERTLNCMJOFRJ-LLVKDONJSA-N 0 0 239.315 2.587 50 0 BFAARN CCC(CC)(CC)CNC(=O)N1CCCO1 ZINC000225854288 168314087 /nfs/dbraw/zinc/31/40/87/168314087.db2.gz JWFVJAKNVDBMJA-UHFFFAOYSA-N 0 0 228.336 2.550 50 0 BFAARN Cc1cc(C)nc(NC(=O)C2C(C)(C)C2(C)C)n1 ZINC000071415949 177939558 /nfs/dbraw/zinc/93/95/58/177939558.db2.gz UKBUYDJHVQKXBC-UHFFFAOYSA-N 0 0 247.342 2.714 50 0 BFAARN C=CC(=O)Nc1cc(Br)ccc1F ZINC000036335005 343978875 /nfs/dbraw/zinc/97/88/75/343978875.db2.gz QSRFSNVLPVVNME-UHFFFAOYSA-N 0 0 244.063 2.713 50 0 BFAARN CCCC[C@@H](NC(C)=O)c1nc2ccccc2[nH]1 ZINC000001926998 398146298 /nfs/dbraw/zinc/14/62/98/398146298.db2.gz VLULDFKKUDHYHH-CYBMUJFWSA-N 0 0 245.326 2.930 50 0 BFAARN Cc1cc(CO)cc(C(F)(F)F)c1F ZINC000091252065 178046195 /nfs/dbraw/zinc/04/61/95/178046195.db2.gz XVYKBFIHKYRUPA-UHFFFAOYSA-N 0 0 208.154 2.645 50 0 BFAARN Cc1cc(COC(=O)c2ccc(C)c(F)c2)no1 ZINC000058228408 178046969 /nfs/dbraw/zinc/04/69/69/178046969.db2.gz FEAOZCPGXUYXDQ-UHFFFAOYSA-N 0 0 249.241 2.788 50 0 BFAARN Cc1cc(CSCc2cc(C)on2)on1 ZINC000071844481 178051683 /nfs/dbraw/zinc/05/16/83/178051683.db2.gz HMLIGYQOTVTXNN-UHFFFAOYSA-N 0 0 224.285 2.713 50 0 BFAARN Cc1cc(CSc2ccncc2)on1 ZINC000089608723 178053197 /nfs/dbraw/zinc/05/31/97/178053197.db2.gz SSAHGHXQQJLQCX-UHFFFAOYSA-N 0 0 206.270 2.670 50 0 BFAARN Cc1onc(-c2ccccc2)c1[C@@H](C)O ZINC000071789946 398161502 /nfs/dbraw/zinc/16/15/02/398161502.db2.gz DAQOOSLMUWKCQM-MRVPVSSYSA-N 0 0 203.241 2.703 50 0 BFAARN Cc1cc(Cn2ccnc2-c2cccs2)no1 ZINC000097037359 178074420 /nfs/dbraw/zinc/07/44/20/178074420.db2.gz AYNSDHWMTXATJL-UHFFFAOYSA-N 0 0 245.307 2.956 50 0 BFAARN Cc1cc(Cl)ccc1OCc1cc(=O)[nH][nH]1 ZINC000004386574 178069766 /nfs/dbraw/zinc/06/97/66/178069766.db2.gz PGGDSDBAWPQICC-UHFFFAOYSA-N 0 0 238.674 2.656 50 0 BFAARN Cc1cc(F)c(F)c(C(=O)NC2CC2)c1Cl ZINC000002864478 178075797 /nfs/dbraw/zinc/07/57/97/178075797.db2.gz NASRHFROZNPEAF-UHFFFAOYSA-N 0 0 245.656 2.819 50 0 BFAARN Cc1cc(N(C)C)cc(C)c1NCc1cc[nH]n1 ZINC000097137879 178095062 /nfs/dbraw/zinc/09/50/62/178095062.db2.gz QWNOCRAQSMEQEP-UHFFFAOYSA-N 0 0 244.342 2.705 50 0 BFAARN Cc1cc(N(C)C)ccc1NC(=O)c1ccco1 ZINC000040111575 178095180 /nfs/dbraw/zinc/09/51/80/178095180.db2.gz KTVLEJDOCWNNPB-UHFFFAOYSA-N 0 0 244.294 2.906 50 0 BFAARN Cc1cc(N)ccc1NC(=O)Cc1ccccc1 ZINC000000569998 178105972 /nfs/dbraw/zinc/10/59/72/178105972.db2.gz NTBLDANBEAWSIR-UHFFFAOYSA-N 0 0 240.306 2.758 50 0 BFAARN Cc1cc(N)nc(SCc2cccc(F)c2)n1 ZINC000007048778 178109594 /nfs/dbraw/zinc/10/95/94/178109594.db2.gz HIQAYIBXDZFUOW-UHFFFAOYSA-N 0 0 249.314 2.799 50 0 BFAARN Cc1cc(N2CCCC2)c(C)cc1C=O ZINC000000612804 178113498 /nfs/dbraw/zinc/11/34/98/178113498.db2.gz IAYYUJCKCOLIAQ-UHFFFAOYSA-N 0 0 203.285 2.716 50 0 BFAARN Cc1cc(NC(=O)CC(C2CC2)C2CC2)no1 ZINC000049174973 178126519 /nfs/dbraw/zinc/12/65/19/178126519.db2.gz CWDKWJFVCXCLCK-UHFFFAOYSA-N 0 0 234.299 2.748 50 0 BFAARN Cc1cc(NC(=O)CCc2ccco2)sn1 ZINC000096449170 178128763 /nfs/dbraw/zinc/12/87/63/178128763.db2.gz SLVSTKNWHOJGDL-UHFFFAOYSA-N 0 0 236.296 2.616 50 0 BFAARN Cc1cc(NC(=O)CCCc2ccccc2)no1 ZINC000000339817 178129050 /nfs/dbraw/zinc/12/90/50/178129050.db2.gz RQUBJHMSOJFJDO-UHFFFAOYSA-N 0 0 244.294 2.944 50 0 BFAARN Cc1cc(NC(=O)CSC(C)(C)C)sn1 ZINC000096449155 178132065 /nfs/dbraw/zinc/13/20/65/178132065.db2.gz BEECXZIWNFIDOX-UHFFFAOYSA-N 0 0 244.385 2.922 50 0 BFAARN Cc1cc(NC(=O)Cc2ccc(C)c(C)c2)on1 ZINC000013597007 178134258 /nfs/dbraw/zinc/13/42/58/178134258.db2.gz CBHXPKBJTNRHHY-UHFFFAOYSA-N 0 0 244.294 2.781 50 0 BFAARN Cc1cc(NC(=O)Cc2ccc(Cl)cc2)n[nH]1 ZINC000047555473 178134858 /nfs/dbraw/zinc/13/48/58/178134858.db2.gz KIOHWSCXXZDWRC-UHFFFAOYSA-N 0 0 249.701 2.553 50 0 BFAARN Cc1cc(NC(=O)[C@H](C)c2ccccc2)no1 ZINC000085423502 178146412 /nfs/dbraw/zinc/14/64/12/178146412.db2.gz ZAZINBJTGAGIRT-SNVBAGLBSA-N 0 0 230.267 2.725 50 0 BFAARN Cc1cc(NC(=O)c2c(F)cccc2F)no1 ZINC000002380894 178149330 /nfs/dbraw/zinc/14/93/30/178149330.db2.gz ASUKHYBSPPHBKO-UHFFFAOYSA-N 0 0 238.193 2.514 50 0 BFAARN CCc1c(-c2cc(F)ccc2OC)cnn1C ZINC000426716130 398218634 /nfs/dbraw/zinc/21/86/34/398218634.db2.gz PXRHFDXYSROGED-UHFFFAOYSA-N 0 0 234.274 2.797 50 0 BFAARN Cc1cc(NC[C@@H](C)c2ccccc2)nn1C ZINC000020351662 178165399 /nfs/dbraw/zinc/16/53/99/178165399.db2.gz TYKCTZXRYXXRAG-LLVKDONJSA-N 0 0 229.327 2.944 50 0 BFAARN Cc1nccc(NC(=O)N[C@H]2C[C@@H]2C)c1Cl ZINC000097096185 398225090 /nfs/dbraw/zinc/22/50/90/398225090.db2.gz JLSZEEULSNZDHA-RCOVLWMOSA-N 0 0 239.706 2.573 50 0 BFAARN O=c1oc2ccccc2cc1Br ZINC000000610235 259300863 /nfs/dbraw/zinc/30/08/63/259300863.db2.gz DZCTYFCCOGXULA-UHFFFAOYSA-N 0 0 225.041 2.556 50 0 BFAARN Cc1cc(=O)n(-c2ccc(C)c(C)c2)[nH]1 ZINC000100072421 178200315 /nfs/dbraw/zinc/20/03/15/178200315.db2.gz NZIOWLDKKHIQHG-UHFFFAOYSA-N 0 0 202.257 2.503 50 0 BFAARN Cc1cc(=O)n2cc(-c3ccc(F)cc3)nc2[nH]1 ZINC000100919975 178200991 /nfs/dbraw/zinc/20/09/91/178200991.db2.gz AIFOLHBSEJZWRH-UHFFFAOYSA-N 0 0 243.241 2.549 50 0 BFAARN Cc1cc(=O)n(-c2cccc(Cl)c2)[nH]1 ZINC000105850897 178201255 /nfs/dbraw/zinc/20/12/55/178201255.db2.gz LLCDODWJUNKEFS-UHFFFAOYSA-N 0 0 208.648 2.540 50 0 BFAARN c1c[nH]c(SCOCc2ccccc2)n1 ZINC000170594950 361769161 /nfs/dbraw/zinc/76/91/61/361769161.db2.gz KCLFYGISNCEUNV-UHFFFAOYSA-N 0 0 220.297 2.676 50 0 BFAARN Cc1noc(C)c1CSc1cc(C)nc(C)n1 ZINC000040060508 178218600 /nfs/dbraw/zinc/21/86/00/178218600.db2.gz PKNLTVJWCFOTTQ-UHFFFAOYSA-N 0 0 249.339 2.991 50 0 BFAARN Cc1noc(C)c1CSc1cc(C)ncn1 ZINC000011903004 178218689 /nfs/dbraw/zinc/21/86/89/178218689.db2.gz ROKHJFVYDKKVDA-UHFFFAOYSA-N 0 0 235.312 2.682 50 0 BFAARN Cc1occc1Sc1cc(C)ncn1 ZINC000097162965 178219900 /nfs/dbraw/zinc/21/99/00/178219900.db2.gz LFXZVQVUDRFNDS-UHFFFAOYSA-N 0 0 206.270 2.838 50 0 BFAARN CC(C)(C)c1ccc(COn2ccnc2)cc1 ZINC000001406284 398232930 /nfs/dbraw/zinc/23/29/30/398232930.db2.gz DXWYPOLRGKWBOK-UHFFFAOYSA-N 0 0 230.311 2.809 50 0 BFAARN CCC(=O)Nc1ncc(C(F)(F)F)s1 ZINC000277187314 538934064 /nfs/dbraw/zinc/93/40/64/538934064.db2.gz MUYCWOUXCBXTLB-UHFFFAOYSA-N 0 0 224.207 2.510 50 0 BFAARN Cc1nc(C)c(CNc2ncccc2F)s1 ZINC000097104678 398231592 /nfs/dbraw/zinc/23/15/92/398231592.db2.gz ALFKVWDBTIWMMO-UHFFFAOYSA-N 0 0 237.303 2.906 50 0 BFAARN CCC(CC)CNC(=O)N[C@H](C)c1cccnc1 ZINC000105087624 168357674 /nfs/dbraw/zinc/35/76/74/168357674.db2.gz UTLBOVDSUGBPIS-LLVKDONJSA-N 0 0 249.358 2.878 50 0 BFAARN CCc1cnc(NCc2c(C)n[nH]c2C)s1 ZINC000097114518 398237989 /nfs/dbraw/zinc/23/79/89/398237989.db2.gz TYFVJFUXYOFEOX-UHFFFAOYSA-N 0 0 236.344 2.658 50 0 BFAARN Cc1cc([C@H]2CCN(C(=O)C(F)F)C2)cs1 ZINC000328587336 178265951 /nfs/dbraw/zinc/26/59/51/178265951.db2.gz DRTUZFCCNOPZEF-QMMMGPOBSA-N 0 0 245.294 2.638 50 0 BFAARN Cc1cc2c(cc1Br)CCC2=O ZINC000221705332 178284448 /nfs/dbraw/zinc/28/44/48/178284448.db2.gz HLJKVJLEAGJIDK-UHFFFAOYSA-N 0 0 225.085 2.886 50 0 BFAARN Cc1ccc2c(c1)OCCN2Cc1cncs1 ZINC000097143309 398245116 /nfs/dbraw/zinc/24/51/16/398245116.db2.gz OKXXDCWHPWKDMH-UHFFFAOYSA-N 0 0 246.335 2.851 50 0 BFAARN Cc1cc2ccccc2n1CC(=O)NCC(C)C ZINC000001643122 178297112 /nfs/dbraw/zinc/29/71/12/178297112.db2.gz XZDHSTZDTPPODL-UHFFFAOYSA-N 0 0 244.338 2.722 50 0 BFAARN Cc1cc2ccccn2c1C(=O)c1cccnc1 ZINC000003342659 178298568 /nfs/dbraw/zinc/29/85/68/178298568.db2.gz SXYDYYKZXHIRKW-UHFFFAOYSA-N 0 0 236.274 2.874 50 0 BFAARN Cc1cc2nc(C(F)F)cc(C(F)F)n2n1 ZINC000002744073 178300741 /nfs/dbraw/zinc/30/07/41/178300741.db2.gz FETWPXACVLGUAA-UHFFFAOYSA-N 0 0 233.168 2.913 50 0 BFAARN Cc1cc2c(ncn2C(C)C)c(N)c1C ZINC000001388498 178293136 /nfs/dbraw/zinc/29/31/36/178293136.db2.gz JSDJDEZOUUPUON-UHFFFAOYSA-N 0 0 203.289 2.816 50 0 BFAARN Cc1ccc(-c2cc(C(=O)NC(C)C)[nH]n2)s1 ZINC000032794944 178318495 /nfs/dbraw/zinc/31/84/95/178318495.db2.gz IKYCUGRSNZBLAC-UHFFFAOYSA-N 0 0 249.339 2.585 50 0 BFAARN Cc1nnc2sc(-c3ccc(C)cc3C)nn12 ZINC000000385095 178339958 /nfs/dbraw/zinc/33/99/58/178339958.db2.gz FFNGGGWJIAEUIC-UHFFFAOYSA-N 0 0 244.323 2.778 50 0 BFAARN Cc1ccc(-c2nnc(C)c(NC3CC3)n2)cc1 ZINC000065195820 178340100 /nfs/dbraw/zinc/34/01/00/178340100.db2.gz PZVPTYCSRNVRRA-UHFFFAOYSA-N 0 0 240.310 2.730 50 0 BFAARN Cc1ccc(-c2nnc3n2CCCS3)cc1 ZINC000000384834 178341815 /nfs/dbraw/zinc/34/18/15/178341815.db2.gz DGQRNHQPXCIBJX-UHFFFAOYSA-N 0 0 231.324 2.749 50 0 BFAARN C=C1c2ccccc2NC(=O)N1C[C@@H]1CCCO1 ZINC000025060734 538946815 /nfs/dbraw/zinc/94/68/15/538946815.db2.gz WRUZACDDHTYXFD-NSHDSACASA-N 0 0 244.294 2.684 50 0 BFAARN Cc1ccc(-n2cc(Cl)ccc2=O)cc1 ZINC000032919140 178346157 /nfs/dbraw/zinc/34/61/57/178346157.db2.gz VZUQKEKAIVQGEW-UHFFFAOYSA-N 0 0 219.671 2.799 50 0 BFAARN Cc1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000003122425 178347398 /nfs/dbraw/zinc/34/73/98/178347398.db2.gz BCDBXRGJKSUXCT-UHFFFAOYSA-N 0 0 236.274 2.694 50 0 BFAARN Cc1ccc(-c2nnc(-c3ccncc3)[nH]2)cc1 ZINC000006701519 178331145 /nfs/dbraw/zinc/33/11/45/178331145.db2.gz LALZUKLCQLDZJW-UHFFFAOYSA-N 0 0 236.278 2.842 50 0 BFAARN Cc1ccc(-c2csc3nc(CO)cn23)cc1 ZINC000009238378 178331413 /nfs/dbraw/zinc/33/14/13/178331413.db2.gz NMIONARWIMFPRK-UHFFFAOYSA-N 0 0 244.319 2.864 50 0 BFAARN Cc1ccc(/C=C\C(=O)O[C@@H]2CCCCC2=O)o1 ZINC000006812495 178357904 /nfs/dbraw/zinc/35/79/04/178357904.db2.gz UFEPNFIFLMIIJK-LJTDUEICSA-N 0 0 248.278 2.656 50 0 BFAARN Cc1cc(CN(C)C(=O)c2ccc(C)cc2)no1 ZINC000040505351 178378630 /nfs/dbraw/zinc/37/86/30/178378630.db2.gz VODPLGMBMWZHMO-UHFFFAOYSA-N 0 0 244.294 2.564 50 0 BFAARN Cc1nn(CN2CCC[C@H](C)C2)c(=S)s1 ZINC000033029232 538951292 /nfs/dbraw/zinc/95/12/92/538951292.db2.gz JOGXSCJRHJXTGK-QMMMGPOBSA-N 0 0 243.401 2.672 50 0 BFAARN C[C@H]1CCCCN1c1cc(=S)[nH]cn1 ZINC000033268135 538951647 /nfs/dbraw/zinc/95/16/47/538951647.db2.gz SAQGGYNKJAPKHR-QMMMGPOBSA-N 0 0 209.318 2.518 50 0 BFAARN Cc1ccc(C(=O)N2CCCCCCC2)cn1 ZINC000032895660 178385368 /nfs/dbraw/zinc/38/53/68/178385368.db2.gz VRWMOIMJWJCZJT-UHFFFAOYSA-N 0 0 232.327 2.796 50 0 BFAARN Cc1ccc(C(=O)N2CCC[C@H](C)C2)s1 ZINC000033023545 178389045 /nfs/dbraw/zinc/38/90/45/178389045.db2.gz YVNRFJVSYLPTBY-VIFPVBQESA-N 0 0 223.341 2.929 50 0 BFAARN Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cn1 ZINC000089652187 178389504 /nfs/dbraw/zinc/38/95/04/178389504.db2.gz ACQBUCQOLVGCQZ-GXTWGEPZSA-N 0 0 244.338 2.795 50 0 BFAARN Cc1ccc(C(=O)NCc2cccs2)o1 ZINC000002749970 178417096 /nfs/dbraw/zinc/41/70/96/178417096.db2.gz NILRXMRDTZBXFB-UHFFFAOYSA-N 0 0 221.281 2.580 50 0 BFAARN O=C1CS[C@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000000099920 342674352 /nfs/dbraw/zinc/67/43/52/342674352.db2.gz BVOSQEUUTGDSKB-SECBINFHSA-N 0 0 248.134 2.855 50 0 BFAARN O=C(Oc1ccc(-c2csnn2)cc1)C1CC1 ZINC000000106873 342674600 /nfs/dbraw/zinc/67/46/00/342674600.db2.gz XKVMCVYMUPOOFR-UHFFFAOYSA-N 0 0 246.291 2.521 50 0 BFAARN CC[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC000000126188 342676143 /nfs/dbraw/zinc/67/61/43/342676143.db2.gz OLOWHVKHONPEBQ-MRVPVSSYSA-N 0 0 211.692 2.868 50 0 BFAARN CCCC(=O)Nc1cc(C)ccc1OC ZINC000000145334 342677061 /nfs/dbraw/zinc/67/70/61/342677061.db2.gz NCTZFNKJAGEUEI-UHFFFAOYSA-N 0 0 207.273 2.742 50 0 BFAARN Cc1ccc2oc(=O)n(CC(=O)C(C)(C)C)c2c1 ZINC000000148230 342677083 /nfs/dbraw/zinc/67/70/83/342677083.db2.gz DTKWDQVDPOQEIX-UHFFFAOYSA-N 0 0 247.294 2.518 50 0 BFAARN O=c1cc(-c2ccccn2)c2ccc(O)cc2o1 ZINC000000153922 342677318 /nfs/dbraw/zinc/67/73/18/342677318.db2.gz WJXWVAVFUWNSBN-UHFFFAOYSA-N 0 0 239.230 2.561 50 0 BFAARN Nc1cc(C(F)(F)F)cc(Cl)c1N ZINC000000152845 342677437 /nfs/dbraw/zinc/67/74/37/342677437.db2.gz NVNLHLRVSHJKBN-UHFFFAOYSA-N 0 0 210.586 2.523 50 0 BFAARN CCc1ccnc(NC(=O)c2ccccc2)c1 ZINC000000151164 342677456 /nfs/dbraw/zinc/67/74/56/342677456.db2.gz PBTUIOZXBNWHSW-UHFFFAOYSA-N 0 0 226.279 2.896 50 0 BFAARN CC(=O)Oc1ccc(C(F)(F)F)cc1 ZINC000000157737 342677875 /nfs/dbraw/zinc/67/78/75/342677875.db2.gz DPPGVFHHZGVZED-UHFFFAOYSA-N 0 0 204.147 2.631 50 0 BFAARN Cc1c(Br)cnn1-c1ccccc1 ZINC000000158820 342678072 /nfs/dbraw/zinc/67/80/72/342678072.db2.gz GRERYMFLSYSEAY-UHFFFAOYSA-N 0 0 237.100 2.943 50 0 BFAARN COC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000000162649 342678420 /nfs/dbraw/zinc/67/84/20/342678420.db2.gz UXIVINXAZVEIMC-UHFFFAOYSA-N 0 0 228.675 2.670 50 0 BFAARN Nc1ccc(-c2nc3ccc(N)cc3o2)cc1 ZINC000000191078 342679654 /nfs/dbraw/zinc/67/96/54/342679654.db2.gz IBKFNGCWUPNUHY-UHFFFAOYSA-N 0 0 225.251 2.659 50 0 aggregator,in-vitro BFAARN CC[C@]1(C)C[C@@H](c2csc(N)n2)CCO1 ZINC000000207016 342680151 /nfs/dbraw/zinc/68/01/51/342680151.db2.gz AECHTYJNUUZQBK-GZMMTYOYSA-N 0 0 226.345 2.788 50 0 BFAARN CCC(CC)NC(=O)Cc1ccc(F)cc1 ZINC000000303422 168378729 /nfs/dbraw/zinc/37/87/29/168378729.db2.gz CLNPWQCCQGZBIL-UHFFFAOYSA-N 0 0 223.291 2.673 50 0 BFAARN Nc1ccc(O)c(-c2nc3ccccc3[nH]2)c1 ZINC000000246170 342681144 /nfs/dbraw/zinc/68/11/44/342681144.db2.gz JKSYIKAAFVWVRO-UHFFFAOYSA-N 0 0 225.251 2.518 50 0 BFAARN CCCc1noc(-c2ccc(OC)c(OC)c2)n1 ZINC000000247678 342681329 /nfs/dbraw/zinc/68/13/29/342681329.db2.gz MLKCZCWHZQALPV-UHFFFAOYSA-N 0 0 248.282 2.706 50 0 BFAARN O=C(c1ccco1)N1CC[C@@H](c2ccccc2)C1 ZINC000000260766 342681610 /nfs/dbraw/zinc/68/16/10/342681610.db2.gz WCDZIHJPPNZQLG-CYBMUJFWSA-N 0 0 241.290 2.909 50 0 BFAARN FC(F)(F)c1nc2c(ccc3nsnc32)[nH]1 ZINC000000281764 342682157 /nfs/dbraw/zinc/68/21/57/342682157.db2.gz PCEQNTAYYJETDA-UHFFFAOYSA-N 0 0 244.201 2.586 50 0 BFAARN CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000000301260 342682898 /nfs/dbraw/zinc/68/28/98/342682898.db2.gz TZBSBJOHRGVDKB-NWDGAFQWSA-N 0 0 217.312 2.705 50 0 BFAARN Cc1cccc(C(=O)Nc2nc(C)cc(C)n2)c1 ZINC000000321513 342683292 /nfs/dbraw/zinc/68/32/92/342683292.db2.gz DURXHCWSWUSALT-UHFFFAOYSA-N 0 0 241.294 2.654 50 0 BFAARN CC[C@@H](C)NC(=O)COc1ccc(C)c(C)c1 ZINC000000318554 342683363 /nfs/dbraw/zinc/68/33/63/342683363.db2.gz QOBFOIOBXGQEGF-GFCCVEGCSA-N 0 0 235.327 2.597 50 0 BFAARN Nc1cccc(-c2cnc3ccccc3n2)c1 ZINC000000317562 342683367 /nfs/dbraw/zinc/68/33/67/342683367.db2.gz FTKCJWKPAZRHTL-UHFFFAOYSA-N 0 0 221.263 2.879 50 0 BFAARN Nc1ccc(C2=CSC3=NCCCCN23)cc1 ZINC000000337028 342683886 /nfs/dbraw/zinc/68/38/86/342683886.db2.gz QNWFWBOEARAHFB-UHFFFAOYSA-N 0 0 245.351 2.766 50 0 BFAARN O=S1(=O)[C@@H]2CCC[C@H]1C=C2Cc1ccccc1 ZINC000000345382 342684276 /nfs/dbraw/zinc/68/42/76/342684276.db2.gz FIEQUNLYMBGYDG-UONOGXRCSA-N 0 0 248.347 2.505 50 0 BFAARN Cc1ccc(NC(=O)c2ccc(F)cc2)nc1 ZINC000000362800 342684817 /nfs/dbraw/zinc/68/48/17/342684817.db2.gz FVOHJIYCTRVAMA-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccccc1OC ZINC000000365438 342685185 /nfs/dbraw/zinc/68/51/85/342685185.db2.gz NTSGYPDPZDEYJM-SECBINFHSA-N 0 0 207.273 2.680 50 0 BFAARN Cc1ccc(SCC(=O)NC(C)C)cc1 ZINC000000379918 342685361 /nfs/dbraw/zinc/68/53/61/342685361.db2.gz DTWXTBWVWVULDH-UHFFFAOYSA-N 0 0 223.341 2.612 50 0 BFAARN O=C(c1cnc2sccn12)c1ccc(F)cc1 ZINC000000390177 342685926 /nfs/dbraw/zinc/68/59/26/342685926.db2.gz OTBQRAAYLXSZPI-UHFFFAOYSA-N 0 0 246.266 2.766 50 0 BFAARN CCCc1oc(C(=O)[O-])cc1C[NH+](CC)CC ZINC000000528519 342689382 /nfs/dbraw/zinc/68/93/82/342689382.db2.gz PYAYAKBIZGSEPN-UHFFFAOYSA-N 0 0 239.315 2.772 50 0 BFAARN O=c1c2ccc(Cl)cc2nc2n1CCCCC2 ZINC000000396012 342686294 /nfs/dbraw/zinc/68/62/94/342686294.db2.gz GXAOGWQBVDMAMQ-UHFFFAOYSA-N 0 0 248.713 2.776 50 0 BFAARN O=C(OCCc1ccccc1)c1ccccc1O ZINC000000397608 342686437 /nfs/dbraw/zinc/68/64/37/342686437.db2.gz YNMSDIQQNIRGDP-UHFFFAOYSA-N 0 0 242.274 2.792 50 0 endogenous,in-man BFAARN COC(=O)Nc1ccc(Br)cc1 ZINC000000397376 342686446 /nfs/dbraw/zinc/68/64/46/342686446.db2.gz GLRFFVNPNGTCSW-UHFFFAOYSA-N 0 0 230.061 2.627 50 0 BFAARN O=S(=O)(c1ccccc1)C1CCCCC1 ZINC000000399783 342686459 /nfs/dbraw/zinc/68/64/59/342686459.db2.gz GCNSHAQTYKVLHX-UHFFFAOYSA-N 0 0 224.325 2.793 50 0 BFAARN Cc1ccnc(NC(=O)c2ccccc2F)c1 ZINC000000408632 342686934 /nfs/dbraw/zinc/68/69/34/342686934.db2.gz NHMLXMSPKDUJPG-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN CC(C)(C)C(=O)N1C(=O)OC[C@H]1c1ccccc1 ZINC000000407530 342686966 /nfs/dbraw/zinc/68/69/66/342686966.db2.gz RCYGSFKQQKHMBE-NSHDSACASA-N 0 0 247.294 2.753 50 0 BFAARN Clc1cnc(NCc2ccccc2)nc1 ZINC000000406529 342687012 /nfs/dbraw/zinc/68/70/12/342687012.db2.gz QEUOFWQMVNLKPM-UHFFFAOYSA-N 0 0 219.675 2.742 50 0 BFAARN Fc1cc(F)c(Br)cc1F ZINC000000407105 342687092 /nfs/dbraw/zinc/68/70/92/342687092.db2.gz DVTULTINXNWGJY-UHFFFAOYSA-N 0 0 210.980 2.866 50 0 BFAARN C[C@@]1(c2ccc(Cl)cc2)CCOCO1 ZINC000000410050 342687236 /nfs/dbraw/zinc/68/72/36/342687236.db2.gz QAGPRQYGZQGOFH-NSHDSACASA-N 0 0 212.676 2.950 50 0 BFAARN O=C(c1cc(F)c(F)cc1Cl)N1CCCC1 ZINC000000444410 342687858 /nfs/dbraw/zinc/68/78/58/342687858.db2.gz NNOOQKRRKQQTBZ-UHFFFAOYSA-N 0 0 245.656 2.854 50 0 BFAARN Cc1csc(NC(=O)Cc2ccc(C)cc2)n1 ZINC000000463563 342687974 /nfs/dbraw/zinc/68/79/74/342687974.db2.gz VVNSHGKSWQGQKC-UHFFFAOYSA-N 0 0 246.335 2.941 50 0 BFAARN CC(C)(C)c1ccc(C(=O)n2cccn2)cc1 ZINC000000475613 342688211 /nfs/dbraw/zinc/68/82/11/342688211.db2.gz WBDAZWSZXQTHIQ-UHFFFAOYSA-N 0 0 228.295 2.869 50 0 BFAARN CCCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000000470607 342688263 /nfs/dbraw/zinc/68/82/63/342688263.db2.gz JXWBUSRFJZZEDB-UHFFFAOYSA-N 0 0 221.344 2.727 50 0 BFAARN CCN(C(=O)c1cccnc1)c1ccccc1 ZINC000000029167 342669916 /nfs/dbraw/zinc/66/99/16/342669916.db2.gz JNYWCOMKUGQILI-UHFFFAOYSA-N 0 0 226.279 2.748 50 0 BFAARN Cc1onc(-c2ccccc2)c1C(=O)NC1CC1 ZINC000000483804 342688860 /nfs/dbraw/zinc/68/88/60/342688860.db2.gz HCUIEGLRDNPODU-UHFFFAOYSA-N 0 0 242.278 2.542 50 0 BFAARN CCOc1ccccc1C(=O)Nc1cc(C)on1 ZINC000000037392 342670598 /nfs/dbraw/zinc/67/05/98/342670598.db2.gz LUKUPBBUHKIYLV-UHFFFAOYSA-N 0 0 246.266 2.634 50 0 BFAARN CCOc1ccccc1C(=O)NCc1ccco1 ZINC000000048831 342671186 /nfs/dbraw/zinc/67/11/86/342671186.db2.gz QRNSYTDBDNZDGG-UHFFFAOYSA-N 0 0 245.278 2.608 50 0 BFAARN CN(C)c1cccc2cccc(N(C)C)c21 ZINC000000056476 342671839 /nfs/dbraw/zinc/67/18/39/342671839.db2.gz GJFNRSDCSTVPCJ-UHFFFAOYSA-N 0 0 214.312 2.972 50 0 in-vitro BFAARN CCOc1ccc2oc(=O)cc(C)c2c1 ZINC000000058025 342672143 /nfs/dbraw/zinc/67/21/43/342672143.db2.gz CAJUPFPBROFVEL-UHFFFAOYSA-N 0 0 204.225 2.500 50 0 BFAARN O=C(c1cccc(Cl)c1)N1CCCCC1 ZINC000000580872 342690735 /nfs/dbraw/zinc/69/07/35/342690735.db2.gz PJLBZXIQWMUMSC-UHFFFAOYSA-N 0 0 223.703 2.966 50 0 BFAARN CCSc1ccccc1C(=O)NC(C)C ZINC000000713335 342691991 /nfs/dbraw/zinc/69/19/91/342691991.db2.gz HXJVLIDIGURGOH-UHFFFAOYSA-N 0 0 223.341 2.937 50 0 BFAARN CC(C)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000000795772 342692611 /nfs/dbraw/zinc/69/26/11/342692611.db2.gz PXCLNKBNRLHPQH-UHFFFAOYSA-N 0 0 247.323 2.800 50 0 BFAARN CC(C)C(=O)Nc1cnc2ccccc2c1 ZINC000000781947 342692816 /nfs/dbraw/zinc/69/28/16/342692816.db2.gz UZUMJHSXEDRTRV-UHFFFAOYSA-N 0 0 214.268 2.829 50 0 BFAARN Nc1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000000801192 342692867 /nfs/dbraw/zinc/69/28/67/342692867.db2.gz KKOQKLYAXIRIHT-UHFFFAOYSA-N 0 0 237.306 2.930 50 0 BFAARN CC(C)(C)C(=O)Nc1ccc(F)c(F)c1 ZINC000000859636 342693881 /nfs/dbraw/zinc/69/38/81/342693881.db2.gz GDCSMKQNTXLXRD-UHFFFAOYSA-N 0 0 213.227 2.949 50 0 BFAARN Nc1ccc(C(=O)c2cccs2)cc1 ZINC000001013309 342695866 /nfs/dbraw/zinc/69/58/66/342695866.db2.gz SZVBEQYGAAQDTR-UHFFFAOYSA-N 0 0 203.266 2.561 50 0 BFAARN COC(=O)N=c1[nH]c2c(cccc2C)s1 ZINC000001055144 342696535 /nfs/dbraw/zinc/69/65/35/342696535.db2.gz UXVQNUSTCPAWRV-UHFFFAOYSA-N 0 0 222.269 2.783 50 0 BFAARN Clc1ccc(NC2CCCCC2)nn1 ZINC000001346276 342699478 /nfs/dbraw/zinc/69/94/78/342699478.db2.gz PMMCLFWZCPFXAP-UHFFFAOYSA-N 0 0 211.696 2.875 50 0 BFAARN Nc1nc(Cl)cc(Sc2ccccc2)n1 ZINC000001398029 342699926 /nfs/dbraw/zinc/69/99/26/342699926.db2.gz KWDQLMWAIZBFND-UHFFFAOYSA-N 0 0 237.715 2.863 50 0 BFAARN CC[C@H]1CSC(Nc2ccc(OC)cc2)=N1 ZINC000001440108 342701275 /nfs/dbraw/zinc/70/12/75/342701275.db2.gz UVFSATDTIMWDEQ-VIFPVBQESA-N 0 0 236.340 2.989 50 0 BFAARN CCC1=NC[C@@H]2c3cccc(OC)c3O[C@]12C ZINC000096027953 342701481 /nfs/dbraw/zinc/70/14/81/342701481.db2.gz HLFISRJGUDVBPT-YGRLFVJLSA-N 0 0 231.295 2.795 50 0 BFAARN CCC1=NC[C@@H]2c3cccc(OC)c3O[C@@]12C ZINC000096027955 342701487 /nfs/dbraw/zinc/70/14/87/342701487.db2.gz HLFISRJGUDVBPT-QMTHXVAHSA-N 0 0 231.295 2.795 50 0 BFAARN O=C(c1ccc(Cl)cc1)c1ccccn1 ZINC000001663910 342707351 /nfs/dbraw/zinc/70/73/51/342707351.db2.gz KHXSJSBQIWAIEG-UHFFFAOYSA-N 0 0 217.655 2.966 50 0 BFAARN Clc1ccc(Oc2ccccc2)nn1 ZINC000001661981 342707428 /nfs/dbraw/zinc/70/74/28/342707428.db2.gz VPVVMGVIGYPNDM-UHFFFAOYSA-N 0 0 206.632 2.922 50 0 BFAARN CC(C)n1cc([C@@H](O)C[NH+](C)C)c2ccccc21 ZINC000001670315 342707703 /nfs/dbraw/zinc/70/77/03/342707703.db2.gz VPRQHZDGYWSBRF-HNNXBMFYSA-N 0 0 246.354 2.817 50 0 BFAARN O=S1c2ccccc2-c2ccccc21 ZINC000001688627 342709352 /nfs/dbraw/zinc/70/93/52/342709352.db2.gz NGDPCAMPVQYGCW-UHFFFAOYSA-N 0 0 200.262 2.834 50 0 in-vitro BFAARN COc1ccc(C(=O)c2ccccc2)cc1OC ZINC000001728424 342711430 /nfs/dbraw/zinc/71/14/30/342711430.db2.gz WCNOATOQNSHEFK-UHFFFAOYSA-N 0 0 242.274 2.935 50 0 BFAARN CC(C)(O)Cc1ccc(Br)cc1 ZINC000001765844 342712543 /nfs/dbraw/zinc/71/25/43/342712543.db2.gz GXRFHTZJNUGYSI-UHFFFAOYSA-N 0 0 229.117 2.763 50 0 BFAARN O=C1c2ccccc2COc2ccc(O)cc21 ZINC000000041170 398277270 /nfs/dbraw/zinc/27/72/70/398277270.db2.gz SAQGGUMGWGCEHW-UHFFFAOYSA-N 0 0 226.231 2.516 50 0 BFAARN Cc1csc2c1cccc2OS(C)(=O)=O ZINC000002022925 342714682 /nfs/dbraw/zinc/71/46/82/342714682.db2.gz ZCPRWDNAAFEOMU-UHFFFAOYSA-N 0 0 242.321 2.548 50 0 BFAARN Nc1ccccc1C(=O)OC1CCCCC1 ZINC000002036801 342714868 /nfs/dbraw/zinc/71/48/68/342714868.db2.gz KFEZETDKFSMLMG-UHFFFAOYSA-N 0 0 219.284 2.758 50 0 endogenous,in-man BFAARN CCCCOCCOCCOCCCC ZINC000002041048 342715111 /nfs/dbraw/zinc/71/51/11/342715111.db2.gz KZVBBTZJMSWGTK-UHFFFAOYSA-N 0 0 218.337 2.636 50 0 BFAARN COC(=O)c1sccc1NC(=O)C(C)(C)C ZINC000004155287 342743133 /nfs/dbraw/zinc/74/31/33/342743133.db2.gz UMECWUPJPGGLTL-UHFFFAOYSA-N 0 0 241.312 2.519 50 0 BFAARN O=C1CCc2cccc(Br)c2C1 ZINC000004202739 342744107 /nfs/dbraw/zinc/74/41/07/342744107.db2.gz RWEVGLMABSFMKW-UHFFFAOYSA-N 0 0 225.085 2.507 50 0 BFAARN Cc1cc(C=O)sc1Br ZINC000004208982 342744364 /nfs/dbraw/zinc/74/43/64/342744364.db2.gz FATNNNCLTSHUQL-UHFFFAOYSA-N 0 0 205.076 2.632 50 0 BFAARN Nc1cc(-c2ccc(Cl)cc2Cl)[nH]n1 ZINC000004234699 342744910 /nfs/dbraw/zinc/74/49/10/342744910.db2.gz XSHXVQWCAGNATP-UHFFFAOYSA-N 0 0 228.082 2.966 50 0 BFAARN Cn1c2ccccc2nc1C[NH+]1CCCCCC1 ZINC000004386054 342747464 /nfs/dbraw/zinc/74/74/64/342747464.db2.gz FZKOFWHYNQMTSK-UHFFFAOYSA-N 0 0 243.354 2.949 50 0 BFAARN CCN(CC)C(=O)Cn1ccc2ccccc21 ZINC000004676224 342750395 /nfs/dbraw/zinc/75/03/95/342750395.db2.gz MBDSISHYDIYCBZ-UHFFFAOYSA-N 0 0 230.311 2.510 50 0 BFAARN Clc1ccccc1-c1nn2cnnc2s1 ZINC000004487447 342748369 /nfs/dbraw/zinc/74/83/69/342748369.db2.gz JBSXKIFTIBETPG-UHFFFAOYSA-N 0 0 236.687 2.506 50 0 BFAARN c1coc([C@@H]2NCCc3sccc32)c1 ZINC000004513155 342748582 /nfs/dbraw/zinc/74/85/82/342748582.db2.gz HQBCJPJCQGTFIX-LLVKDONJSA-N 0 0 205.282 2.576 50 0 BFAARN Nc1ccc2nc(-c3ccncc3)sc2c1 ZINC000004538149 342748909 /nfs/dbraw/zinc/74/89/09/342748909.db2.gz KXYTYOFVZMOYHG-UHFFFAOYSA-N 0 0 227.292 2.941 50 0 BFAARN CC(C)c1ccc2[nH]c(=NN)sc2c1 ZINC000002455656 342721064 /nfs/dbraw/zinc/72/10/64/342721064.db2.gz XPOBNKLISUTFDN-UHFFFAOYSA-N 0 0 207.302 2.705 50 0 BFAARN O=c1[nH]c2ccccc2n1Cc1ccc(F)cc1 ZINC000002492454 342721375 /nfs/dbraw/zinc/72/13/75/342721375.db2.gz SOGFCHRGTJVMRX-UHFFFAOYSA-N 0 0 242.253 2.517 50 0 BFAARN Nc1cc(F)ccc1OCc1ccco1 ZINC000002538777 342723318 /nfs/dbraw/zinc/72/33/18/342723318.db2.gz CYDYROXKLBOSNI-UHFFFAOYSA-N 0 0 207.204 2.580 50 0 BFAARN CC(=O)CC(=O)Nc1c(C)cccc1Cl ZINC000002556486 342723992 /nfs/dbraw/zinc/72/39/92/342723992.db2.gz NRVXULLHSFITHB-UHFFFAOYSA-N 0 0 225.675 2.566 50 0 BFAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2 ZINC000002731994 342726788 /nfs/dbraw/zinc/72/67/88/342726788.db2.gz PQMGALGWECRSJB-DTWKUNHWSA-N 0 0 245.248 2.889 50 0 BFAARN CCOc1ccc(NC(=O)C(C)C)cc1 ZINC000002903048 342727810 /nfs/dbraw/zinc/72/78/10/342727810.db2.gz HMEMEVHOZQUIDU-UHFFFAOYSA-N 0 0 207.273 2.680 50 0 BFAARN CCCC[C@@]1(C)NC(=S)N(c2ccccc2)N1 ZINC000002893206 342727854 /nfs/dbraw/zinc/72/78/54/342727854.db2.gz IRIJHSJAVQLFSN-ZDUSSCGKSA-N 0 0 249.383 2.792 50 0 BFAARN CCCCOc1ccc(O)c(C(C)=O)c1 ZINC000002968125 342728832 /nfs/dbraw/zinc/72/88/32/342728832.db2.gz WFMGVLPLMIMMOY-UHFFFAOYSA-N 0 0 208.257 2.774 50 0 BFAARN CC(=O)c1ccc(Br)c(F)c1 ZINC000003165534 342731026 /nfs/dbraw/zinc/73/10/26/342731026.db2.gz VCTWSAITPPCBHI-UHFFFAOYSA-N 0 0 217.037 2.791 50 0 BFAARN Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000003160174 342731038 /nfs/dbraw/zinc/73/10/38/342731038.db2.gz GUPGUFMJVVCPCZ-UHFFFAOYSA-N 0 0 237.262 2.986 50 0 BFAARN Cc1cc(N)n(-c2ccccc2C(F)(F)F)n1 ZINC000003216266 342731613 /nfs/dbraw/zinc/73/16/13/342731613.db2.gz WRGSUGOZPLVAIQ-UHFFFAOYSA-N 0 0 241.216 2.782 50 0 BFAARN CC[C@H]1CN=C(Nc2cccc(OC)c2)S1 ZINC000003228236 342731704 /nfs/dbraw/zinc/73/17/04/342731704.db2.gz NVQONLPKBDCYGW-NSHDSACASA-N 0 0 236.340 2.989 50 0 BFAARN CN(C)c1cccc(/C=C/C=C\[N+](=O)[O-])c1 ZINC000034851685 342732127 /nfs/dbraw/zinc/73/21/27/342732127.db2.gz FRJVYNMJWIHOQQ-OHUKKYLXSA-N 0 0 218.256 2.556 50 0 BFAARN COC[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004600619 342749769 /nfs/dbraw/zinc/74/97/69/342749769.db2.gz ANRVIHFQWAMHSD-NSHDSACASA-N 0 0 249.354 2.749 50 0 BFAARN Cc1cc(C=O)c(C)n1Cc1ccco1 ZINC000003298504 342732249 /nfs/dbraw/zinc/73/22/49/342732249.db2.gz BXYHKQKRUPOGPW-UHFFFAOYSA-N 0 0 203.241 2.559 50 0 BFAARN Cc1cccc(NC(=O)c2ccccc2N)c1 ZINC000003350342 342732749 /nfs/dbraw/zinc/73/27/49/342732749.db2.gz ZLUXETNDOIBMSR-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN Cc1csc(Cc2nc3ccccc3n2C)n1 ZINC000003888483 342739187 /nfs/dbraw/zinc/73/91/87/342739187.db2.gz DHVGNTYYIGISAL-UHFFFAOYSA-N 0 0 243.335 2.929 50 0 BFAARN Cc1[nH]c2ccccc2c1[C@H](O)c1ccncc1 ZINC000003953516 342740007 /nfs/dbraw/zinc/74/00/07/342740007.db2.gz YIFMJHZIASZRQG-OAHLLOKOSA-N 0 0 238.290 2.953 50 0 BFAARN O=[S@]1CCCS[C@H]1c1ccccc1 ZINC000004800542 342752328 /nfs/dbraw/zinc/75/23/28/342752328.db2.gz JLNVOXAMHSCFHV-ZWNOBZJWSA-N 0 0 212.339 2.571 50 0 BFAARN CC(C)N(Cc1ccccc1)C(=O)N(C)C ZINC000004808095 342752438 /nfs/dbraw/zinc/75/24/38/342752438.db2.gz VRQLKOOMWOZNGW-UHFFFAOYSA-N 0 0 220.316 2.579 50 0 BFAARN CCN(C(=O)[C@@H]1CCCO1)c1ccccc1C ZINC000004815695 342752572 /nfs/dbraw/zinc/75/25/72/342752572.db2.gz UDATYNCUFLSCOZ-ZDUSSCGKSA-N 0 0 233.311 2.527 50 0 BFAARN CC(C)(C)OC(=O)NCc1cccs1 ZINC000004943972 342754802 /nfs/dbraw/zinc/75/48/02/342754802.db2.gz PJYFEMRXRXRMSS-UHFFFAOYSA-N 0 0 213.302 2.773 50 0 BFAARN Cc1nc2c3ccccc3oc2c(N(C)C)n1 ZINC000005216287 342760255 /nfs/dbraw/zinc/76/02/55/342760255.db2.gz ARAPSDUFEVRNJH-UHFFFAOYSA-N 0 0 227.267 2.750 50 0 BFAARN CC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000005383009 342762997 /nfs/dbraw/zinc/76/29/97/342762997.db2.gz PACHJCBUIAZMEA-UHFFFAOYSA-N 0 0 210.660 2.892 50 0 BFAARN CC[C@H](Oc1ccccc1)C(=O)N1CCCCC1 ZINC000005476157 342764570 /nfs/dbraw/zinc/76/45/70/342764570.db2.gz MDXTWTAXVWDLNV-AWEZNQCLSA-N 0 0 247.338 2.857 50 0 BFAARN O=C1CCCCN1C12CC3CC(CC(C3)C1)C2 ZINC000005480350 342764609 /nfs/dbraw/zinc/76/46/09/342764609.db2.gz JEBHNKYSIIPZJL-UHFFFAOYSA-N 0 0 233.355 2.968 50 0 BFAARN Cc1cc(N)c(OCc2ccncc2)cc1C ZINC000005587454 342766659 /nfs/dbraw/zinc/76/66/59/342766659.db2.gz CVLROTPFWLTRGB-UHFFFAOYSA-N 0 0 228.295 2.860 50 0 BFAARN C[C@@H](CO)Oc1ccc(Cl)cc1Cl ZINC000005606176 342767054 /nfs/dbraw/zinc/76/70/54/342767054.db2.gz LAZNUAGYLOVVPE-LURJTMIESA-N 0 0 221.083 2.753 50 0 BFAARN O=C1N=C(c2ccccc2)NC1=Cc1ccccc1 ZINC000005731359 342769052 /nfs/dbraw/zinc/76/90/52/342769052.db2.gz KAWZYGYMVASGLF-KAMYIIQDSA-N 0 0 248.285 2.604 50 0 BFAARN Fc1ccc(-c2cc[nH]c(=S)n2)cc1 ZINC000005763652 342769756 /nfs/dbraw/zinc/76/97/56/342769756.db2.gz IKNROSDVLWITKJ-UHFFFAOYSA-N 0 0 206.245 2.945 50 0 BFAARN c1ccn(-c2nccc(-c3cccs3)n2)c1 ZINC000005778544 342769820 /nfs/dbraw/zinc/76/98/20/342769820.db2.gz YQXWMWZYIVLUDK-UHFFFAOYSA-N 0 0 227.292 2.996 50 0 BFAARN CCCCC(=O)Nc1ccsc1C(=O)OC ZINC000006039801 342772957 /nfs/dbraw/zinc/77/29/57/342772957.db2.gz GGFMHPGPKFPQDO-UHFFFAOYSA-N 0 0 241.312 2.663 50 0 BFAARN CCOc1ccccc1NC(=O)CC(F)(F)F ZINC000043070467 342773017 /nfs/dbraw/zinc/77/30/17/342773017.db2.gz PMABGLLPFABNJT-UHFFFAOYSA-N 0 0 247.216 2.976 50 0 BFAARN O=C(c1ccccn1)c1ccccc1Cl ZINC000006095239 342773586 /nfs/dbraw/zinc/77/35/86/342773586.db2.gz XSPNJXJVXUZKPE-UHFFFAOYSA-N 0 0 217.655 2.966 50 0 BFAARN COC(=O)Nc1ccc(Cl)cc1F ZINC000006126168 342774150 /nfs/dbraw/zinc/77/41/50/342774150.db2.gz XJQRGJMLOMGBNF-UHFFFAOYSA-N 0 0 203.600 2.657 50 0 BFAARN CC(C)n1c2ccccc2n2c(=S)[nH]nc21 ZINC000006146400 342774577 /nfs/dbraw/zinc/77/45/77/342774577.db2.gz SMKYQYCPJWLQHY-UHFFFAOYSA-N 0 0 232.312 2.927 50 0 BFAARN CCCCS[C@@H](C)C(=O)Nc1cc(C)[nH]n1 ZINC000071904775 342774782 /nfs/dbraw/zinc/77/47/82/342774782.db2.gz DXZIBWHSIXIWGU-VIFPVBQESA-N 0 0 241.360 2.578 50 0 BFAARN CO[C@@H](C)c1nc(-c2cnoc2C)cs1 ZINC000170618877 361886648 /nfs/dbraw/zinc/88/66/48/361886648.db2.gz MAMNYEJDSHKXEV-ZETCQYMHSA-N 0 0 224.285 2.814 50 0 BFAARN C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000008698323 342802318 /nfs/dbraw/zinc/80/23/18/342802318.db2.gz RFESEZYNEIOJHS-ZCFIWIBFSA-N 0 0 206.163 2.639 50 0 BFAARN Cc1cc(=O)c2ccc(C(F)(F)F)cc2[nH]1 ZINC000008700578 342802476 /nfs/dbraw/zinc/80/24/76/342802476.db2.gz IIABTAZQWRTZHG-UHFFFAOYSA-N 0 0 227.185 2.855 50 0 BFAARN C=CN1CCCC[C@H](C(=O)c2ccccc2)C1=O ZINC000006658274 342780681 /nfs/dbraw/zinc/78/06/81/342780681.db2.gz IOIMHZKQVYKGLR-CYBMUJFWSA-N 0 0 243.306 2.642 50 0 BFAARN O=C(c1ccccc1O)N1CCc2ccccc21 ZINC000006668513 342780701 /nfs/dbraw/zinc/78/07/01/342780701.db2.gz FQMCOXPVJBPJNI-UHFFFAOYSA-N 0 0 239.274 2.595 50 0 BFAARN C[C@H](NC(=O)C1CCCCC1)c1ccncc1 ZINC000006715517 342781352 /nfs/dbraw/zinc/78/13/52/342781352.db2.gz CFEDGJNLPIPWAQ-NSHDSACASA-N 0 0 232.327 2.839 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc(C=O)cc1 ZINC000006732191 342781702 /nfs/dbraw/zinc/78/17/02/342781702.db2.gz SVQVBAUJEKSBEC-UHFFFAOYSA-N 0 0 221.256 2.846 50 0 BFAARN CNC(=O)[C@@H](C)Sc1ccc(C)cc1C ZINC000040464742 538971137 /nfs/dbraw/zinc/97/11/37/538971137.db2.gz WFZXQARQBQCHKZ-SNVBAGLBSA-N 0 0 223.341 2.530 50 0 BFAARN O=C1CSC(=O)N1c1ccccc1Cl ZINC000006863783 342784982 /nfs/dbraw/zinc/78/49/82/342784982.db2.gz HSIPWRGYFQUTDR-UHFFFAOYSA-N 0 0 227.672 2.540 50 0 BFAARN CCCCC(=O)Nc1cccc(OC)c1 ZINC000004666180 342789108 /nfs/dbraw/zinc/78/91/08/342789108.db2.gz GTOPUAOSJZXWID-UHFFFAOYSA-N 0 0 207.273 2.824 50 0 BFAARN CC[C@H](Sc1ccc(Cl)cc1)C(N)=O ZINC000030864565 342789892 /nfs/dbraw/zinc/78/98/92/342789892.db2.gz ZCXOQPALMKVZTN-VIFPVBQESA-N 0 0 229.732 2.696 50 0 BFAARN Cc1ccc(N)cc1NC(=O)Cc1ccccc1 ZINC000007467983 342791520 /nfs/dbraw/zinc/79/15/20/342791520.db2.gz HCBMWHPBLGKGFV-UHFFFAOYSA-N 0 0 240.306 2.758 50 0 BFAARN c1ccc2oc(N3CCCCCO3)nc2c1 ZINC000334616822 342793019 /nfs/dbraw/zinc/79/30/19/342793019.db2.gz UJUSSWMFSLCZGB-UHFFFAOYSA-N 0 0 218.256 2.750 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000002750609 342793140 /nfs/dbraw/zinc/79/31/40/342793140.db2.gz LADITAMZKFVMBQ-SNVBAGLBSA-N 0 0 207.273 2.684 50 0 BFAARN C[C@@H](C1CC1)N(C)C(=O)c1ccc(F)cc1 ZINC000032907019 342799721 /nfs/dbraw/zinc/79/97/21/342799721.db2.gz CBJYLXAJUJQJDB-VIFPVBQESA-N 0 0 221.275 2.696 50 0 BFAARN CCSc1nc2cc(OC)ccc2[nH]1 ZINC000009187549 342809338 /nfs/dbraw/zinc/80/93/38/342809338.db2.gz CZSQXDMMIUJHSK-UHFFFAOYSA-N 0 0 208.286 2.684 50 0 BFAARN CCC(CC)Nc1cnn(CC(F)F)c1 ZINC000096494893 168395063 /nfs/dbraw/zinc/39/50/63/168395063.db2.gz YOPWYLARJUGHBZ-UHFFFAOYSA-N 0 0 217.263 2.749 50 0 BFAARN CC(C)CCn1c2ccccc2nc1CCO ZINC000008786050 342804881 /nfs/dbraw/zinc/80/48/81/342804881.db2.gz XHJVAJONWNHKAM-UHFFFAOYSA-N 0 0 232.327 2.617 50 0 BFAARN CC(C)c1ccc(-c2nc(O)cc(=O)s2)cc1 ZINC000008781700 342804903 /nfs/dbraw/zinc/80/49/03/342804903.db2.gz ZZUCUOKIFSANOC-UHFFFAOYSA-N 0 0 247.319 2.999 50 0 BFAARN Nc1cccc2c1CN(C1CCCCC1)C2=O ZINC000008853862 342805422 /nfs/dbraw/zinc/80/54/22/342805422.db2.gz KYEKGHZMKMKCNN-UHFFFAOYSA-N 0 0 230.311 2.557 50 0 BFAARN Cc1cccc(NC(=O)c2cc(Cl)c[nH]2)n1 ZINC000044891346 538990280 /nfs/dbraw/zinc/99/02/80/538990280.db2.gz JSEAAUICTOUBNO-UHFFFAOYSA-N 0 0 235.674 2.624 50 0 BFAARN CC(C)N1C(=S)N=NC1c1ccccc1 ZINC000011692588 342842537 /nfs/dbraw/zinc/84/25/37/342842537.db2.gz GYEMVRVUKFGVOL-UHFFFAOYSA-N 0 0 219.313 2.815 50 0 BFAARN Cc1ccc([C@@H](O)C(F)(F)F)c(C)c1 ZINC000042268319 361976542 /nfs/dbraw/zinc/97/65/42/361976542.db2.gz JRWQOLMAHKQNNF-SECBINFHSA-N 0 0 204.191 2.899 50 0 BFAARN Clc1c2c(nc3ncccc13)CCC2 ZINC000011919730 342844623 /nfs/dbraw/zinc/84/46/23/342844623.db2.gz BQSMYGSITMSMRA-UHFFFAOYSA-N 0 0 204.660 2.772 50 0 BFAARN O=C(OCCc1ccccc1)c1cccc(O)c1 ZINC000012137880 342846917 /nfs/dbraw/zinc/84/69/17/342846917.db2.gz PCFBUQIVFWSZBX-UHFFFAOYSA-N 0 0 242.274 2.792 50 0 BFAARN CCCC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000012404120 342851476 /nfs/dbraw/zinc/85/14/76/342851476.db2.gz OLWDURPOTWEJTI-UHFFFAOYSA-N 0 0 246.310 2.774 50 0 BFAARN O=C1NC(=O)C(=Cc2ccccc2Cl)S1 ZINC000012407275 342851780 /nfs/dbraw/zinc/85/17/80/342851780.db2.gz LODOBCLAGUEESL-YVMONPNESA-N 0 0 239.683 2.664 50 0 BFAARN O=C1CCCc2ncc(C(F)(F)F)cc21 ZINC000012506034 342852927 /nfs/dbraw/zinc/85/29/27/342852927.db2.gz PPBDRJRJPMFIMA-UHFFFAOYSA-N 0 0 215.174 2.619 50 0 BFAARN COc1cccc2c1CCN2C(=O)OC(C)(C)C ZINC000238396967 259325632 /nfs/dbraw/zinc/32/56/32/259325632.db2.gz WEAUCXVQOBGGMU-UHFFFAOYSA-N 0 0 249.310 2.993 50 0 BFAARN Cc1cc(-c2cccc(OC(C)C)c2)nc(N)n1 ZINC000032603536 342853838 /nfs/dbraw/zinc/85/38/38/342853838.db2.gz AKMZJYINPORMIO-UHFFFAOYSA-N 0 0 243.310 2.821 50 0 BFAARN C[C@]1(c2ccccc2)Nc2ccccc2C(=O)N1 ZINC000012537672 342853924 /nfs/dbraw/zinc/85/39/24/342853924.db2.gz SLVKQLFZYGGACC-HNNXBMFYSA-N 0 0 238.290 2.715 50 0 BFAARN Nc1nc2c(cc(Br)cc2F)s1 ZINC000012937701 342861671 /nfs/dbraw/zinc/86/16/71/342861671.db2.gz UTJKGZXNIBEVEF-UHFFFAOYSA-N 0 0 247.092 2.780 50 0 BFAARN Cc1ccccc1OCc1ccc(C(N)=O)cc1 ZINC000012973111 342862296 /nfs/dbraw/zinc/86/22/96/342862296.db2.gz FXVQAUIKSIVBGE-UHFFFAOYSA-N 0 0 241.290 2.673 50 0 BFAARN CCN(CC)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000013007430 342862824 /nfs/dbraw/zinc/86/28/24/342862824.db2.gz IVENECNJBITAMR-UHFFFAOYSA-N 0 0 234.274 2.789 50 0 BFAARN Cc1ccc(NC(=O)c2cccc(F)c2)nc1 ZINC000013282380 342865184 /nfs/dbraw/zinc/86/51/84/342865184.db2.gz NBCUBHUBNSKBFB-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN CC[C@H]1CCCCN1C(=O)c1cc(C2CC2)on1 ZINC000013363673 342866394 /nfs/dbraw/zinc/86/63/94/342866394.db2.gz GSUNKTLHDHCHJY-NSHDSACASA-N 0 0 248.326 2.957 50 0 BFAARN CCc1ccc(C(=O)N[C@H](C)c2ccccn2)o1 ZINC000032824610 342878676 /nfs/dbraw/zinc/87/86/76/342878676.db2.gz JKAUBFWNOLLIJG-SNVBAGLBSA-N 0 0 244.294 2.728 50 0 BFAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2O)cc1 ZINC000004423495 342867667 /nfs/dbraw/zinc/86/76/67/342867667.db2.gz UWHQATUHQVAVJT-CQSZACIVSA-N 0 0 239.274 2.646 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000032721500 342869145 /nfs/dbraw/zinc/86/91/45/342869145.db2.gz KEROWRDSVUVMLJ-FXOFQERSSA-N 0 0 233.355 2.583 50 0 BFAARN c1nc2ncnc(NC3CCCCCCC3)c2[nH]1 ZINC000013629983 342869194 /nfs/dbraw/zinc/86/91/94/342869194.db2.gz MHIHFHFPXUQZSZ-UHFFFAOYSA-N 0 0 245.330 2.878 50 0 BFAARN Fc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000013679485 342870527 /nfs/dbraw/zinc/87/05/27/342870527.db2.gz AUSVDSQFCRIAEX-UHFFFAOYSA-N 0 0 213.215 2.764 50 0 in-vivo BFAARN CCCc1cc(C(=O)Nc2ccon2)cs1 ZINC000013745838 342871126 /nfs/dbraw/zinc/87/11/26/342871126.db2.gz CPBSLJUHEZSHAV-UHFFFAOYSA-N 0 0 236.296 2.941 50 0 BFAARN CCCC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000014009155 342875568 /nfs/dbraw/zinc/87/55/68/342875568.db2.gz VDWAIUGPFFAUFK-UHFFFAOYSA-N 0 0 248.326 2.563 50 0 BFAARN CN1C(=O)c2ccccc2N[C@@H]1c1cccs1 ZINC000015249054 342893835 /nfs/dbraw/zinc/89/38/35/342893835.db2.gz IAXUVCUJUIHWNA-LBPRGKRZSA-N 0 0 244.319 2.944 50 0 BFAARN Cc1ccc(C)c(-c2n[nH]cc2C=O)c1 ZINC000004237564 178457509 /nfs/dbraw/zinc/45/75/09/178457509.db2.gz VAZHRVTXGPCPLL-UHFFFAOYSA-N 0 0 200.241 2.506 50 0 BFAARN Cl/C=C\CSc1nnc2n1CCCCC2 ZINC000096288878 398317295 /nfs/dbraw/zinc/31/72/95/398317295.db2.gz DBWKGNNLQGYSIS-XQRVVYSFSA-N 0 0 243.763 2.849 50 0 BFAARN Cc1cnc(C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000014429364 342880288 /nfs/dbraw/zinc/88/02/88/342880288.db2.gz OHZYOLZPKOUVLZ-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN CN(CCOc1ccccc1N)c1ccccc1 ZINC000014629126 342882851 /nfs/dbraw/zinc/88/28/51/342882851.db2.gz QJWFJAJSOGJDJO-UHFFFAOYSA-N 0 0 242.322 2.784 50 0 BFAARN Nc1cccc(Cl)c1OC[C@@H]1CCCCO1 ZINC000014629223 342882889 /nfs/dbraw/zinc/88/28/89/342882889.db2.gz LQSKRGNJICEUBA-VIFPVBQESA-N 0 0 241.718 2.870 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1cccc(NC(C)=O)c1 ZINC000032862250 342887712 /nfs/dbraw/zinc/88/77/12/342887712.db2.gz WVIBAVOFIHSHQC-SECBINFHSA-N 0 0 249.314 2.565 50 0 BFAARN Fc1ccc(Br)cc1C1OCCO1 ZINC000014807924 342887951 /nfs/dbraw/zinc/88/79/51/342887951.db2.gz WWJNPWYIXIIEJG-UHFFFAOYSA-N 0 0 247.063 2.634 50 0 BFAARN Clc1n[nH]c2cccc(Br)c12 ZINC000014985774 342890115 /nfs/dbraw/zinc/89/01/15/342890115.db2.gz VEZIBLSUFZJVBD-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN COc1cc(C=O)cc(C(F)(F)F)c1 ZINC000016159854 342907653 /nfs/dbraw/zinc/90/76/53/342907653.db2.gz GAHAVZIKRCECQH-UHFFFAOYSA-N 0 0 204.147 2.527 50 0 BFAARN CCCCSc1nnc(-c2ccncc2)n1C ZINC000016276019 342908867 /nfs/dbraw/zinc/90/88/67/342908867.db2.gz KYOBISIZJXCZHT-UHFFFAOYSA-N 0 0 248.355 2.769 50 0 BFAARN CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)[O-] ZINC000236907034 398324093 /nfs/dbraw/zinc/32/40/93/398324093.db2.gz LSXKWPWKWQZJNU-KGLIPLIRSA-N 0 0 247.338 2.729 50 0 BFAARN Cn1c(Cc2c[nH]c3ccccc23)n[nH]c1=S ZINC000015923766 342903329 /nfs/dbraw/zinc/90/33/29/342903329.db2.gz HADGGUBBBRVURY-UHFFFAOYSA-N 0 0 244.323 2.550 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2cc(O)ccc2C1 ZINC000016697226 342914539 /nfs/dbraw/zinc/91/45/39/342914539.db2.gz IVHHZZKGSYGTKZ-UHFFFAOYSA-N 0 0 249.310 2.685 50 0 BFAARN O=c1cc(-c2cccs2)nc2n1CCCCC2 ZINC000016768895 342915436 /nfs/dbraw/zinc/91/54/36/342915436.db2.gz MPQYUIZTMUYBFV-UHFFFAOYSA-N 0 0 246.335 2.698 50 0 BFAARN Cc1cc(=O)c2ccc(Br)cc2[nH]1 ZINC000016941257 342917481 /nfs/dbraw/zinc/91/74/81/342917481.db2.gz QOUCHADNJZFETE-UHFFFAOYSA-N 0 0 238.084 2.599 50 0 BFAARN CCCc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000018217747 342935401 /nfs/dbraw/zinc/93/54/01/342935401.db2.gz DXQSVRLYPGKQNS-UHFFFAOYSA-N 0 0 202.257 2.579 50 0 BFAARN CC(C)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000069490903 398330156 /nfs/dbraw/zinc/33/01/56/398330156.db2.gz QCCLKEVSGSXKKM-LBPRGKRZSA-N 0 0 233.311 2.673 50 0 BFAARN CC(C)C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000069490901 398330271 /nfs/dbraw/zinc/33/02/71/398330271.db2.gz QCCLKEVSGSXKKM-GFCCVEGCSA-N 0 0 233.311 2.673 50 0 BFAARN Clc1ccc(CNc2nc[nH]n2)c(Cl)c1 ZINC000018155406 342932687 /nfs/dbraw/zinc/93/26/87/342932687.db2.gz LCTQKTUGPMAQET-UHFFFAOYSA-N 0 0 243.097 2.724 50 0 BFAARN NN(Cc1ccccc1)Cc1ccccc1 ZINC000019167479 342942942 /nfs/dbraw/zinc/94/29/42/342942942.db2.gz CZVXEAWVGZTLON-UHFFFAOYSA-N 0 0 212.296 2.563 50 0 BFAARN CCCC(=O)Nc1cccc2c1CCCN2 ZINC000019279550 342944992 /nfs/dbraw/zinc/94/49/92/342944992.db2.gz DULGMKWUJYCQOR-UHFFFAOYSA-N 0 0 218.300 2.783 50 0 BFAARN Cc1ccc(F)cc1COCc1ncc[nH]1 ZINC000188231974 398344823 /nfs/dbraw/zinc/34/48/23/398344823.db2.gz UIIHLVWGINTAQZ-UHFFFAOYSA-N 0 0 220.247 2.574 50 0 BFAARN N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000019433020 342948550 /nfs/dbraw/zinc/94/85/50/342948550.db2.gz ZGFGADXCVWZZHD-ZETCQYMHSA-N 0 0 209.598 2.902 50 0 BFAARN Nc1ccc(C(=O)Nc2ccncc2)c(Cl)c1 ZINC000019478031 342949710 /nfs/dbraw/zinc/94/97/10/342949710.db2.gz STOCMIHPZDQGDB-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN Nc1cccc(COCc2ccccc2)c1 ZINC000019393449 342947369 /nfs/dbraw/zinc/94/73/69/342947369.db2.gz YNGZKYBHLZBSRH-UHFFFAOYSA-N 0 0 213.280 2.986 50 0 BFAARN CC(C)C(=O)Nc1cccc2c1CCCN2 ZINC000019401054 342947431 /nfs/dbraw/zinc/94/74/31/342947431.db2.gz SUGZBZCTLQOSRG-UHFFFAOYSA-N 0 0 218.300 2.639 50 0 BFAARN Cc1cn2cc(-c3ccc(N)cc3)nc2s1 ZINC000019767259 342956643 /nfs/dbraw/zinc/95/66/43/342956643.db2.gz QNBXWJLRHIDISD-UHFFFAOYSA-N 0 0 229.308 2.953 50 0 BFAARN CCS(=O)(=O)c1ccc2ccccc2c1 ZINC000019894182 342961735 /nfs/dbraw/zinc/96/17/35/342961735.db2.gz CZIBILCYGBKCMU-UHFFFAOYSA-N 0 0 220.293 2.633 50 0 BFAARN CC[C@@H](C)Oc1cc(C=O)ccc1OC ZINC000020217385 342977807 /nfs/dbraw/zinc/97/78/07/342977807.db2.gz QUTAHKMUOGGGGW-SECBINFHSA-N 0 0 208.257 2.685 50 0 BFAARN Cc1ccc(C)c([C@H]([NH3+])c2cccnc2)c1 ZINC000019972422 342965674 /nfs/dbraw/zinc/96/56/74/342965674.db2.gz NULQARXVUXOZBH-CQSZACIVSA-N 0 0 212.296 2.747 50 0 BFAARN COC(=O)CNc1ccc(Cl)c(Cl)c1 ZINC000020048523 342967683 /nfs/dbraw/zinc/96/76/83/342967683.db2.gz PTYVMTILBYVNQA-UHFFFAOYSA-N 0 0 234.082 2.578 50 0 BFAARN CC[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1 ZINC000020572991 342991315 /nfs/dbraw/zinc/99/13/15/342991315.db2.gz IHVHLHIGUVSVPV-MNOVXSKESA-N 0 0 220.316 2.845 50 0 BFAARN Cn1c(C=O)ccc1-c1ccc(F)cc1 ZINC000020272395 342979365 /nfs/dbraw/zinc/97/93/65/342979365.db2.gz YSPDGJJCDQEWOC-UHFFFAOYSA-N 0 0 203.216 2.644 50 0 BFAARN Nc1cc(NC(=O)c2cccnc2)ccc1Cl ZINC000020344184 342982351 /nfs/dbraw/zinc/98/23/51/342982351.db2.gz OWUTVSNKCQUSER-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN Nc1ccc(-n2cc(Cl)cn2)c(Cl)c1 ZINC000020351936 342982694 /nfs/dbraw/zinc/98/26/94/342982694.db2.gz ONHREOFASQAVIM-UHFFFAOYSA-N 0 0 228.082 2.761 50 0 BFAARN CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)c2ccccc21 ZINC000020357624 342983107 /nfs/dbraw/zinc/98/31/07/342983107.db2.gz REHNRWSWBXHXSB-NEPJUHHUSA-N 0 0 249.310 2.690 50 0 BFAARN Clc1nccc(OC2CCCCC2)n1 ZINC000020358085 342983555 /nfs/dbraw/zinc/98/35/55/342983555.db2.gz MMBINALOMGPYDR-UHFFFAOYSA-N 0 0 212.680 2.842 50 0 BFAARN CN1C(=O)c2ccccc2N[C@@H]1c1ccccc1 ZINC000020936226 342999768 /nfs/dbraw/zinc/99/97/68/342999768.db2.gz ROWPKSZILRECDM-AWEZNQCLSA-N 0 0 238.290 2.883 50 0 BFAARN Cc1c(C)n(Cc2ccco2)c(C)c1C=O ZINC000022122457 343040359 /nfs/dbraw/zinc/04/03/59/343040359.db2.gz GPEQHJSLTKAIIU-UHFFFAOYSA-N 0 0 217.268 2.867 50 0 BFAARN Nc1ccc(F)c(NC(=O)C2CCCC2)c1 ZINC000021960260 343030545 /nfs/dbraw/zinc/03/05/45/343030545.db2.gz VXYWHPUEWRDMQY-UHFFFAOYSA-N 0 0 222.263 2.537 50 0 BFAARN Cc1cc(C=O)cc(C)c1Br ZINC000021982497 343031495 /nfs/dbraw/zinc/03/14/95/343031495.db2.gz USONNBCBJMNJIU-UHFFFAOYSA-N 0 0 213.074 2.878 50 0 BFAARN O=C(Oc1ccc2c(c1)OCO2)c1ccsc1 ZINC000022392328 343047845 /nfs/dbraw/zinc/04/78/45/343047845.db2.gz IKUKQZCLIXLNDQ-UHFFFAOYSA-N 0 0 248.259 2.696 50 0 BFAARN Cc1cnc(NC(=O)c2ccsc2)s1 ZINC000022423202 343048536 /nfs/dbraw/zinc/04/85/36/343048536.db2.gz OGDRYESQIHDBTJ-UHFFFAOYSA-N 0 0 224.310 2.765 50 0 BFAARN O=C(c1cccc2cccnc21)N1CCCCC1 ZINC000022501257 343050159 /nfs/dbraw/zinc/05/01/59/343050159.db2.gz DDSZRMYGSDXDHK-UHFFFAOYSA-N 0 0 240.306 2.861 50 0 BFAARN Cc1ccc(C)c(OC(=O)c2cccnc2)c1 ZINC000000361925 178487159 /nfs/dbraw/zinc/48/71/59/178487159.db2.gz DMVKZPMCAWYDIW-UHFFFAOYSA-N 0 0 227.263 2.918 50 0 BFAARN CC1(C)C[C@]23C(=O)CC[C@H](O)[C@@]2(C)CC[C@@H]13 ZINC000169294805 187226606 /nfs/dbraw/zinc/22/66/06/187226606.db2.gz UHRWOVVMQAASAO-ZNIXKSQXSA-N 0 0 222.328 2.543 50 0 in-vitro BFAARN COC(=O)c1cncc(-c2cccs2)c1 ZINC000022201026 343044032 /nfs/dbraw/zinc/04/40/32/343044032.db2.gz RDFRFBDTMUDSRT-UHFFFAOYSA-N 0 0 219.265 2.597 50 0 BFAARN CC[C@@H](C)S(=O)(=O)Nc1ccc(C)cc1 ZINC000024614045 343073561 /nfs/dbraw/zinc/07/35/61/343073561.db2.gz YXBWALPMRXLKAM-SNVBAGLBSA-N 0 0 227.329 2.535 50 0 BFAARN Cn1ccc2c1nccc2-c1ccc2nc[nH]c2n1 ZINC000072167588 343062393 /nfs/dbraw/zinc/06/23/93/343062393.db2.gz IKAWCKQMYJDHRB-UHFFFAOYSA-N 0 0 249.277 2.512 50 0 BFAARN Cc1cnc(NC(=O)CSC(C)C)s1 ZINC000024627338 343074109 /nfs/dbraw/zinc/07/41/09/343074109.db2.gz YIYABFROKKHQQT-UHFFFAOYSA-N 0 0 230.358 2.532 50 0 BFAARN COC(=O)/C=C/c1c(C)cc(C)cc1C ZINC000133832887 343075608 /nfs/dbraw/zinc/07/56/08/343075608.db2.gz KJYFTZVBVMXPFV-AATRIKPKSA-N 0 0 204.269 2.798 50 0 BFAARN Nc1ccc2cccc(Br)c2n1 ZINC000026474701 343105626 /nfs/dbraw/zinc/10/56/26/343105626.db2.gz JCZCFNGKDJIKQI-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1C ZINC000118828287 343122271 /nfs/dbraw/zinc/12/22/71/343122271.db2.gz RMVHKBHWGVICPX-UHFFFAOYSA-N 0 0 244.294 2.732 50 0 BFAARN Cc1cc(C(=O)NCc2cccnc2)sc1C ZINC000028200388 343127564 /nfs/dbraw/zinc/12/75/64/343127564.db2.gz UFLMYEALUILTME-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN CC(C)C[C@@]1(C)Nc2ccccc2C(=O)N1 ZINC000028187936 343127592 /nfs/dbraw/zinc/12/75/92/343127592.db2.gz GLTLSRADCWBWDK-ZDUSSCGKSA-N 0 0 218.300 2.604 50 0 BFAARN Cc1ccc(N(C)C)c(Br)c1 ZINC000028278341 343127851 /nfs/dbraw/zinc/12/78/51/343127851.db2.gz WHDJFGXRKRLPJK-UHFFFAOYSA-N 0 0 214.106 2.824 50 0 BFAARN Cc1cc(O)ccc1NC(=O)CC(C)(F)F ZINC000277274120 187239378 /nfs/dbraw/zinc/23/93/78/187239378.db2.gz HOZXQPGYQDKGLX-UHFFFAOYSA-N 0 0 229.226 2.684 50 0 BFAARN Cc1ccc(NC(=O)c2ccc(=O)oc2)cc1C ZINC000015800186 343140825 /nfs/dbraw/zinc/14/08/25/343140825.db2.gz FKFHHVQAXHEXBY-UHFFFAOYSA-N 0 0 243.262 2.509 50 0 BFAARN CC(C)C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000032903889 343142113 /nfs/dbraw/zinc/14/21/13/343142113.db2.gz WVRYGEVLVWAFDK-NEPJUHHUSA-N 0 0 209.333 2.824 50 0 BFAARN CSc1nccc(-c2ccsc2)n1 ZINC000000148718 187244483 /nfs/dbraw/zinc/24/44/83/187244483.db2.gz PITDXEUQBUNWLJ-UHFFFAOYSA-N 0 0 208.311 2.927 50 0 BFAARN CCOc1cc(Br)cnc1Cl ZINC000091366367 187243364 /nfs/dbraw/zinc/24/33/64/187243364.db2.gz LGMDMSGQELXZEL-UHFFFAOYSA-N 0 0 236.496 2.896 50 0 BFAARN CC(C)(C)OC(=O)C(C)(C)Br ZINC000000153250 187244219 /nfs/dbraw/zinc/24/42/19/187244219.db2.gz IGVNJALYNQVQIT-UHFFFAOYSA-N 0 0 223.110 2.502 50 0 BFAARN CC(C)(C)N1NC2(CCCCCC2)NC1=S ZINC000000090224 187244252 /nfs/dbraw/zinc/24/42/52/187244252.db2.gz WIPPCJFYHIPHBB-UHFFFAOYSA-N 0 0 241.404 2.530 50 0 BFAARN CC(C)[C@@H]1C[C@H](c2csc(N)n2)CCO1 ZINC000000191485 187244567 /nfs/dbraw/zinc/24/45/67/187244567.db2.gz JXYPLQDIDJLTJJ-SCZZXKLOSA-N 0 0 226.345 2.644 50 0 BFAARN CC(=O)NCCOc1cc(C)ccc1C(C)C ZINC000002870270 187245914 /nfs/dbraw/zinc/24/59/14/187245914.db2.gz SOAMFMSXVOXBDW-UHFFFAOYSA-N 0 0 235.327 2.633 50 0 BFAARN COc1ccc(Cl)cc1NC(=O)C(C)C ZINC000003192519 187246053 /nfs/dbraw/zinc/24/60/53/187246053.db2.gz PZCQMUMKJOTUOD-UHFFFAOYSA-N 0 0 227.691 2.943 50 0 BFAARN NC(=O)c1ccccc1CCc1ccccc1 ZINC000002879912 187246142 /nfs/dbraw/zinc/24/61/42/187246142.db2.gz RIMLYMAUYDOKDM-UHFFFAOYSA-N 0 0 225.291 2.571 50 0 BFAARN COc1ccc(OCc2ccc(C=O)o2)cc1 ZINC000002578421 187246492 /nfs/dbraw/zinc/24/64/92/187246492.db2.gz CBUFSARKXGLUOM-UHFFFAOYSA-N 0 0 232.235 2.680 50 0 BFAARN CCn1ncc(NC(=O)c2cccc(C)c2)c1C ZINC000002800703 187246526 /nfs/dbraw/zinc/24/65/26/187246526.db2.gz RYTMGAOXHDSBHU-UHFFFAOYSA-N 0 0 243.310 2.772 50 0 BFAARN CNC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000004843173 187248242 /nfs/dbraw/zinc/24/82/42/187248242.db2.gz HBWLVNYQQWHTON-UHFFFAOYSA-N 0 0 241.290 2.625 50 0 BFAARN CCn1ccc(C(=O)Nc2ccc(Cl)cc2)n1 ZINC000006731857 187248309 /nfs/dbraw/zinc/24/83/09/187248309.db2.gz HVWYSTOEVYZCDL-UHFFFAOYSA-N 0 0 249.701 2.809 50 0 BFAARN CCOc1ccc(NC(=O)NC2CCC2)cc1 ZINC000013331729 362128418 /nfs/dbraw/zinc/12/84/18/362128418.db2.gz AIKTTZCHDRZGAM-UHFFFAOYSA-N 0 0 234.299 2.759 50 0 BFAARN CC(=O)Nc1ccc(Sc2ncccn2)cc1 ZINC000007983535 187248616 /nfs/dbraw/zinc/24/86/16/187248616.db2.gz OHGGYVBQLCYAED-UHFFFAOYSA-N 0 0 245.307 2.586 50 0 BFAARN CC(=O)c1ccc(NC(=O)c2ccccn2)cc1 ZINC000006947344 187248943 /nfs/dbraw/zinc/24/89/43/187248943.db2.gz DVPZUSQPJVRHGV-UHFFFAOYSA-N 0 0 240.262 2.537 50 0 BFAARN CC(C)(C)c1cc(NC(=O)c2cccnc2)no1 ZINC000001052257 187244750 /nfs/dbraw/zinc/24/47/50/187244750.db2.gz IRKPSQXBAPUXOK-UHFFFAOYSA-N 0 0 245.282 2.619 50 0 BFAARN Cn1cnc2cc(C(F)(F)F)ccc21 ZINC000002386357 187245344 /nfs/dbraw/zinc/24/53/44/187245344.db2.gz FZMXBWXWQILZPU-UHFFFAOYSA-N 0 0 200.163 2.592 50 0 BFAARN CN(C)c1ccc(NCc2ccccn2)cc1 ZINC000032015427 343228822 /nfs/dbraw/zinc/22/88/22/343228822.db2.gz RIKLBFYMQFBFJF-UHFFFAOYSA-N 0 0 227.311 2.760 50 0 BFAARN CC(C)(C)c1cccc2c1OCCC2=O ZINC000036928563 187250849 /nfs/dbraw/zinc/25/08/49/187250849.db2.gz RYISAMGVJMRICQ-UHFFFAOYSA-N 0 0 204.269 2.949 50 0 BFAARN Cc1nn(C(=O)c2ccc(C)cc2)c(C)c1C ZINC000010155521 187249194 /nfs/dbraw/zinc/24/91/94/187249194.db2.gz OFSIYEVBTKLAMD-UHFFFAOYSA-N 0 0 228.295 2.805 50 0 BFAARN O=C(CCc1ccccc1F)NC1CCCC1 ZINC000032714816 343240840 /nfs/dbraw/zinc/24/08/40/343240840.db2.gz PGCUXCQAOZUCGQ-UHFFFAOYSA-N 0 0 235.302 2.817 50 0 BFAARN CCOc1ccc([C@H]2CCCN2C(C)=O)cc1 ZINC000032820991 343242716 /nfs/dbraw/zinc/24/27/16/343242716.db2.gz PWHYTTMZZVJLRW-CQSZACIVSA-N 0 0 233.311 2.769 50 0 BFAARN CC(C)c1ccc(C(=O)N2CCO[C@@H](C)C2)cc1 ZINC000032865138 343243053 /nfs/dbraw/zinc/24/30/53/343243053.db2.gz XEOQHNYPAOQXQW-LBPRGKRZSA-N 0 0 247.338 2.671 50 0 BFAARN C[C@H](NC(=O)C[C@@H]1C=CCC1)c1cccnc1 ZINC000048325885 343243127 /nfs/dbraw/zinc/24/31/27/343243127.db2.gz VMZKWCPJZLLYPZ-NWDGAFQWSA-N 0 0 230.311 2.615 50 0 BFAARN CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000072303681 343243177 /nfs/dbraw/zinc/24/31/77/343243177.db2.gz OJKRKLKXFULZAU-NXEZZACHSA-N 0 0 236.315 2.526 50 0 BFAARN CC(C)c1ccc(C(=O)N2CCO[C@H](C)C2)cc1 ZINC000032865137 343243180 /nfs/dbraw/zinc/24/31/80/343243180.db2.gz XEOQHNYPAOQXQW-GFCCVEGCSA-N 0 0 247.338 2.671 50 0 BFAARN Cc1c2cc[nH]c2ncc1Br ZINC000032915116 343244005 /nfs/dbraw/zinc/24/40/05/343244005.db2.gz NWINRLXRPPSXIY-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN CC(C)N(C[C@H]1C[C@@H]1C)C(=O)Nc1cccnc1 ZINC000072304747 343244427 /nfs/dbraw/zinc/24/44/27/343244427.db2.gz XTCZSNUMKVPPMI-NWDGAFQWSA-N 0 0 247.342 2.980 50 0 BFAARN Cc1ccc(CN(C)C(=O)C(C)(C)C)cc1 ZINC000033000477 343245880 /nfs/dbraw/zinc/24/58/80/343245880.db2.gz MBDZUIUKUNIUKU-UHFFFAOYSA-N 0 0 219.328 3.000 50 0 BFAARN C/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F ZINC000033376861 343252396 /nfs/dbraw/zinc/25/23/96/343252396.db2.gz DCARLDZSCMKDNZ-IHWYPQMZSA-N 0 0 236.111 2.599 50 0 BFAARN C[S@@](=O)/C=C/c1ccc(Cl)cc1 ZINC000033835224 343262150 /nfs/dbraw/zinc/26/21/50/343262150.db2.gz KWIIEDMAHNVLDQ-SYTKJHMZSA-N 0 0 200.690 2.689 50 0 BFAARN Oc1ccccc1[C@@H](O)Cc1ccccc1 ZINC000034069195 343263697 /nfs/dbraw/zinc/26/36/97/343263697.db2.gz OQOCSCWMMZVDHS-AWEZNQCLSA-N 0 0 214.264 2.668 50 0 BFAARN Clc1nc(Cc2ccccc2)ns1 ZINC000034361497 343268444 /nfs/dbraw/zinc/26/84/44/343268444.db2.gz PUGFKQSEHPLELH-UHFFFAOYSA-N 0 0 210.689 2.782 50 0 BFAARN COC(C)(C)c1cc(-c2ccccc2)nc(N)n1 ZINC000000275193 343269557 /nfs/dbraw/zinc/26/95/57/343269557.db2.gz PVXZLLSYVOKTPU-UHFFFAOYSA-N 0 0 243.310 2.607 50 0 BFAARN CCCCOC[C@H](O)CSCCCC ZINC000002870992 343270388 /nfs/dbraw/zinc/27/03/88/343270388.db2.gz HOPLYCXOTGEXLU-NSHDSACASA-N 0 0 220.378 2.697 50 0 BFAARN Cc1cc(C)n(CNc2cccc(F)c2)n1 ZINC000016310049 343271271 /nfs/dbraw/zinc/27/12/71/343271271.db2.gz KPSYBEYAOTZZHO-UHFFFAOYSA-N 0 0 219.263 2.709 50 0 BFAARN c1csc(-c2nc3[nH]c4ccccc4n3n2)c1 ZINC000018283968 343271733 /nfs/dbraw/zinc/27/17/33/343271733.db2.gz FNIVKPMAGUWRKW-UHFFFAOYSA-N 0 0 240.291 2.939 50 0 BFAARN COC(=O)Cc1cccc2ccc(OC)cc21 ZINC000034559142 343274767 /nfs/dbraw/zinc/27/47/67/343274767.db2.gz HPHUJOWZEKGVQD-UHFFFAOYSA-N 0 0 230.263 2.564 50 0 BFAARN COc1cc(F)c(Br)cc1OC ZINC000034745909 343278473 /nfs/dbraw/zinc/27/84/73/343278473.db2.gz AGGGNHIRTLQXSD-UHFFFAOYSA-N 0 0 235.052 2.605 50 0 BFAARN O=C1CCc2c1cc(F)cc2Br ZINC000036421241 343318818 /nfs/dbraw/zinc/31/88/18/343318818.db2.gz KBBCLUTZUIWTON-UHFFFAOYSA-N 0 0 229.048 2.717 50 0 BFAARN Cc1ccc(Br)c2c[nH]nc21 ZINC000036533420 343320142 /nfs/dbraw/zinc/32/01/42/343320142.db2.gz JTFKASPFJNQUBL-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1ccsc1-c1nn2c(C)nnc2s1 ZINC000036558994 343320458 /nfs/dbraw/zinc/32/04/58/343320458.db2.gz YMCVAMYELKEFKH-UHFFFAOYSA-N 0 0 236.325 2.531 50 0 BFAARN CCOc1ccc(NC(=O)c2cccn2C)cc1 ZINC000032975903 343324916 /nfs/dbraw/zinc/32/49/16/343324916.db2.gz MQZRFHQFDAXZPM-UHFFFAOYSA-N 0 0 244.294 2.676 50 0 BFAARN CSc1ccc(CSCCC(N)=O)cc1 ZINC000027187520 187254831 /nfs/dbraw/zinc/25/48/31/187254831.db2.gz XAAWYQVXCGJRJZ-UHFFFAOYSA-N 0 0 241.381 2.517 50 0 BFAARN Fc1cc2ncc(Cl)nc2cc1F ZINC000035270032 343291505 /nfs/dbraw/zinc/29/15/05/343291505.db2.gz BJQGARNEDBXHQC-UHFFFAOYSA-N 0 0 200.575 2.561 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1ccc(OC)c(F)c1 ZINC000048450845 343304441 /nfs/dbraw/zinc/30/44/41/343304441.db2.gz FWQJBPQQXZXGEX-MRVPVSSYSA-N 0 0 240.278 2.754 50 0 BFAARN Nc1nc(Cc2ccc(Cl)cc2)cs1 ZINC000037066114 343332853 /nfs/dbraw/zinc/33/28/53/343332853.db2.gz ZJWQYBBAFCVIGA-UHFFFAOYSA-N 0 0 224.716 2.970 50 0 BFAARN CC1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000020572040 187253681 /nfs/dbraw/zinc/25/36/81/187253681.db2.gz PUHHTJJRHYUBDJ-UHFFFAOYSA-N 0 0 215.300 2.799 50 0 BFAARN Fc1ccc(F)c(NC2CCOCC2)c1 ZINC000036303899 343314778 /nfs/dbraw/zinc/31/47/78/343314778.db2.gz YIJYHPWDAGQGRU-UHFFFAOYSA-N 0 0 213.227 2.556 50 0 BFAARN CC[C@@H](C)NC(=O)Cc1cc(C)ccc1C ZINC000038753040 343378921 /nfs/dbraw/zinc/37/89/21/343378921.db2.gz JVELOEGQSKMUCG-GFCCVEGCSA-N 0 0 219.328 2.761 50 0 BFAARN CCOc1ccc(C(C)=O)c(F)c1F ZINC000038529914 343376582 /nfs/dbraw/zinc/37/65/82/343376582.db2.gz YHGFVKNXGQWJMM-UHFFFAOYSA-N 0 0 200.184 2.566 50 0 BFAARN Fc1c(Cl)nc(Cl)nc1Cl ZINC000038540093 343376867 /nfs/dbraw/zinc/37/68/67/343376867.db2.gz XXBZSPPWTVRISV-UHFFFAOYSA-N 0 0 201.415 2.576 50 0 BFAARN C/C=C/C=C/C(=O)Nc1cccnc1OCC ZINC000027587079 187255613 /nfs/dbraw/zinc/25/56/13/187255613.db2.gz ZTRDWRRJKPFPAU-USXIXMCRSA-N 0 0 232.283 2.551 50 0 BFAARN Cc1ccc(C2=NNC(=O)[C@@H]3CCCC[C@H]23)cc1 ZINC000005794187 178513816 /nfs/dbraw/zinc/51/38/16/178513816.db2.gz CAGGMZIQVSXHRG-QWHCGFSZSA-N 0 0 242.322 2.635 50 0 BFAARN [NH3+][C@H](CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000037378002 343343880 /nfs/dbraw/zinc/34/38/80/343343880.db2.gz XXABZGITVFYWRM-SECBINFHSA-N 0 0 248.109 2.858 50 0 BFAARN O=C1Oc2ccccc2/C1=C\c1cccc(O)c1 ZINC000028523322 187256002 /nfs/dbraw/zinc/25/60/02/187256002.db2.gz UHYBDARJSVRFKM-UKTHLTGXSA-N 0 0 238.242 2.852 50 0 BFAARN Cc1cc(Br)c2c(c1)NCCO2 ZINC000039941568 187256026 /nfs/dbraw/zinc/25/60/26/187256026.db2.gz JSBAIKUUINFLEM-UHFFFAOYSA-N 0 0 228.089 2.562 50 0 BFAARN CC(C)=CC(=O)N[C@@H](C)Cc1cccs1 ZINC000069531386 187257366 /nfs/dbraw/zinc/25/73/66/187257366.db2.gz YHGKSEIUDRCBHX-JTQLQIEISA-N 0 0 223.341 2.762 50 0 BFAARN Cc1ccc(CC(=O)NC2CCCC2)c(C)c1 ZINC000072436965 178518797 /nfs/dbraw/zinc/51/87/97/178518797.db2.gz ODYOVLMNOWXVQZ-UHFFFAOYSA-N 0 0 231.339 2.905 50 0 BFAARN CCc1cc(Br)cc2c[nH]nc21 ZINC000039102566 343384457 /nfs/dbraw/zinc/38/44/57/343384457.db2.gz UXSIDFXINVIZIM-UHFFFAOYSA-N 0 0 225.089 2.888 50 0 BFAARN CSc1nc2cc(Cl)cnc2o1 ZINC000040450093 343404094 /nfs/dbraw/zinc/40/40/94/343404094.db2.gz JFZJWIAIEKPATO-UHFFFAOYSA-N 0 0 200.650 2.598 50 0 BFAARN C[C@H](C1CC1)N(C)C(=O)c1ccsc1 ZINC000040490154 343405238 /nfs/dbraw/zinc/40/52/38/343405238.db2.gz HQSNEWDSCPVXCA-MRVPVSSYSA-N 0 0 209.314 2.619 50 0 BFAARN CCCCN(C)C(=O)c1cn2cccc(C)c2n1 ZINC000097939063 343408960 /nfs/dbraw/zinc/40/89/60/343408960.db2.gz PPVJSRXZHDYFEV-UHFFFAOYSA-N 0 0 245.326 2.515 50 0 BFAARN CCCn1nc(C)c(Br)c1C ZINC000041367399 343419905 /nfs/dbraw/zinc/41/99/05/343419905.db2.gz DFWDLCVJEAGMET-UHFFFAOYSA-N 0 0 217.110 2.672 50 0 BFAARN Cc1ccc(CCC(=O)NCC(C)C)cc1 ZINC000010368474 178526001 /nfs/dbraw/zinc/52/60/01/178526001.db2.gz PFWJQHRGUNOSQV-UHFFFAOYSA-N 0 0 219.328 2.700 50 0 BFAARN CSc1cccc(Nc2cc(C)nc(N)n2)c1 ZINC000043531927 343476651 /nfs/dbraw/zinc/47/66/51/343476651.db2.gz QENQHQGTAMMPDL-UHFFFAOYSA-N 0 0 246.339 2.833 50 0 BFAARN Nc1cnc(-c2ccc(C(F)(F)F)cc2)cn1 ZINC000044117515 343491807 /nfs/dbraw/zinc/49/18/07/343491807.db2.gz PZCWBZARKLQZDN-UHFFFAOYSA-N 0 0 239.200 2.745 50 0 BFAARN CC(=O)Oc1ccc(C(=O)c2cccs2)cc1 ZINC000043210681 343465932 /nfs/dbraw/zinc/46/59/32/343465932.db2.gz DBKNRDYNXMZHRK-UHFFFAOYSA-N 0 0 246.287 2.904 50 0 BFAARN Cc1cnc(Br)c2cc[nH]c21 ZINC000043220689 343466274 /nfs/dbraw/zinc/46/62/74/343466274.db2.gz REXQJHMTWUKWJR-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1c2[nH]ccc2cnc1Br ZINC000043220691 343466365 /nfs/dbraw/zinc/46/63/65/343466365.db2.gz VVKYVWBJMHQHSR-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1onc(-c2ccc(F)cc2)c1C=O ZINC000043215024 343466502 /nfs/dbraw/zinc/46/65/02/343466502.db2.gz GKFSKVZRERHBQP-UHFFFAOYSA-N 0 0 205.188 2.602 50 0 BFAARN CCOC(=O)C1=C(O)CC[C@@H](C(C)(C)C)C1 ZINC000039416297 187262818 /nfs/dbraw/zinc/26/28/18/187262818.db2.gz JHTDFSYUZRZZBQ-ZJUUUORDSA-N 0 0 226.316 2.581 50 0 BFAARN Cc1ccc(C(=O)c2ncccc2C)cc1 ZINC000045028657 343521592 /nfs/dbraw/zinc/52/15/92/343521592.db2.gz VQEFZZLMYVEVEP-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN Cc1cc(O)cc(Br)c1C ZINC000039255051 187263312 /nfs/dbraw/zinc/26/33/12/187263312.db2.gz GJVYZGLNIKGKTE-UHFFFAOYSA-N 0 0 201.063 2.772 50 0 BFAARN CC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000039213875 187263416 /nfs/dbraw/zinc/26/34/16/187263416.db2.gz UIPDPUXNQIWJLF-UHFFFAOYSA-N 0 0 202.175 2.837 50 0 BFAARN O=c1cc(-c2cccc(Cl)c2)[nH]c(=S)[nH]1 ZINC000045918681 343535394 /nfs/dbraw/zinc/53/53/94/343535394.db2.gz ZQJGIKUMJHNRAN-UHFFFAOYSA-N 0 0 238.699 2.753 50 0 BFAARN CCc1ccc(-c2cc(=O)[nH]c(=S)[nH]2)cc1 ZINC000045918685 343535695 /nfs/dbraw/zinc/53/56/95/343535695.db2.gz MDMJMKYBSFNQMS-UHFFFAOYSA-N 0 0 232.308 2.662 50 0 BFAARN Fc1cc(F)c(F)c(OC(F)F)c1F ZINC000047203392 343558862 /nfs/dbraw/zinc/55/88/62/343558862.db2.gz SYLWJPITZPRIDB-UHFFFAOYSA-N 0 0 216.080 2.844 50 0 BFAARN CC(C)(C)C1N=NC(=S)N1c1ccccc1 ZINC000002523438 537785380 /nfs/dbraw/zinc/78/53/80/537785380.db2.gz SKPMGVKBHVTGQH-UHFFFAOYSA-N 0 0 233.340 2.854 50 0 BFAARN Cc1ccoc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000048354108 343578917 /nfs/dbraw/zinc/57/89/17/343578917.db2.gz DEFAOUGAKFMTBM-UWVGGRQHSA-N 0 0 221.300 2.706 50 0 BFAARN FC1(F)Oc2cc3nc(Cl)[nH]c3cc2O1 ZINC000034566883 346950856 /nfs/dbraw/zinc/95/08/56/346950856.db2.gz KWEWTSREBGKLDA-UHFFFAOYSA-N 0 0 232.573 2.538 50 0 BFAARN CC(C)(C)c1n[nH]cc1CNCc1ccoc1 ZINC000049021270 187269339 /nfs/dbraw/zinc/26/93/39/187269339.db2.gz TVIWRRWLBLDBAG-UHFFFAOYSA-N 0 0 233.315 2.590 50 0 BFAARN CC(C)[C@H](C)NC(=O)NCc1cccs1 ZINC000048406825 187269667 /nfs/dbraw/zinc/26/96/67/187269667.db2.gz YPOKHAIBOWRSPQ-VIFPVBQESA-N 0 0 226.345 2.592 50 0 BFAARN CC(=O)c1ccc(C)cc1Br ZINC000049815272 187270568 /nfs/dbraw/zinc/27/05/68/187270568.db2.gz WQUTYGRAHPHFBE-UHFFFAOYSA-N 0 0 213.074 2.960 50 0 BFAARN CCn1c(C)csc1=Nc1ccc(O)cc1 ZINC000254545919 343721646 /nfs/dbraw/zinc/72/16/46/343721646.db2.gz OBNDIZYXTVWEKW-UHFFFAOYSA-N 0 0 234.324 2.816 50 0 BFAARN CC(=O)Cc1ccc(F)cc1Br ZINC000053765726 187272396 /nfs/dbraw/zinc/27/23/96/187272396.db2.gz NOUVOMJCKOALKS-UHFFFAOYSA-N 0 0 231.064 2.720 50 0 BFAARN Clc1ccn2c3ccccc3nc2n1 ZINC000108377015 343786298 /nfs/dbraw/zinc/78/62/98/343786298.db2.gz RNEJWEYLAVZASN-UHFFFAOYSA-N 0 0 203.632 2.536 50 0 BFAARN CC1(C)C[C@@H](C(=O)NCc2ccccc2)CCO1 ZINC000000521977 346973480 /nfs/dbraw/zinc/97/34/80/346973480.db2.gz LZSJOGHJZABPDJ-ZDUSSCGKSA-N 0 0 247.338 2.508 50 0 BFAARN Cc1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 ZINC000009836384 178595628 /nfs/dbraw/zinc/59/56/28/178595628.db2.gz OIUAFWZGZLTRKD-CQSZACIVSA-N 0 0 229.323 2.968 50 0 BFAARN COc1ccc([C@H](C)NC(=O)C(C)(C)C)cc1 ZINC000072115604 187276665 /nfs/dbraw/zinc/27/66/65/187276665.db2.gz PDZFEDNHRSUAIX-JTQLQIEISA-N 0 0 235.327 2.919 50 0 BFAARN C/C(=C/C(=O)N(C)C)c1ccccc1Cl ZINC000066607659 343875832 /nfs/dbraw/zinc/87/58/32/343875832.db2.gz JJGGEIVFCRIHHL-HJWRWDBZSA-N 0 0 223.703 2.832 50 0 BFAARN CC[C@H](Oc1ccccc1)C(=O)N(CC)CC ZINC000004723560 343975190 /nfs/dbraw/zinc/97/51/90/343975190.db2.gz GBQNEVCYILKLFB-ZDUSSCGKSA-N 0 0 235.327 2.712 50 0 BFAARN CCCO[C@H]1CCC[C@H](CCCO)C1 ZINC000238252039 344104489 /nfs/dbraw/zinc/10/44/89/344104489.db2.gz KNCACCCFPLJHEI-NEPJUHHUSA-N 0 0 200.322 2.744 50 0 BFAARN COC(=O)[C@@H]1Cc2ccccc2C(C)(C)C1 ZINC000036449038 344104659 /nfs/dbraw/zinc/10/46/59/344104659.db2.gz SGGXRLXCTLDTGT-LLVKDONJSA-N 0 0 218.296 2.700 50 0 BFAARN CCN(Cc1nnc(C)o1)c1ccc(F)cc1 ZINC000096981884 344108153 /nfs/dbraw/zinc/10/81/53/344108153.db2.gz SGDVVNNSSRZRDP-UHFFFAOYSA-N 0 0 235.262 2.544 50 0 BFAARN C[C@@H]1CCCCCN1C(=O)c1ccc(N)cc1 ZINC000070407845 187359034 /nfs/dbraw/zinc/35/90/34/187359034.db2.gz NQEMQZDJINTXTK-LLVKDONJSA-N 0 0 232.327 2.674 50 0 BFAARN Cc1ccc(/C=C/C(=O)N[C@H](C)C(C)(C)C)cn1 ZINC000095465646 187288344 /nfs/dbraw/zinc/28/83/44/187288344.db2.gz ANVXMRKOYXXDQC-IDVQTMNDSA-N 0 0 246.354 2.954 50 0 BFAARN CC(=O)Nc1cc(Cl)c(F)cc1C ZINC000097757506 187290020 /nfs/dbraw/zinc/29/00/20/187290020.db2.gz XGALWCRXPHDEAR-UHFFFAOYSA-N 0 0 201.628 2.746 50 0 BFAARN Cc1nc2c(-c3ccccc3)noc2c(C)n1 ZINC000004779393 344227093 /nfs/dbraw/zinc/22/70/93/344227093.db2.gz RTMUBMXFMUZYFU-UHFFFAOYSA-N 0 0 225.251 2.902 50 0 BFAARN O=c1c2ccccc2cnn1-c1ccc(F)cc1 ZINC000000069787 344185594 /nfs/dbraw/zinc/18/55/94/344185594.db2.gz MMWWEGAXUOCMJA-UHFFFAOYSA-N 0 0 240.237 2.525 50 0 BFAARN CCc1cnccc1C(=O)N(C)[C@@H](C)C1CCC1 ZINC000097110872 187289558 /nfs/dbraw/zinc/28/95/58/187289558.db2.gz HVRBQHNLPHWMAV-NSHDSACASA-N 0 0 246.354 2.905 50 0 BFAARN Cc1ccc(CNc2n[nH]c(-c3ccco3)n2)o1 ZINC000064656440 178641838 /nfs/dbraw/zinc/64/18/38/178641838.db2.gz OPYPEYXZMYJBJI-UHFFFAOYSA-N 0 0 244.254 2.578 50 0 BFAARN CCS[C@@H]1CCC[C@H](NC(=O)N(C)CC)C1 ZINC000084760740 344473642 /nfs/dbraw/zinc/47/36/42/344473642.db2.gz OCSXWZBMOSQJNP-WDEREUQCSA-N 0 0 244.404 2.712 50 0 BFAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)NC(C)C ZINC000024475517 537846278 /nfs/dbraw/zinc/84/62/78/537846278.db2.gz DPBVQWQLWLCHJD-UHFFFAOYSA-N 0 0 248.301 2.683 50 0 BFAARN CC/C=C(/C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000072277379 344527400 /nfs/dbraw/zinc/52/74/00/344527400.db2.gz PHEJGVNJRUBKHC-GXJZLWQJSA-N 0 0 245.322 2.983 50 0 BFAARN CC/C=C(/C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000072277378 344527443 /nfs/dbraw/zinc/52/74/43/344527443.db2.gz PHEJGVNJRUBKHC-TUOYRWMMSA-N 0 0 245.322 2.983 50 0 BFAARN CCc1ccccc1OCC(=O)NC1CCCC1 ZINC000000131413 344561268 /nfs/dbraw/zinc/56/12/68/344561268.db2.gz WEWDAMOVUHBTQZ-UHFFFAOYSA-N 0 0 247.338 2.687 50 0 BFAARN Cc1cc(C)nc(Nc2ccc(N(C)C)cc2)n1 ZINC000000150138 344569806 /nfs/dbraw/zinc/56/98/06/344569806.db2.gz YZEAWDQPTICNGM-UHFFFAOYSA-N 0 0 242.326 2.903 50 0 BFAARN CCCc1c(O)ccc(C(=O)CC)c1O ZINC000000160228 344581958 /nfs/dbraw/zinc/58/19/58/344581958.db2.gz IRVNBDDMJSVRGI-UHFFFAOYSA-N 0 0 208.257 2.643 50 0 BFAARN CC[C@@H](C)[C@H]([NH2+]Cc1cccc(C)c1)C(=O)[O-] ZINC000000258968 344662504 /nfs/dbraw/zinc/66/25/04/344662504.db2.gz DFCDGYOQLIZVMK-YPMHNXCESA-N 0 0 235.327 2.584 50 0 BFAARN Cc1cc(Cl)cc2c1NCC(=O)S2 ZINC000000292543 344679462 /nfs/dbraw/zinc/67/94/62/344679462.db2.gz GIMHIGAAEWUNFR-UHFFFAOYSA-N 0 0 213.689 2.693 50 0 BFAARN CCc1ccc(/C=C/C(=O)N2CCCC2)cc1 ZINC000000356041 344724423 /nfs/dbraw/zinc/72/44/23/344724423.db2.gz XJXGZGGEDOXYCR-MDZDMXLPSA-N 0 0 229.323 2.885 50 0 BFAARN Cc1ccc(/C=C2/N=C(c3ccco3)OC2=O)o1 ZINC000000356193 344725658 /nfs/dbraw/zinc/72/56/58/344725658.db2.gz VXAWKFMMZOBHAN-JXMROGBWSA-N 0 0 243.218 2.526 50 0 BFAARN CC(C)c1ccc(NC(=O)c2cnn(C)c2)cc1 ZINC000000375892 344735063 /nfs/dbraw/zinc/73/50/63/344735063.db2.gz NYOLAGRTWYGZBF-UHFFFAOYSA-N 0 0 243.310 2.796 50 0 BFAARN CC(C)CC(=O)Nc1cccc([C@@H](C)O)c1 ZINC000000383829 344740353 /nfs/dbraw/zinc/74/03/53/344740353.db2.gz PDBKPJJINJEZOL-SNVBAGLBSA-N 0 0 221.300 2.725 50 0 BFAARN Nc1cc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC000114453776 344687129 /nfs/dbraw/zinc/68/71/29/344687129.db2.gz FWFWQBIQPVAXEI-UHFFFAOYSA-N 0 0 214.224 2.844 50 0 BFAARN Cc1ccsc1C(=O)NCc1ccc(C)nc1 ZINC000048790730 344693729 /nfs/dbraw/zinc/69/37/29/344693729.db2.gz FNWOAFNJQXDXBI-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN Cc1ccc(CNC(=O)/C=C/c2ccco2)cc1 ZINC000000574590 347081255 /nfs/dbraw/zinc/08/12/55/347081255.db2.gz ATMXJGYBMNPXNG-CMDGGOBGSA-N 0 0 241.290 2.918 50 0 BFAARN Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1F ZINC000015084702 178745508 /nfs/dbraw/zinc/74/55/08/178745508.db2.gz COJLTFCILGNGNW-PSASIEDQSA-N 0 0 207.248 2.729 50 0 BFAARN COc1cc(Br)cc(OC)c1F ZINC000118787814 344824715 /nfs/dbraw/zinc/82/47/15/344824715.db2.gz NIOXJRNKOHUWJD-UHFFFAOYSA-N 0 0 235.052 2.605 50 0 BFAARN O=C1CCc2ccc(OCC3CCC3)cc21 ZINC000166315683 344854393 /nfs/dbraw/zinc/85/43/93/344854393.db2.gz HBOIYWLQJBTKCF-UHFFFAOYSA-N 0 0 216.280 2.994 50 0 BFAARN Cc1nnsc1C(=O)Nc1ccc(C)cc1C ZINC000000478308 178755644 /nfs/dbraw/zinc/75/56/44/178755644.db2.gz YOQKHLYMBSFBRU-UHFFFAOYSA-N 0 0 247.323 2.716 50 0 BFAARN CCCc1nc2cc(OCC)ccc2[nH]1 ZINC000095924192 537870474 /nfs/dbraw/zinc/87/04/74/537870474.db2.gz SSCVLICTDCUAGL-UHFFFAOYSA-N 0 0 204.273 2.914 50 0 BFAARN CCCc1cc(=O)[nH]c(Nc2cccc(C)c2)n1 ZINC000005012131 344899998 /nfs/dbraw/zinc/89/99/98/344899998.db2.gz MFFYBQLXRASOHU-UHFFFAOYSA-N 0 0 243.310 2.774 50 0 BFAARN Cc1ccc(O)c(Nc2cc(C)ncn2)c1 ZINC000019794068 178801830 /nfs/dbraw/zinc/80/18/30/178801830.db2.gz DXIKDPSNXPUNEN-UHFFFAOYSA-N 0 0 215.256 2.543 50 0 BFAARN Cc1ccc(OC(=O)c2ccc(N)cc2O)cc1 ZINC000000394347 178807890 /nfs/dbraw/zinc/80/78/90/178807890.db2.gz OJIOCNFCPOQZFN-UHFFFAOYSA-N 0 0 243.262 2.502 50 0 BFAARN Cc1ccc(O[C@H](C)C(=O)N2CCCCC2)cc1 ZINC000002759875 178818890 /nfs/dbraw/zinc/81/88/90/178818890.db2.gz CCGSLGGHRAUPRF-CYBMUJFWSA-N 0 0 247.338 2.775 50 0 BFAARN Clc1ncnc(N2CCCCC2)c1Cl ZINC000238574379 345079294 /nfs/dbraw/zinc/07/92/94/345079294.db2.gz JLXCBRJDGNFPEK-UHFFFAOYSA-N 0 0 232.114 2.774 50 0 BFAARN O=c1cc[nH]c(Br)c1C(F)(F)F ZINC000238728542 345119497 /nfs/dbraw/zinc/11/94/97/345119497.db2.gz OBBXAMOCSLBHRS-UHFFFAOYSA-N 0 0 241.994 2.569 50 0 BFAARN CC(C)=CC(=O)Nc1nnc(C(C)C)s1 ZINC000000145654 187300888 /nfs/dbraw/zinc/30/08/88/187300888.db2.gz VKFLBUAPIFTOII-UHFFFAOYSA-N 0 0 225.317 2.566 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)c2cccnc2)cc1 ZINC000000356926 178837586 /nfs/dbraw/zinc/83/75/86/178837586.db2.gz WYKGFYKQTNUAHP-GFCCVEGCSA-N 0 0 240.306 2.881 50 0 BFAARN C[C@H](NC(=O)C(C)(C)C)c1ccccc1 ZINC000000409777 345527253 /nfs/dbraw/zinc/52/72/53/345527253.db2.gz HBBKPRZFGXDWHG-JTQLQIEISA-N 0 0 205.301 2.910 50 0 BFAARN CC(C)CNC(=O)CSCC(C)(C)C ZINC000252508122 345536343 /nfs/dbraw/zinc/53/63/43/345536343.db2.gz XDLKDIBUNVSWBF-UHFFFAOYSA-N 0 0 217.378 2.538 50 0 BFAARN CCCC(=O)N(C)c1cccc2ncccc21 ZINC000089844208 168533721 /nfs/dbraw/zinc/53/37/21/168533721.db2.gz LBPTUKOXJKIDMG-UHFFFAOYSA-N 0 0 228.295 2.998 50 0 BFAARN COC(=O)Cc1cc(Cl)nc2ccccc12 ZINC000196294097 537913801 /nfs/dbraw/zinc/91/38/01/537913801.db2.gz DEKMOGNNUXUIIW-UHFFFAOYSA-N 0 0 235.670 2.604 50 0 BFAARN Cc1ccc2n[nH]cc2c1Br ZINC000036533418 178936607 /nfs/dbraw/zinc/93/66/07/178936607.db2.gz YBLXBXPJJAZHDS-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN CC(=O)c1c(Br)ccc(F)c1F ZINC000075844352 187360423 /nfs/dbraw/zinc/36/04/23/187360423.db2.gz LPFAUHPMXMEQSR-UHFFFAOYSA-N 0 0 235.027 2.930 50 0 BFAARN Cc1ccc(CC(=O)Nc2nccs2)cc1 ZINC000000465399 345900652 /nfs/dbraw/zinc/90/06/52/345900652.db2.gz SGIWWPPUHFDHFH-UHFFFAOYSA-N 0 0 232.308 2.633 50 0 BFAARN Cc1ccc2c(Cl)c(C)c3nncn3c2n1 ZINC000001016788 178940449 /nfs/dbraw/zinc/94/04/49/178940449.db2.gz FXDMDPLMRPUDES-UHFFFAOYSA-N 0 0 232.674 2.548 50 0 BFAARN CC1(C)c2ccccc2N2CCC(=O)N[C@]21C ZINC000005261067 345961353 /nfs/dbraw/zinc/96/13/53/345961353.db2.gz ASXASADEFMUYPU-CQSZACIVSA-N 0 0 230.311 2.861 50 0 BFAARN C/C=C(/CC)C(=O)NCCOc1ccccc1 ZINC000189608637 187312570 /nfs/dbraw/zinc/31/25/70/187312570.db2.gz XPNQNINDXKYCIM-BASWHVEKSA-N 0 0 233.311 2.538 50 0 BFAARN Cc1cc(C)n(C(=O)[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000005362247 346198591 /nfs/dbraw/zinc/19/85/91/346198591.db2.gz KJGRIGIQDLUOEA-ZIAGYGMSSA-N 0 0 240.306 2.944 50 0 BFAARN Cc1cc(C)n(C(=O)[C@H]2C[C@H]2c2ccccc2)n1 ZINC000005362252 346198703 /nfs/dbraw/zinc/19/87/03/346198703.db2.gz KJGRIGIQDLUOEA-KBPBESRZSA-N 0 0 240.306 2.944 50 0 BFAARN Cc1nn(-c2cccc(C)c2)c(Cl)c1C=O ZINC000034963140 179001455 /nfs/dbraw/zinc/00/14/55/179001455.db2.gz AAMDRNQYVNYYJA-UHFFFAOYSA-N 0 0 234.686 2.955 50 0 BFAARN Cc1cccc(-n2nc3c(c2N)CSC3)c1C ZINC000004276276 179001506 /nfs/dbraw/zinc/00/15/06/179001506.db2.gz XPRSFIVEDWGNNE-UHFFFAOYSA-N 0 0 245.351 2.818 50 0 BFAARN Cc1ccccc1O[C@@H](C)C(=O)NCCC(C)C ZINC000002069583 346212855 /nfs/dbraw/zinc/21/28/55/346212855.db2.gz YDWUFIRGFORKAL-ZDUSSCGKSA-N 0 0 249.354 2.925 50 0 BFAARN COC(=O)Nc1cccc(Br)c1 ZINC000005354590 346194399 /nfs/dbraw/zinc/19/43/99/346194399.db2.gz MFYWFWFNTFKJSA-UHFFFAOYSA-N 0 0 230.061 2.627 50 0 BFAARN CC(C)/C=C1/CC(=O)N(c2ccccc2F)C1=O ZINC000005348767 346195754 /nfs/dbraw/zinc/19/57/54/346195754.db2.gz APTTUMAQOXZTOS-YFHOEESVSA-N 0 0 247.269 2.671 50 0 BFAARN Cc1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1 ZINC000032907047 179005678 /nfs/dbraw/zinc/00/56/78/179005678.db2.gz WXFPDCJDOKEJSD-NSHDSACASA-N 0 0 217.312 2.866 50 0 BFAARN Cc1cccc(C(=O)N2CCCC2)c1C ZINC000012975721 179007536 /nfs/dbraw/zinc/00/75/36/179007536.db2.gz QFHWTPBPMWYDOV-UHFFFAOYSA-N 0 0 203.285 2.539 50 0 BFAARN COC(=O)Nc1ccc(Br)cc1F ZINC000005526240 346245966 /nfs/dbraw/zinc/24/59/66/346245966.db2.gz UFZZBPUQVJNHNR-UHFFFAOYSA-N 0 0 248.051 2.767 50 0 BFAARN Cc1cccc(C(=O)NCCc2ccccc2)c1 ZINC000000128748 179016968 /nfs/dbraw/zinc/01/69/68/179016968.db2.gz PUXFKJNTLNBQMJ-UHFFFAOYSA-N 0 0 239.318 2.968 50 0 biogenic BFAARN Cc1nc(N)sc1-c1ccnc([C@H]2C[C@@H]2C)n1 ZINC000095629764 346252320 /nfs/dbraw/zinc/25/23/20/346252320.db2.gz ZHTPRFXALUPNCR-XPUUQOCRSA-N 0 0 246.339 2.614 50 0 BFAARN CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000197764839 187317464 /nfs/dbraw/zinc/31/74/64/187317464.db2.gz ZWQFXADRNKRGAC-UHFFFAOYSA-N 0 0 216.284 2.512 50 0 BFAARN CCOc1ncnc2c1[nH]c1cccc(OC)c12 ZINC000005562343 346255509 /nfs/dbraw/zinc/25/55/09/346255509.db2.gz CBXSMEJWSKKLHW-UHFFFAOYSA-N 0 0 243.266 2.518 50 0 BFAARN Nc1nc2cccc(C(F)(F)F)c2s1 ZINC000034446558 346285127 /nfs/dbraw/zinc/28/51/27/346285127.db2.gz YMOKBGMXQWHOON-UHFFFAOYSA-N 0 0 218.203 2.897 50 0 BFAARN O=C(Nc1ccccc1F)OCc1ccccn1 ZINC000005589451 346268054 /nfs/dbraw/zinc/26/80/54/346268054.db2.gz VZLYKFUQNJLWJD-UHFFFAOYSA-N 0 0 246.241 2.969 50 0 BFAARN Cc1cccc(C(=O)NCc2cccnc2)c1C ZINC000012538180 179020287 /nfs/dbraw/zinc/02/02/87/179020287.db2.gz UPCXMIUZJYRHKT-UHFFFAOYSA-N 0 0 240.306 2.628 50 0 BFAARN Cc1cccc(C(=O)N[C@@H](CCO)C(C)(C)C)c1 ZINC000097046215 179021801 /nfs/dbraw/zinc/02/18/01/179021801.db2.gz GFRWBWNPVYDIKP-ZDUSSCGKSA-N 0 0 249.354 2.522 50 0 BFAARN O=Cc1cc(OCc2ccccc2)ns1 ZINC000136712068 346283169 /nfs/dbraw/zinc/28/31/69/346283169.db2.gz YREZLGBDUDWDEB-UHFFFAOYSA-N 0 0 219.265 2.535 50 0 BFAARN O=C(c1cscn1)N1CC[C@H]2CCCC[C@H]21 ZINC000078487929 537966994 /nfs/dbraw/zinc/96/69/94/537966994.db2.gz XQTZCVLWVVKBRS-MWLCHTKSSA-N 0 0 236.340 2.548 50 0 BFAARN CS[C@@H]1CCC[C@H]1Nc1nc(C)ns1 ZINC000078447911 537966096 /nfs/dbraw/zinc/96/60/96/537966096.db2.gz GCYBXOKIKZGWIF-HTQZYQBOSA-N 0 0 229.374 2.543 50 0 BFAARN Cc1cccc(C)c1NC(=S)N1CCCC1=O ZINC000000093698 179043624 /nfs/dbraw/zinc/04/36/24/179043624.db2.gz QKOGTVIVWMEXMK-UHFFFAOYSA-N 0 0 248.351 2.623 50 0 BFAARN Cc1oncc1C(=O)Nc1c(C)cccc1C ZINC000000384968 179043770 /nfs/dbraw/zinc/04/37/70/179043770.db2.gz KGRKQAGMOYXQOU-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN Cc1cccc(C)c1OCC(=O)NCCC(C)C ZINC000002069604 179045295 /nfs/dbraw/zinc/04/52/95/179045295.db2.gz MZYOKHBNGFPVER-UHFFFAOYSA-N 0 0 249.354 2.845 50 0 BFAARN Cc1cccc(CC(=O)NCc2ccccc2)c1 ZINC000006698432 179052842 /nfs/dbraw/zinc/05/28/42/179052842.db2.gz YUGYWWQRRINRJP-UHFFFAOYSA-N 0 0 239.318 2.854 50 0 BFAARN CC(=O)c1ccc(OC(=O)C(C)(C)C)cc1 ZINC000000149152 346401141 /nfs/dbraw/zinc/40/11/41/346401141.db2.gz VJKMJVAOMRMDGU-UHFFFAOYSA-N 0 0 220.268 2.841 50 0 BFAARN Fc1ccc(Oc2ncccn2)c(F)c1 ZINC000000480202 346417369 /nfs/dbraw/zinc/41/73/69/346417369.db2.gz UGKJNRBNRXLJEP-UHFFFAOYSA-N 0 0 208.167 2.547 50 0 BFAARN CCN(CC)C(=O)[C@@H](C)c1ccccc1 ZINC000000409775 346418449 /nfs/dbraw/zinc/41/84/49/346418449.db2.gz WYYLJNMMIABVJR-NSHDSACASA-N 0 0 205.301 2.659 50 0 BFAARN Cc1cccc(CNC(=O)Nc2cccnc2)c1 ZINC000045029926 179086684 /nfs/dbraw/zinc/08/66/84/179086684.db2.gz NDOPYQLAPRLLGX-UHFFFAOYSA-N 0 0 241.294 2.712 50 0 BFAARN Cn1ccnc1SCc1ccccc1F ZINC000005941967 346449558 /nfs/dbraw/zinc/44/95/58/346449558.db2.gz CXWVOTXLAYEWJW-UHFFFAOYSA-N 0 0 222.288 2.852 50 0 BFAARN Cc1ccc(NC(=O)N2CCCC2)cc1 ZINC000002352445 346508933 /nfs/dbraw/zinc/50/89/33/346508933.db2.gz FFCRJNWJPHNZQO-UHFFFAOYSA-N 0 0 204.273 2.623 50 0 BFAARN CCN(C(=O)c1ccoc1)c1ccccc1 ZINC000006675927 346524935 /nfs/dbraw/zinc/52/49/35/346524935.db2.gz HGZMXQWBEIWKIE-UHFFFAOYSA-N 0 0 215.252 2.946 50 0 BFAARN Cc1cccc(Cn2nnc3ccccc32)c1 ZINC000004487634 179109957 /nfs/dbraw/zinc/10/99/57/179109957.db2.gz YAWKUAOZLUPNMI-UHFFFAOYSA-N 0 0 223.279 2.788 50 0 BFAARN Cc1cccc(N2N[C@@](C)(CC(C)C)NC2=O)c1 ZINC000015867868 179124102 /nfs/dbraw/zinc/12/41/02/179124102.db2.gz ARWRBMOBMRZVCQ-AWEZNQCLSA-N 0 0 247.342 2.792 50 0 BFAARN CCCC(=O)Nc1c(-c2ccccc2)ncn1C ZINC000058167376 168561711 /nfs/dbraw/zinc/56/17/11/168561711.db2.gz ZWEPGJQYDCSJSP-UHFFFAOYSA-N 0 0 243.310 2.826 50 0 BFAARN Cc1c(Cl)cccc1Nc1nc(O)cs1 ZINC000004739974 346607669 /nfs/dbraw/zinc/60/76/69/346607669.db2.gz VYDDPKAARITHFP-UHFFFAOYSA-N 0 0 240.715 2.690 50 0 BFAARN Cc1cccc(NC(=O)C2CCCCC2)n1 ZINC000000299130 179126862 /nfs/dbraw/zinc/12/68/62/179126862.db2.gz XNTZPQKXBRDVAE-UHFFFAOYSA-N 0 0 218.300 2.909 50 0 BFAARN Cc1cccc(NC(=O)NCc2cccnc2)c1 ZINC000000395278 179134546 /nfs/dbraw/zinc/13/45/46/179134546.db2.gz DFHAEVXNNZQIQF-UHFFFAOYSA-N 0 0 241.294 2.712 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1cccc(F)c1 ZINC000006700038 346653648 /nfs/dbraw/zinc/65/36/48/346653648.db2.gz YBPXZYQJDTZCLD-MRVPVSSYSA-N 0 0 210.252 2.746 50 0 BFAARN Cc1cccc(NC(=O)CCc2ccco2)n1 ZINC000012527718 179128542 /nfs/dbraw/zinc/12/85/42/179128542.db2.gz YUKRCEFTPNILEU-UHFFFAOYSA-N 0 0 230.267 2.554 50 0 BFAARN Cc1cccc(NC(=O)C[C@H](C)n2ccnc2)c1 ZINC000021917438 179128975 /nfs/dbraw/zinc/12/89/75/179128975.db2.gz NLELLOAJWGDFCL-LBPRGKRZSA-N 0 0 243.310 2.781 50 0 BFAARN Cc1cccc(NC(=O)C[C@H]2C=CCC2)n1 ZINC000040472888 179128985 /nfs/dbraw/zinc/12/89/85/179128985.db2.gz ATWQFAYYZICDIK-NSHDSACASA-N 0 0 216.284 2.685 50 0 BFAARN Cc1cccc(NC(=O)Cc2cccs2)n1 ZINC000000030808 179129629 /nfs/dbraw/zinc/12/96/29/179129629.db2.gz GPGOQSMTEUSFCN-UHFFFAOYSA-N 0 0 232.308 2.633 50 0 BFAARN Cc1cccc(NC(=O)N2CCCC2)c1F ZINC000272066430 179130856 /nfs/dbraw/zinc/13/08/56/179130856.db2.gz TVJUMSVABNWSGH-UHFFFAOYSA-N 0 0 222.263 2.762 50 0 BFAARN Cc1cccc(NC(=O)NC2CCC2)c1 ZINC000013331742 179133892 /nfs/dbraw/zinc/13/38/92/179133892.db2.gz WHGVXMZBAXLIRM-UHFFFAOYSA-N 0 0 204.273 2.669 50 0 BFAARN Cc1noc(C)c1C(=O)Nc1cccc(C)c1 ZINC000007914429 179141385 /nfs/dbraw/zinc/14/13/85/179141385.db2.gz NYFPARGMHQRZBJ-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN CCc1cccc(C)c1NC(=O)CCC(C)=O ZINC000008723324 346683313 /nfs/dbraw/zinc/68/33/13/346683313.db2.gz AMKPIROMHIQKAN-UHFFFAOYSA-N 0 0 233.311 2.865 50 0 BFAARN Cc1cccc(N[C@H](C)C(=O)NCC(C)C)c1 ZINC000020312491 179156754 /nfs/dbraw/zinc/15/67/54/179156754.db2.gz IVJPADYYZFCBLQ-GFCCVEGCSA-N 0 0 234.343 2.568 50 0 BFAARN Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000003192985 179151900 /nfs/dbraw/zinc/15/19/00/179151900.db2.gz HZGIAHQDIKAYKS-UHFFFAOYSA-N 0 0 247.319 2.796 50 0 BFAARN CCCC(=O)Nc1c2nsnc2ccc1C ZINC000004093684 347109791 /nfs/dbraw/zinc/10/97/91/347109791.db2.gz AUAWKBITTNEFKQ-UHFFFAOYSA-N 0 0 235.312 2.738 50 0 BFAARN Cc1cccc(OCCCn2ccccc2=O)c1 ZINC000039981987 179166634 /nfs/dbraw/zinc/16/66/34/179166634.db2.gz RMDXQJBBBIMMIT-UHFFFAOYSA-N 0 0 243.306 2.626 50 0 BFAARN Cc1cccc(Nc2nc(C)c(C)c(=O)[nH]2)c1C ZINC000066324449 179158778 /nfs/dbraw/zinc/15/87/78/179158778.db2.gz PCUVEMROLUFQBC-UHFFFAOYSA-N 0 0 243.310 2.747 50 0 BFAARN Cc1cccc(O[C@H](C)C(=O)NC(C)(C)C)c1C ZINC000044900313 179175299 /nfs/dbraw/zinc/17/52/99/179175299.db2.gz MBZFSLCWEFYITN-GFCCVEGCSA-N 0 0 249.354 2.985 50 0 BFAARN CC(C)(C)NC(=O)CCc1ccccc1 ZINC000000580919 347218767 /nfs/dbraw/zinc/21/87/67/347218767.db2.gz GSSPEKAHQLNDNY-UHFFFAOYSA-N 0 0 205.301 2.534 50 0 BFAARN Cc1cccc2c(=O)nc(-c3ccco3)oc12 ZINC000015593896 179208555 /nfs/dbraw/zinc/20/85/55/179208555.db2.gz MIJARUWEQPOXBX-UHFFFAOYSA-N 0 0 227.219 2.756 50 0 BFAARN Cc1cccc2c1nc1c(c2C(N)=O)CCCC1 ZINC000000390042 179209520 /nfs/dbraw/zinc/20/95/20/179209520.db2.gz SRTDEQMMJUEGCP-UHFFFAOYSA-N 0 0 240.306 2.521 50 0 BFAARN Cc1cccc2c1NC(=O)[C@H]2Cc1ccco1 ZINC000101014058 179219552 /nfs/dbraw/zinc/21/95/52/179219552.db2.gz BFNXTWJBKUEFGM-LBPRGKRZSA-N 0 0 227.263 2.866 50 0 BFAARN Cc1ccccc1-c1n[nH]c(=O)c2ccccc21 ZINC000000066674 179237195 /nfs/dbraw/zinc/23/71/95/179237195.db2.gz HOPMYPKEIHRCPH-UHFFFAOYSA-N 0 0 236.274 2.899 50 0 BFAARN Cc1ccc(CN(C)C(=O)c2ccccc2F)o1 ZINC000012973903 347471765 /nfs/dbraw/zinc/47/17/65/347471765.db2.gz CAOOPRKSHKXQMD-UHFFFAOYSA-N 0 0 247.269 2.999 50 0 BFAARN Cc1ccc2nc(C)c(C(=O)NC3CC3)cc2c1 ZINC000012870460 347474690 /nfs/dbraw/zinc/47/46/90/347474690.db2.gz FNQQBAODYHIHIK-UHFFFAOYSA-N 0 0 240.306 2.744 50 0 BFAARN Cc1ccc2nc(C)c(C(=O)NC(C)C)cc2c1 ZINC000012858976 347474790 /nfs/dbraw/zinc/47/47/90/347474790.db2.gz NCVHQJJHEREBLW-UHFFFAOYSA-N 0 0 242.322 2.990 50 0 BFAARN Cc1ccccc1C(=O)NCCc1ccccc1 ZINC000000029163 179249756 /nfs/dbraw/zinc/24/97/56/179249756.db2.gz GSBKTZGAXXREIT-UHFFFAOYSA-N 0 0 239.318 2.968 50 0 BFAARN Cc1ccccc1C(=O)NCCc1ccco1 ZINC000017910079 179249762 /nfs/dbraw/zinc/24/97/62/179249762.db2.gz IZPZBYPERADDQY-UHFFFAOYSA-N 0 0 229.279 2.561 50 0 BFAARN Cc1ccccc1C(=O)Nc1ccccc1N ZINC000000225972 179252357 /nfs/dbraw/zinc/25/23/57/179252357.db2.gz MNZYVYKQSMHEOV-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN Cc1ccccc1C(=O)Nc1cccc(N)c1 ZINC000000123112 179252573 /nfs/dbraw/zinc/25/25/73/179252573.db2.gz FSBTYWBFOYSCQM-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN Cc1ccccc1CC(=O)Nc1nccs1 ZINC000006730749 179260349 /nfs/dbraw/zinc/26/03/49/179260349.db2.gz LBHZGAXCJUMJQU-UHFFFAOYSA-N 0 0 232.308 2.633 50 0 BFAARN Cc1ccccc1CCNC(=O)CC(C)C ZINC000045600804 179265146 /nfs/dbraw/zinc/26/51/46/179265146.db2.gz FWXDFHNCUHBYMA-UHFFFAOYSA-N 0 0 219.328 2.700 50 0 BFAARN O=c1cccnn1CCCc1ccccc1Cl ZINC000195421883 347634742 /nfs/dbraw/zinc/63/47/42/347634742.db2.gz DWHHRFSNTVQALD-UHFFFAOYSA-N 0 0 248.713 2.530 50 0 BFAARN COc1cccc(OC)c1/C=C/c1ccncn1 ZINC000195550732 347641691 /nfs/dbraw/zinc/64/16/91/347641691.db2.gz HZFCMQAUVVGJOX-VOTSOKGWSA-N 0 0 242.278 2.664 50 0 BFAARN O=C(CC1CC1)N[C@@H]1CCCc2c(O)cccc21 ZINC000195580107 347642507 /nfs/dbraw/zinc/64/25/07/347642507.db2.gz RNWARTVJINHLGX-CYBMUJFWSA-N 0 0 245.322 2.686 50 0 BFAARN NC(=O)NC1CCC2(CCCCC2)CC1 ZINC000195577246 347648401 /nfs/dbraw/zinc/64/84/01/347648401.db2.gz RHVOAFUJERVUKL-UHFFFAOYSA-N 0 0 210.321 2.548 50 0 BFAARN Cc1c(N[C@@H](C)[C@@H]2CCOC2)cccc1N(C)C ZINC000195115985 347606142 /nfs/dbraw/zinc/60/61/42/347606142.db2.gz MMXMMIKEZBLJSO-QWHCGFSZSA-N 0 0 248.370 2.898 50 0 BFAARN Cc1ccoc1C(=O)NCc1ccccc1C ZINC000072282321 179280397 /nfs/dbraw/zinc/28/03/97/179280397.db2.gz IFJWHARZMUBTPP-UHFFFAOYSA-N 0 0 229.279 2.826 50 0 BFAARN Cc1ccccc1CNC(=O)Cc1ccccc1 ZINC000000452452 179277928 /nfs/dbraw/zinc/27/79/28/179277928.db2.gz MBCANEKVKPIHFA-UHFFFAOYSA-N 0 0 239.318 2.854 50 0 BFAARN Cc1ccccc1NC(=O)[C@H](C)OCC(C)C ZINC000040521124 179302053 /nfs/dbraw/zinc/30/20/53/179302053.db2.gz QYRSETIZDZOFAJ-LBPRGKRZSA-N 0 0 235.327 2.995 50 0 BFAARN Cc1ccccc1NC(=O)c1c(Cl)cnn1C ZINC000006730850 179302740 /nfs/dbraw/zinc/30/27/40/179302740.db2.gz TXQADUVGURENOT-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN Cc1ccccc1NC(=O)c1ccco1 ZINC000002895947 179302926 /nfs/dbraw/zinc/30/29/26/179302926.db2.gz OPXKBVCKKBVCOA-UHFFFAOYSA-N 0 0 201.225 2.840 50 0 BFAARN Cc1ccccc1Oc1ncccc1N ZINC000019257973 179314524 /nfs/dbraw/zinc/31/45/24/179314524.db2.gz MWNPOCWTPDHSKS-UHFFFAOYSA-N 0 0 200.241 2.765 50 0 BFAARN Cc1ccccc1[C@@H](C)NC(=O)NC1CC1 ZINC000057561361 179320251 /nfs/dbraw/zinc/32/02/51/179320251.db2.gz QSWYSCIOYMCOIP-SNVBAGLBSA-N 0 0 218.300 2.518 50 0 BFAARN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+]([C@H](C)C(=O)[O-])C1 ZINC000265779402 179329884 /nfs/dbraw/zinc/32/98/84/179329884.db2.gz ISUZEUDDYACWPR-JHJVBQTASA-N 0 0 247.338 2.646 50 0 BFAARN Cc1ccccc1[C@@H](C)Nc1ncccn1 ZINC000012973160 179323051 /nfs/dbraw/zinc/32/30/51/179323051.db2.gz FNEDIZFUAULTCJ-LLVKDONJSA-N 0 0 213.284 2.958 50 0 BFAARN Cc1ccccc1[C@H](C)NC(=O)NC1CC1 ZINC000057561362 179335300 /nfs/dbraw/zinc/33/53/00/179335300.db2.gz QSWYSCIOYMCOIP-JTQLQIEISA-N 0 0 218.300 2.518 50 0 BFAARN Cc1ccccc1[C@H](C)NC(=O)C1CCC1 ZINC000032978728 179336065 /nfs/dbraw/zinc/33/60/65/179336065.db2.gz OJPLPJQEPNCOAA-NSHDSACASA-N 0 0 217.312 2.972 50 0 BFAARN Cc1ccccc1[C@H](C)NC(=O)NCC1CC1 ZINC000012894385 179336335 /nfs/dbraw/zinc/33/63/35/179336335.db2.gz IGJCEUOLBHMIMX-NSHDSACASA-N 0 0 232.327 2.765 50 0 BFAARN Cc1cccn(C/C=C/c2ccccc2)c1=O ZINC000069811165 179351717 /nfs/dbraw/zinc/35/17/17/179351717.db2.gz PUHVRNWPBKPUDZ-UXBLZVDNSA-N 0 0 225.291 2.870 50 0 BFAARN Cc1cccn2cc(-c3cccc(N)c3)nc12 ZINC000002455773 179353439 /nfs/dbraw/zinc/35/34/39/179353439.db2.gz WQRLDBJIXDSJHU-UHFFFAOYSA-N 0 0 223.279 2.892 50 0 BFAARN Cc1cccn2c(F)c(C(F)(F)F)nc12 ZINC000065363368 179353909 /nfs/dbraw/zinc/35/39/09/179353909.db2.gz UJOFYZKFQFOFPD-UHFFFAOYSA-N 0 0 218.153 2.801 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)Nc1ccccc1Cl ZINC000014373333 362869207 /nfs/dbraw/zinc/86/92/07/362869207.db2.gz JUIGCSWMUCBRRG-YUMQZZPRSA-N 0 0 209.676 2.935 50 0 BFAARN Cc1cccnc1Cn1ccnc1C(C)C ZINC000097050421 179386374 /nfs/dbraw/zinc/38/63/74/179386374.db2.gz HWRICDUKMJNHIV-UHFFFAOYSA-N 0 0 215.300 2.758 50 0 BFAARN CC[C@@]1(C(=O)OC)O[C@]1(C)c1ccc(C)s1 ZINC000669382352 538001204 /nfs/dbraw/zinc/00/12/04/538001204.db2.gz GPSUPBKLCLTVKN-NEPJUHHUSA-N 0 0 240.324 2.624 50 0 BFAARN Cc1cccnc1NC(=O)CC(C)(C)C ZINC000032721863 179388866 /nfs/dbraw/zinc/38/88/66/179388866.db2.gz KZWMLXNCWYCMFP-UHFFFAOYSA-N 0 0 206.289 2.765 50 0 BFAARN Cc1cccnc1NC(=O)c1cccs1 ZINC000000037553 179393660 /nfs/dbraw/zinc/39/36/60/179393660.db2.gz UHFCHMSPWKZOHX-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N1c2ccccc2C[C@H]1C ZINC000251751346 362906697 /nfs/dbraw/zinc/90/66/97/362906697.db2.gz LJAPGMXRDZGHSK-CKYFFXLPSA-N 0 0 215.296 2.620 50 0 BFAARN O=c1nc(C2CC2)[nH]c2sc3c(c21)CCCC3 ZINC000005045288 348465190 /nfs/dbraw/zinc/46/51/90/348465190.db2.gz LKRJENMREMBWGQ-UHFFFAOYSA-N 0 0 246.335 2.741 50 0 BFAARN Cc1ccoc1C(=O)Nc1nc(C)c(C)s1 ZINC000015480567 179509173 /nfs/dbraw/zinc/50/91/73/179509173.db2.gz MZCSAGOHCQTYSJ-UHFFFAOYSA-N 0 0 236.296 2.914 50 0 BFAARN Cc1cncc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000089591490 179660980 /nfs/dbraw/zinc/66/09/80/179660980.db2.gz MTPCFRAABYGYGF-CHWSQXEVSA-N 0 0 244.338 2.652 50 0 BFAARN CCOC(=O)c1nc2c(Cl)cc[nH]c-2c1C ZINC000097757507 348860072 /nfs/dbraw/zinc/86/00/72/348860072.db2.gz VVARPNAJTYGWSI-UHFFFAOYSA-N 0 0 238.674 2.701 50 0 BFAARN CC(=O)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000114933578 348956533 /nfs/dbraw/zinc/95/65/33/348956533.db2.gz WPGRNRNFZMZNFY-VHSXEESVSA-N 0 0 226.316 2.579 50 0 BFAARN CC(=O)Oc1ccc2c(c1)c(C(C)=O)c(C)n2C ZINC000000295551 190969848 /nfs/dbraw/zinc/96/98/48/190969848.db2.gz YTPZPSUHAAWQFL-UHFFFAOYSA-N 0 0 245.278 2.615 50 0 BFAARN Cc1csc(NC(=O)CSC(C)C)n1 ZINC000024546034 179783957 /nfs/dbraw/zinc/78/39/57/179783957.db2.gz PYBSWNYTJWPGCS-UHFFFAOYSA-N 0 0 230.358 2.532 50 0 BFAARN Cc1csc(NC(=O)c2cc(C)oc2C)n1 ZINC000003336324 179787572 /nfs/dbraw/zinc/78/75/72/179787572.db2.gz UKRYKVHVAPAESH-UHFFFAOYSA-N 0 0 236.296 2.914 50 0 BFAARN Nc1ccc(SCc2cccnc2)cc1 ZINC000005571786 190974727 /nfs/dbraw/zinc/97/47/27/190974727.db2.gz MMBPOQASTKXFCX-UHFFFAOYSA-N 0 0 216.309 2.956 50 0 BFAARN CNc1ccc(C)cc1Br ZINC000020039844 190981040 /nfs/dbraw/zinc/98/10/40/190981040.db2.gz FDDHUFWBGIOMAD-UHFFFAOYSA-N 0 0 200.079 2.799 50 0 BFAARN Cc1cc(N)cc2nc(-c3ccncc3)oc21 ZINC000020352369 190982178 /nfs/dbraw/zinc/98/21/78/190982178.db2.gz ZSSRMCAADKURQR-UHFFFAOYSA-N 0 0 225.251 2.780 50 0 BFAARN CC[C@H]1c2cccn2CCN1C(=O)C1CCC1 ZINC000151435284 538036997 /nfs/dbraw/zinc/03/69/97/538036997.db2.gz JKZFCULWQUBFNZ-LBPRGKRZSA-N 0 0 232.327 2.582 50 0 BFAARN Cc1nc(C(C)C)sc1C(=O)N1CCCC1 ZINC000040092821 179897639 /nfs/dbraw/zinc/89/76/39/179897639.db2.gz KQXJFSBBOKHOPQ-UHFFFAOYSA-N 0 0 238.356 2.811 50 0 BFAARN CC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000035182089 190986078 /nfs/dbraw/zinc/98/60/78/190986078.db2.gz UUWZYWFVLGHMTK-UHFFFAOYSA-N 0 0 206.285 2.952 50 0 BFAARN CCCC1(NC(=O)c2cncc(Cl)c2)CC1 ZINC000067867460 168603552 /nfs/dbraw/zinc/60/35/52/168603552.db2.gz MHTWUEIKIXWMPV-UHFFFAOYSA-N 0 0 238.718 2.798 50 0 BFAARN Cc1nc(C)n(CCCC2CCCC2)n1 ZINC000089718022 179921060 /nfs/dbraw/zinc/92/10/60/179921060.db2.gz OGDLBLDWXOOCTO-UHFFFAOYSA-N 0 0 207.321 2.865 50 0 BFAARN CC(C)(C)c1noc(COc2ccc(O)cc2)n1 ZINC000070038112 191003306 /nfs/dbraw/zinc/00/33/06/191003306.db2.gz SLFWILXGZKLVJC-UHFFFAOYSA-N 0 0 248.282 2.652 50 0 BFAARN CC[C@H](CC1CC1)NC(=O)c1ccnc(F)c1 ZINC000070103013 191003167 /nfs/dbraw/zinc/00/31/67/191003167.db2.gz QLADUPFBGAHTKH-LLVKDONJSA-N 0 0 236.290 2.529 50 0 BFAARN CC(=O)Nc1c(C)ccc2ncccc21 ZINC000072193710 191004457 /nfs/dbraw/zinc/00/44/57/191004457.db2.gz BBQBZKIJDLKBCM-UHFFFAOYSA-N 0 0 200.241 2.502 50 0 BFAARN CSc1ccc(NC(=O)c2ccc(C)o2)nc1 ZINC000072286519 191004532 /nfs/dbraw/zinc/00/45/32/191004532.db2.gz SZTXOVPLGRMABK-UHFFFAOYSA-N 0 0 248.307 2.957 50 0 BFAARN CC(C)c1cncnc1-c1cccc2ccnn21 ZINC000072151020 191004913 /nfs/dbraw/zinc/00/49/13/191004913.db2.gz FYZSEIYLVZOFQA-UHFFFAOYSA-N 0 0 238.294 2.915 50 0 BFAARN FC(F)(c1ccccn1)c1ccccn1 ZINC000077011795 191005835 /nfs/dbraw/zinc/00/58/35/191005835.db2.gz XPAVCQLTPWEBHR-UHFFFAOYSA-N 0 0 206.195 2.617 50 0 BFAARN CC(C)(O)CN1c2cccc3cccc(c23)C1=O ZINC000077221206 191006260 /nfs/dbraw/zinc/00/62/60/191006260.db2.gz SFALAUPIMQIZNL-UHFFFAOYSA-N 0 0 241.290 2.571 50 0 BFAARN Cc1nc(Cl)cc(Oc2cccnc2)n1 ZINC000052835179 179990144 /nfs/dbraw/zinc/99/01/44/179990144.db2.gz KIMMTOKRPQUFSE-UHFFFAOYSA-N 0 0 221.647 2.626 50 0 BFAARN Cc1nc(C)c(CSC[C@@H](C)CO)s1 ZINC000074789396 490308219 /nfs/dbraw/zinc/30/82/19/490308219.db2.gz MOSYHXODDJPACE-ZETCQYMHSA-N 0 0 231.386 2.622 50 0 BFAARN Cc1nc(NC(=O)C2CCCC2)sc1C ZINC000002738444 180004735 /nfs/dbraw/zinc/00/47/35/180004735.db2.gz UJIKBYARRMKNPV-UHFFFAOYSA-N 0 0 224.329 2.889 50 0 BFAARN Cc1nc2[nH]ccc2c(N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000095410680 180005826 /nfs/dbraw/zinc/00/58/26/180005826.db2.gz PBKBQCDTJLFGIC-GHMZBOCLSA-N 0 0 242.326 2.503 50 0 BFAARN Cc1cc(C)cc(Cc2cnc(N)s2)c1 ZINC000007278078 350089294 /nfs/dbraw/zinc/08/92/94/350089294.db2.gz XBNPLUCUOKGEDX-UHFFFAOYSA-N 0 0 218.325 2.933 50 0 BFAARN Cc1nc(NC(=O)c2ccoc2)sc1C ZINC000012874080 180014637 /nfs/dbraw/zinc/01/46/37/180014637.db2.gz AMMDUEKRGQGTSA-UHFFFAOYSA-N 0 0 222.269 2.605 50 0 BFAARN Cc1nc([C@@H]2CC(=O)OC23CCCC3)cs1 ZINC000001438872 180041628 /nfs/dbraw/zinc/04/16/28/180041628.db2.gz URIFHMYOGJXZQG-VIFPVBQESA-N 0 0 237.324 2.795 50 0 BFAARN Cc1nc2cc3nc(C(F)(F)F)[nH]c3cc2[nH]1 ZINC000008684679 180086729 /nfs/dbraw/zinc/08/67/29/180086729.db2.gz JAEVGTNIGRKNBP-UHFFFAOYSA-N 0 0 240.188 2.766 50 0 BFAARN Cc1nc2ccc(F)cc2cc1C(=O)NC(C)C ZINC000000536919 180092250 /nfs/dbraw/zinc/09/22/50/180092250.db2.gz ALCJNHSDAFWHGK-UHFFFAOYSA-N 0 0 246.285 2.821 50 0 BFAARN Cc1nc2ccc(Cl)nc2n1C(C)C ZINC000096311453 180093519 /nfs/dbraw/zinc/09/35/19/180093519.db2.gz QEUZYUFHFPLSQO-UHFFFAOYSA-N 0 0 209.680 2.974 50 0 BFAARN Cc1nc2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2o1 ZINC000032752872 180094675 /nfs/dbraw/zinc/09/46/75/180094675.db2.gz ZKSMESAMZDKAQV-OIBJUYFYSA-N 0 0 230.267 2.731 50 0 BFAARN Cc1nc2nc(SC(C)C)nn2c(C)c1C ZINC000060867405 180113844 /nfs/dbraw/zinc/11/38/44/180113844.db2.gz WZXNXVSFHNOCIM-UHFFFAOYSA-N 0 0 236.344 2.550 50 0 BFAARN Cc1nc2ccccc2nc1N1CCCC1 ZINC000000434844 180105328 /nfs/dbraw/zinc/10/53/28/180105328.db2.gz IDVIVWNKKBNROO-UHFFFAOYSA-N 0 0 213.284 2.538 50 0 in-vitro BFAARN Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000008580325 180116075 /nfs/dbraw/zinc/11/60/75/180116075.db2.gz MNZUXCCLJPAXEP-UHFFFAOYSA-N 0 0 242.303 2.960 50 0 BFAARN Cc1nc2sc3c(c2c(=O)o1)CCCCC3 ZINC000004100704 180118031 /nfs/dbraw/zinc/11/80/31/180118031.db2.gz MMVCUDIQVWIEQW-UHFFFAOYSA-N 0 0 235.308 2.827 50 0 BFAARN CC(C)(C)c1cc(=O)n2c3ccccc3nc2[nH]1 ZINC000101460064 191064270 /nfs/dbraw/zinc/06/42/70/191064270.db2.gz UWWFQNNJEDPSJW-UHFFFAOYSA-N 0 0 241.294 2.886 50 0 BFAARN CC(=O)Nc1csc2nc(C)cc(C)c12 ZINC000041531458 191065158 /nfs/dbraw/zinc/06/51/58/191065158.db2.gz IAWJKHBPNIFCCN-UHFFFAOYSA-N 0 0 220.297 2.872 50 0 BFAARN CSc1n[nH]c(C=Cc2ccccc2)n1 ZINC000032789352 350210239 /nfs/dbraw/zinc/21/02/39/350210239.db2.gz AVCQUQDTZAELIZ-BQYQJAHWSA-N 0 0 217.297 2.697 50 0 BFAARN Cc1nc(Sc2ccnc(C)n2)oc1C ZINC000097009677 180206889 /nfs/dbraw/zinc/20/68/89/180206889.db2.gz PALVZOAKOPTFTO-UHFFFAOYSA-N 0 0 221.285 2.541 50 0 BFAARN Cc1nccc(N[C@H]2CCOC3(CCCC3)C2)n1 ZINC000097228576 180207003 /nfs/dbraw/zinc/20/70/03/180207003.db2.gz DBYJKXFCFNKKRB-LBPRGKRZSA-N 0 0 247.342 2.689 50 0 BFAARN CN(C)c1ccccc1NC(=O)c1ccco1 ZINC000023152064 350226701 /nfs/dbraw/zinc/22/67/01/350226701.db2.gz CPBVSQJLPCFTEC-UHFFFAOYSA-N 0 0 230.267 2.598 50 0 BFAARN Cc1ncccc1CNc1cnn(CC(C)C)c1 ZINC000090200090 180222489 /nfs/dbraw/zinc/22/24/89/180222489.db2.gz ADIURZSACOBOML-UHFFFAOYSA-N 0 0 244.342 2.855 50 0 BFAARN CCCCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000059267039 168626073 /nfs/dbraw/zinc/62/60/73/168626073.db2.gz DEJDBEOHXJPAJM-UHFFFAOYSA-N 0 0 237.299 2.833 50 0 BFAARN Cc1nccnc1-c1ccc(-c2cc[nH]n2)cc1 ZINC000032578148 180270763 /nfs/dbraw/zinc/27/07/63/180270763.db2.gz NYBFBYIDVPESNU-UHFFFAOYSA-N 0 0 236.278 2.842 50 0 BFAARN Cc1ncnc2c1ncn2-c1ccc2cc[nH]c2c1 ZINC000067433607 180290415 /nfs/dbraw/zinc/29/04/15/180290415.db2.gz JCZZUSQYBPKZQL-UHFFFAOYSA-N 0 0 249.277 2.605 50 0 BFAARN C[C@H](Cc1cccs1)NC(=O)c1ccccn1 ZINC000038565723 350318210 /nfs/dbraw/zinc/31/82/10/350318210.db2.gz POJGQEABNBTKRD-SNVBAGLBSA-N 0 0 246.335 2.504 50 0 BFAARN Cc1ncsc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000040529535 180303073 /nfs/dbraw/zinc/30/30/73/180303073.db2.gz HGTIFLSSBNVNEZ-RKDXNWHRSA-N 0 0 238.356 2.570 50 0 BFAARN Cc1ccc(O)c(OCC(F)(F)F)c1 ZINC000601014342 350329829 /nfs/dbraw/zinc/32/98/29/350329829.db2.gz RXJFFNHKMGKJIT-UHFFFAOYSA-N 0 0 206.163 2.642 50 0 BFAARN CCN(C(=O)Nc1cccc(OC)c1)C1CC1 ZINC000040498767 350369088 /nfs/dbraw/zinc/36/90/88/350369088.db2.gz FDNDUYNIQMUDMH-UHFFFAOYSA-N 0 0 234.299 2.711 50 0 BFAARN Cc1c(C(=O)N[C@H](C)C2=CCCCC2)ccn1C ZINC000426521204 191096192 /nfs/dbraw/zinc/09/61/92/191096192.db2.gz IXWVWTFFEYJACD-LLVKDONJSA-N 0 0 246.354 2.952 50 0 BFAARN Cc1nn(-c2ccccn2)c2c1[C@@H]1[C@H](C2)C1(C)C ZINC000012341245 180330554 /nfs/dbraw/zinc/33/05/54/180330554.db2.gz RIMGAEPYRPNVBQ-HZMBPMFUSA-N 0 0 239.322 2.871 50 0 BFAARN Cc1nn(-c2ccccc2)c(Cl)c1C=O ZINC000000035783 180331178 /nfs/dbraw/zinc/33/11/78/180331178.db2.gz DKZPJLZXLKAMDO-UHFFFAOYSA-N 0 0 220.659 2.647 50 0 BFAARN Cc1nn(C(=O)c2ccccc2)c(C)c1Cl ZINC000000078656 180332124 /nfs/dbraw/zinc/33/21/24/180332124.db2.gz MLEYSWLJNRFFPI-UHFFFAOYSA-N 0 0 234.686 2.842 50 0 BFAARN Cc1nn(C)c2ncc(NCCC(C)C)cc12 ZINC000037084726 180365493 /nfs/dbraw/zinc/36/54/93/180365493.db2.gz UXXRNVDFSNVFAH-UHFFFAOYSA-N 0 0 232.331 2.735 50 0 BFAARN CCCCC(=O)c1ccc(C(=O)OC)cc1 ZINC000021994217 168630913 /nfs/dbraw/zinc/63/09/13/168630913.db2.gz LSDGSJYZSOPREL-UHFFFAOYSA-N 0 0 220.268 2.846 50 0 BFAARN Cn1cnc2c1ccnc2NCc1ccccc1 ZINC000024983247 350508090 /nfs/dbraw/zinc/50/80/90/350508090.db2.gz GJWGKTCMUYONDS-UHFFFAOYSA-N 0 0 238.294 2.580 50 0 BFAARN Cc1nn(C[C@H](O)c2ccccc2F)c(C)c1C ZINC000191389123 180390247 /nfs/dbraw/zinc/39/02/47/180390247.db2.gz VUJJXBKCNKWYFD-AWEZNQCLSA-N 0 0 248.301 2.681 50 0 BFAARN CC(=O)N(C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000089922630 362967091 /nfs/dbraw/zinc/96/70/91/362967091.db2.gz UAUHMRPDCZAPLH-UBHUBRDASA-N 0 0 239.359 2.593 50 0 BFAARN Cc1ccc2nc(-c3ccccc3)cc(=O)n2c1 ZINC000001636778 191113740 /nfs/dbraw/zinc/11/37/40/191113740.db2.gz XAJJRVMNUNCIMO-UHFFFAOYSA-N 0 0 236.274 2.670 50 0 BFAARN Cc1cccc(C(=O)Oc2ccccn2)c1 ZINC000000384147 191117142 /nfs/dbraw/zinc/11/71/42/191117142.db2.gz SPQXGLBJSZTTHZ-UHFFFAOYSA-N 0 0 213.236 2.609 50 0 BFAARN CC1(C)Cc2cc([N+](=O)[O-])c(Cl)cc2O1 ZINC000071778350 350661240 /nfs/dbraw/zinc/66/12/40/350661240.db2.gz VPLQWDKEWDPMFK-UHFFFAOYSA-N 0 0 227.647 2.962 50 0 BFAARN C=CS(=O)(=O)[C@@H](CC)CCCCC ZINC000005503110 191121736 /nfs/dbraw/zinc/12/17/36/191121736.db2.gz XEUWJNJWOCSSAW-JTQLQIEISA-N 0 0 204.335 2.904 50 0 BFAARN O=Cc1ccc2ccc3ncccc3c2n1 ZINC000096029315 350799935 /nfs/dbraw/zinc/79/99/35/350799935.db2.gz XVNBRPIGVQKJGQ-UHFFFAOYSA-N 0 0 208.220 2.596 50 0 BFAARN Cc1nsc(N[C@@H]2CCc3ccccc32)n1 ZINC000089721460 180523081 /nfs/dbraw/zinc/52/30/81/180523081.db2.gz DPAFQOCLSULAPZ-LLVKDONJSA-N 0 0 231.324 2.946 50 0 BFAARN CC(C)CC(=O)c1cc(F)cc(F)c1O ZINC000052068574 350901912 /nfs/dbraw/zinc/90/19/12/350901912.db2.gz VGQCVWULPQYBKJ-UHFFFAOYSA-N 0 0 214.211 2.899 50 0 BFAARN CC(C)Cc1cc(C(=O)Nc2cccnc2)no1 ZINC000002498102 350915565 /nfs/dbraw/zinc/91/55/65/350915565.db2.gz DVUXCTLVSGCVGR-UHFFFAOYSA-N 0 0 245.282 2.520 50 0 BFAARN Cc1oc(-c2ccc(Cl)cc2)[n+]([O-])c1C ZINC000000215812 180526621 /nfs/dbraw/zinc/52/66/21/180526621.db2.gz CYNQLGURBNRMRS-UHFFFAOYSA-N 0 0 223.659 2.850 50 0 BFAARN Cc1oc(-c2cccc(Cl)c2)[n+]([O-])c1C ZINC000003913599 180527304 /nfs/dbraw/zinc/52/73/04/180527304.db2.gz UJUXYRRHXSUHPG-UHFFFAOYSA-N 0 0 223.659 2.850 50 0 BFAARN Clc1cccc(Oc2ncccn2)c1 ZINC000000984095 350969543 /nfs/dbraw/zinc/96/95/43/350969543.db2.gz RBCKMGWLMAEZKF-UHFFFAOYSA-N 0 0 206.632 2.922 50 0 BFAARN O=C(c1csc2c1CCCC2)n1cccn1 ZINC000001053835 350990544 /nfs/dbraw/zinc/99/05/44/350990544.db2.gz YREXHXNSUMZDHN-UHFFFAOYSA-N 0 0 232.308 2.512 50 0 BFAARN Cc1cnn(C(=O)c2oc3ccccc3c2C)c1 ZINC000001054932 350990613 /nfs/dbraw/zinc/99/06/13/350990613.db2.gz BGABGNOUUDMUAM-UHFFFAOYSA-N 0 0 240.262 2.935 50 0 BFAARN CSc1ccccc1NC(=O)[C@H]1CCCO1 ZINC000001053915 350991050 /nfs/dbraw/zinc/99/10/50/350991050.db2.gz BQDACGQLUTWKJM-SNVBAGLBSA-N 0 0 237.324 2.526 50 0 BFAARN Cc1sccc1C(=O)N1CCC[C@H]1CF ZINC000295700676 180561516 /nfs/dbraw/zinc/56/15/16/180561516.db2.gz XOQXYWXTWSVACZ-VIFPVBQESA-N 0 0 227.304 2.631 50 0 BFAARN Clc1cc(Br)cc2c1OCCN2 ZINC000087439548 180574480 /nfs/dbraw/zinc/57/44/80/180574480.db2.gz RPUCEFZYJYIUCI-UHFFFAOYSA-N 0 0 248.507 2.907 50 0 BFAARN Clc1cc2c(cc1Br)OCCN2 ZINC000072266677 180576330 /nfs/dbraw/zinc/57/63/30/180576330.db2.gz BAUAOJVZMYGURE-UHFFFAOYSA-N 0 0 248.507 2.907 50 0 BFAARN Clc1ccc(Cc2ccccc2)nn1 ZINC000001391032 180582100 /nfs/dbraw/zinc/58/21/00/180582100.db2.gz LTTLFJNMPWCXRV-UHFFFAOYSA-N 0 0 204.660 2.721 50 0 BFAARN Cc1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)no1 ZINC000041591603 351361082 /nfs/dbraw/zinc/36/10/82/351361082.db2.gz AZZZYRWGWNOQJN-NEPJUHHUSA-N 0 0 248.326 2.635 50 0 BFAARN O=c1nc(-c2ccccc2)[nH]c2sccc21 ZINC000041627294 351433154 /nfs/dbraw/zinc/43/31/54/351433154.db2.gz KUUDXSBOSKAIPJ-UHFFFAOYSA-N 0 0 228.276 2.652 50 0 BFAARN Clc1cncc(Oc2ccccc2)n1 ZINC000003165148 180600272 /nfs/dbraw/zinc/60/02/72/180600272.db2.gz BXNWVXLGFGUJOW-UHFFFAOYSA-N 0 0 206.632 2.922 50 0 BFAARN Clc1cncc(OCc2ccccc2)n1 ZINC000009458321 180600324 /nfs/dbraw/zinc/60/03/24/180600324.db2.gz AOYRICZDNURREY-UHFFFAOYSA-N 0 0 220.659 2.709 50 0 BFAARN NC(=O)/C(=C/c1cccs1)c1ccsc1 ZINC000000108064 363047186 /nfs/dbraw/zinc/04/71/86/363047186.db2.gz FOKLVOVSDXOVCG-UXBLZVDNSA-N 0 0 235.333 2.836 50 0 BFAARN CCCC(=O)Nc1nnc(-c2ccco2)s1 ZINC000017246432 363057175 /nfs/dbraw/zinc/05/71/75/363057175.db2.gz ODFFBOFWIMRVHN-UHFFFAOYSA-N 0 0 237.284 2.537 50 0 BFAARN Cn1c2ccccc2nc1-c1cccc(N)c1 ZINC000019734371 180607257 /nfs/dbraw/zinc/60/72/57/180607257.db2.gz BDXPAXFHBGAKEH-UHFFFAOYSA-N 0 0 223.279 2.823 50 0 BFAARN C/C=C\C[S@@](=O)CCc1ccc(OC)cc1 ZINC000577628834 366025607 /nfs/dbraw/zinc/02/56/07/366025607.db2.gz GSJUXIOGVLZTMR-MJSXRHKHSA-N 0 0 238.352 2.563 50 0 BFAARN Cn1c(=S)[nH]nc1[C@@H]1C[C@H]1c1ccccc1 ZINC000015933419 180624540 /nfs/dbraw/zinc/62/45/40/180624540.db2.gz DHIIASXOBAVUMS-VHSXEESVSA-N 0 0 231.324 2.749 50 0 BFAARN O=C(CNc1ccccc1)Nc1ccccc1F ZINC000012536911 351994342 /nfs/dbraw/zinc/99/43/42/351994342.db2.gz UVXOTLHYOCPPBZ-UHFFFAOYSA-N 0 0 244.269 2.876 50 0 BFAARN S=C1N=NC(NCc2cccs2)S1 ZINC000000099802 187582378 /nfs/dbraw/zinc/58/23/78/187582378.db2.gz MPSGCOIDZLKDBU-UHFFFAOYSA-N 0 0 229.355 2.500 50 0 BFAARN CC(=O)Nc1ccc(C(C)(C)C)cc1NC(C)=O ZINC000000345692 187583209 /nfs/dbraw/zinc/58/32/09/187583209.db2.gz CBWWMWFGYSIBDE-UHFFFAOYSA-N 0 0 248.326 2.901 50 0 BFAARN CC(=O)N1CCCN(C)c2ccc(Cl)cc21 ZINC000089930553 187627152 /nfs/dbraw/zinc/62/71/52/187627152.db2.gz QHWJKAAXUYRENJ-UHFFFAOYSA-N 0 0 238.718 2.533 50 0 BFAARN CC(=O)N(Cc1ccsc1)CC(F)(F)F ZINC000044447419 187632771 /nfs/dbraw/zinc/63/27/71/187632771.db2.gz NZEMDBRQEVVHQT-UHFFFAOYSA-N 0 0 237.246 2.659 50 0 BFAARN O=C1Oc2ccccc2[C@H]1c1ccccc1 ZINC000100494779 187641718 /nfs/dbraw/zinc/64/17/18/187641718.db2.gz NANGQJICIOUURV-CYBMUJFWSA-N 0 0 210.232 2.738 50 0 BFAARN CC(C)(C)C1CN(C(=O)CC(C)(F)F)C1 ZINC000335100166 352386391 /nfs/dbraw/zinc/38/63/91/352386391.db2.gz LXXBGSMHEBQENL-UHFFFAOYSA-N 0 0 219.275 2.536 50 0 BFAARN CC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000335213404 352422433 /nfs/dbraw/zinc/42/24/33/352422433.db2.gz SPQZFKZDBXMWQA-ZETCQYMHSA-N 0 0 221.231 2.769 50 0 BFAARN CC(C)c1cc(C(=O)NC2CCCCC2)[nH]n1 ZINC000044820849 352434610 /nfs/dbraw/zinc/43/46/10/352434610.db2.gz PFSDNRAFBJGEST-UHFFFAOYSA-N 0 0 235.331 2.596 50 0 BFAARN CC[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000044895784 352487469 /nfs/dbraw/zinc/48/74/69/352487469.db2.gz JWDRXPHFNXBGCV-SNVBAGLBSA-N 0 0 223.291 2.531 50 0 BFAARN CC[C@H](Oc1ccccc1Cl)C(=O)N(C)C ZINC000044901433 352489107 /nfs/dbraw/zinc/48/91/07/352489107.db2.gz RXFKXTNIEFJTKW-JTQLQIEISA-N 0 0 241.718 2.586 50 0 BFAARN Cc1nn(-c2ccccc2Cl)cc1C=O ZINC000037295206 358471311 /nfs/dbraw/zinc/47/13/11/358471311.db2.gz NVGKQCRYFHREOR-UHFFFAOYSA-N 0 0 220.659 2.647 50 0 BFAARN O=C(CCOCC(F)(F)F)Nc1ccccc1 ZINC000045263402 352594032 /nfs/dbraw/zinc/59/40/32/352594032.db2.gz JXSDDVLYYAXBMA-UHFFFAOYSA-N 0 0 247.216 2.594 50 0 BFAARN CCc1n[nH]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000534647260 352599042 /nfs/dbraw/zinc/59/90/42/352599042.db2.gz KTALOLXFKWVLHF-UHFFFAOYSA-N 0 0 244.294 2.719 50 0 BFAARN Cc1cc(C)cc(Nc2ncnc3nc[nH]c32)c1 ZINC000004059874 352638382 /nfs/dbraw/zinc/63/83/82/352638382.db2.gz OWQMQPYAUSWQDX-UHFFFAOYSA-N 0 0 239.282 2.713 50 0 BFAARN Cc1nc(CN2CCCC2)n(C2CCCCC2)n1 ZINC000670473750 487535828 /nfs/dbraw/zinc/53/58/28/487535828.db2.gz PPAKNHZPVNZEJT-UHFFFAOYSA-N 0 0 248.374 2.688 50 0 BFAARN Cc1ccc(NC(=O)C2CC(F)(F)C2)cc1 ZINC000334178568 352764695 /nfs/dbraw/zinc/76/46/95/352764695.db2.gz AFBIYMFOAGYTKE-UHFFFAOYSA-N 0 0 225.238 2.979 50 0 BFAARN C[C@H]1CN(C[C@H]2CCOC2)c2ccccc21 ZINC000334221056 352823625 /nfs/dbraw/zinc/82/36/25/352823625.db2.gz WFIJWIACJJPONH-NWDGAFQWSA-N 0 0 217.312 2.647 50 0 BFAARN CC(=O)Nc1ccc2c(c1)c(C)c(C)n2C ZINC000003163443 187928047 /nfs/dbraw/zinc/92/80/47/187928047.db2.gz QOXAGVARDDRINM-UHFFFAOYSA-N 0 0 216.284 2.754 50 0 BFAARN CC(C)Cc1ccc([C@H](C)c2nc(N)n[nH]2)cc1 ZINC000040162989 187944957 /nfs/dbraw/zinc/94/49/57/187944957.db2.gz ZWUMAUZTKSMRBY-JTQLQIEISA-N 0 0 244.342 2.737 50 0 BFAARN C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000012506518 187932803 /nfs/dbraw/zinc/93/28/03/187932803.db2.gz TWIOVUXOLMANJU-RXMQYKEDSA-N 0 0 219.053 2.642 50 0 BFAARN CC/C=C/C(=O)O[C@H](C)C(=O)Nc1ccccc1 ZINC000017131971 187933393 /nfs/dbraw/zinc/93/33/93/187933393.db2.gz RHYAVEIZPBVVQZ-LLMHMKPQSA-N 0 0 247.294 2.523 50 0 BFAARN Cc1cnc(-c2ccc3ncccc3c2)nc1N ZINC000020119461 187936553 /nfs/dbraw/zinc/93/65/53/187936553.db2.gz DWZAIGSKEZXFQZ-UHFFFAOYSA-N 0 0 236.278 2.582 50 0 BFAARN CC(=O)N(CC(F)(F)F)c1ccccc1 ZINC000089930352 187973440 /nfs/dbraw/zinc/97/34/40/187973440.db2.gz JTGKNWMCMYPEMP-UHFFFAOYSA-N 0 0 217.190 2.602 50 0 BFAARN Cc1csc(NC(=O)/C=C\c2ccco2)n1 ZINC000012667637 353037739 /nfs/dbraw/zinc/03/77/39/353037739.db2.gz BWPSLDADAAYXLA-PLNGDYQASA-N 0 0 234.280 2.696 50 0 BFAARN CCOc1ccc(Br)c(C)c1N ZINC000307096874 353054592 /nfs/dbraw/zinc/05/45/92/353054592.db2.gz DCYSUHHSLURZGH-UHFFFAOYSA-N 0 0 230.105 2.738 50 0 BFAARN Cc1nc(Cl)cc(SC(C)C)n1 ZINC000052837800 353109225 /nfs/dbraw/zinc/10/92/25/353109225.db2.gz SFLRZKWDVIUXGS-UHFFFAOYSA-N 0 0 202.710 2.939 50 0 BFAARN COc1ncc(C(F)(F)F)cc1[Si](C)(C)C ZINC000196648493 188006440 /nfs/dbraw/zinc/00/64/40/188006440.db2.gz PTKZSMJUUGRURY-UHFFFAOYSA-N 0 0 249.308 2.654 50 0 BFAARN CC(=O)N1CCS[C@H](c2cccs2)CC1 ZINC000219470619 188009150 /nfs/dbraw/zinc/00/91/50/188009150.db2.gz JEXITJIYJDLKGV-NSHDSACASA-N 0 0 241.381 2.775 50 0 BFAARN Nc1ccc2[nH]nc(-c3cccs3)c2c1 ZINC000031843643 188010001 /nfs/dbraw/zinc/01/00/01/188010001.db2.gz FBUZEHZTMHGNDT-UHFFFAOYSA-N 0 0 215.281 2.874 50 0 BFAARN Cc1ccoc1C(=O)Nc1cc(C)ccn1 ZINC000027649189 188010173 /nfs/dbraw/zinc/01/01/73/188010173.db2.gz AOLXWYRDXVOLFS-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN CC(=O)OSC(C)(C)[C@@H]1CC[C@@H](C)CC1=O ZINC000238791368 188019695 /nfs/dbraw/zinc/01/96/95/188019695.db2.gz HGSQLXVPGSWSBL-PSASIEDQSA-N 0 0 244.356 2.982 50 0 BFAARN CC(C)COc1ccc(Cl)c(F)n1 ZINC000261493843 188020959 /nfs/dbraw/zinc/02/09/59/188020959.db2.gz KLLPWVPEOMBQBA-UHFFFAOYSA-N 0 0 203.644 2.909 50 0 BFAARN Cc1cc(Br)c(CO)cc1Cl ZINC000299805239 188042535 /nfs/dbraw/zinc/04/25/35/188042535.db2.gz DYYBOAXQOAZGEA-UHFFFAOYSA-N 0 0 235.508 2.903 50 0 BFAARN CCn1c2ccccc2nc1[C@H]1CCCO1 ZINC000004386846 188004915 /nfs/dbraw/zinc/00/49/15/188004915.db2.gz RTVLHXYBEKPZNC-GFCCVEGCSA-N 0 0 216.284 2.908 50 0 BFAARN FC(F)(F)c1cnc(Cl)nc1Cl ZINC000002580954 180896522 /nfs/dbraw/zinc/89/65/22/180896522.db2.gz IDRUEHMBFUJKAK-UHFFFAOYSA-N 0 0 216.977 2.802 50 0 BFAARN CC(=O)CCc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000008738507 188269638 /nfs/dbraw/zinc/26/96/38/188269638.db2.gz VBAFYOQIWGMAQE-UHFFFAOYSA-N 0 0 243.306 2.667 50 0 biogenic BFAARN C/C(=C\C(=O)N[C@H](C)c1ccccn1)C1CC1 ZINC000096309019 188271948 /nfs/dbraw/zinc/27/19/48/188271948.db2.gz CFGXIDYFKGTKHP-PBQZMEPESA-N 0 0 230.311 2.615 50 0 BFAARN Cc1ccc(/C=C/C(=O)NCc2ccccc2)o1 ZINC000000106410 188272541 /nfs/dbraw/zinc/27/25/41/188272541.db2.gz RWPSQULMQXEMSN-MDZDMXLPSA-N 0 0 241.290 2.918 50 0 BFAARN Cc1ccc(SC(=O)c2csnn2)cc1 ZINC000000106139 188272754 /nfs/dbraw/zinc/27/27/54/188272754.db2.gz NBERRLNQBHIHEK-UHFFFAOYSA-N 0 0 236.321 2.779 50 0 BFAARN COc1c(NC(=O)N(C)C)csc1Cl ZINC000000165906 188272817 /nfs/dbraw/zinc/27/28/17/188272817.db2.gz PTCDRWSSPGZWBH-UHFFFAOYSA-N 0 0 234.708 2.504 50 0 BFAARN Cc1c(C)c(NC=O)ccc1Br ZINC000000466154 188272932 /nfs/dbraw/zinc/27/29/32/188272932.db2.gz DUZUSGDMMRYUBZ-UHFFFAOYSA-N 0 0 228.089 2.634 50 0 BFAARN C/C=C/c1ccc(OC(C)=O)c(OC)c1 ZINC000000393724 188272951 /nfs/dbraw/zinc/27/29/51/188272951.db2.gz IUSBVFZKQJGVEP-SNAWJCMRSA-N 0 0 206.241 2.654 50 0 endogenous,in-man BFAARN CNC(=O)c1ccccc1Cc1ccccc1 ZINC000000396951 188273099 /nfs/dbraw/zinc/27/30/99/188273099.db2.gz PFDZAYFQPDJTKK-UHFFFAOYSA-N 0 0 225.291 2.637 50 0 BFAARN O=C(NC(=O)c1ccccc1)Nc1ccccc1 ZINC000001391253 188273162 /nfs/dbraw/zinc/27/31/62/188273162.db2.gz ZWYSLPOHOBPSLC-UHFFFAOYSA-N 0 0 240.262 2.649 50 0 BFAARN CC1=CC2(CC[C@H]1CO)SCCS2 ZINC000000392829 188273198 /nfs/dbraw/zinc/27/31/98/188273198.db2.gz IACAFCIJTWHDCF-VIFPVBQESA-N 0 0 216.371 2.511 50 0 BFAARN CCn1nccc1C(=O)Nc1ccc(C)c(C)c1 ZINC000000800742 188273329 /nfs/dbraw/zinc/27/33/29/188273329.db2.gz KNMZAGSTAKJDDL-UHFFFAOYSA-N 0 0 243.310 2.772 50 0 BFAARN CC(C)(C)c1ccc(NC(N)=S)cc1 ZINC000000402156 188273442 /nfs/dbraw/zinc/27/34/42/188273442.db2.gz CDQMIFDISMKPDE-UHFFFAOYSA-N 0 0 208.330 2.640 50 0 BFAARN COc1cccc(NC(=O)/C=C/c2ccco2)c1 ZINC000000574530 188273450 /nfs/dbraw/zinc/27/34/50/188273450.db2.gz FEZDGFGQUNISGF-BQYQJAHWSA-N 0 0 243.262 2.940 50 0 BFAARN CC(=O)Nc1nnc(-c2ccc(C)c(C)c2)s1 ZINC000000618264 188273568 /nfs/dbraw/zinc/27/35/68/188273568.db2.gz JZTVLOSSEDKVAE-UHFFFAOYSA-N 0 0 247.323 2.780 50 0 BFAARN CC(=O)Cc1ccccc1OC(=O)c1ccco1 ZINC000000364668 188273642 /nfs/dbraw/zinc/27/36/42/188273642.db2.gz MYKTWAHVSFVJHV-UHFFFAOYSA-N 0 0 244.246 2.630 50 0 BFAARN C/C=C/C(=O)OCC(=O)c1cccc(Cl)c1 ZINC000003228167 188275325 /nfs/dbraw/zinc/27/53/25/188275325.db2.gz OJHZKIDMZOVLMB-DUXPYHPUSA-N 0 0 238.670 2.642 50 0 BFAARN CCc1ccc(OCCn2cccn2)cc1 ZINC000004106956 188275467 /nfs/dbraw/zinc/27/54/67/188275467.db2.gz JGNMLWZGRWHBPH-UHFFFAOYSA-N 0 0 216.284 2.525 50 0 BFAARN COc1ccc(Br)c(CN(C)C)c1 ZINC000004235232 188276733 /nfs/dbraw/zinc/27/67/33/188276733.db2.gz KMYPJJLCQWNEKN-UHFFFAOYSA-N 0 0 244.132 2.519 50 0 BFAARN Cc1ccnc(NC(=O)c2cccnc2Cl)c1 ZINC000005936271 188277258 /nfs/dbraw/zinc/27/72/58/188277258.db2.gz LIYKEFYLJCGLDA-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN CC(C)c1ccccc1NC(=O)[C@@H]1CCCO1 ZINC000005384805 188277937 /nfs/dbraw/zinc/27/79/37/188277937.db2.gz MCYFYOCUNCVYQJ-ZDUSSCGKSA-N 0 0 233.311 2.928 50 0 BFAARN Cc1cc2n(n1)S[C@H](Nc1ccccc1)N2 ZINC000013132461 188279896 /nfs/dbraw/zinc/27/98/96/188279896.db2.gz GRUDNJWCIFKAFB-LLVKDONJSA-N 0 0 232.312 2.509 50 0 BFAARN Clc1ccc(C2N3CCCCN23)cc1 ZINC000019166901 188281192 /nfs/dbraw/zinc/28/11/92/188281192.db2.gz HBAJHOSTAJJISF-UHFFFAOYSA-N 0 0 208.692 2.665 50 0 BFAARN O=C(CCc1ccco1)Nc1ccccc1O ZINC000023074515 188282953 /nfs/dbraw/zinc/28/29/53/188282953.db2.gz DLUAEUHHADONBK-UHFFFAOYSA-N 0 0 231.251 2.557 50 0 BFAARN Cc1c2sc(N)nc2ccc1Br ZINC000022636591 188282962 /nfs/dbraw/zinc/28/29/62/188282962.db2.gz XKVYZENTNKBZCD-UHFFFAOYSA-N 0 0 243.129 2.949 50 0 BFAARN COc1ccc(OC)c(NC(=O)C=C(C)C)c1 ZINC000022928680 188283199 /nfs/dbraw/zinc/28/31/99/188283199.db2.gz SIOULVGQXKBFSI-UHFFFAOYSA-N 0 0 235.283 2.609 50 0 BFAARN CC(=O)c1ccc(C2CCN(C(C)=O)CC2)cc1 ZINC000039432208 188283958 /nfs/dbraw/zinc/28/39/58/188283958.db2.gz RFNDDQWCBIIVMM-UHFFFAOYSA-N 0 0 245.322 2.615 50 0 BFAARN C=CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000036334209 188286158 /nfs/dbraw/zinc/28/61/58/188286158.db2.gz GNPRFMAXHDFXQH-UHFFFAOYSA-N 0 0 229.201 2.508 50 0 BFAARN C[C@@H]1C[C@H]1c1cc(N)n(-c2ccccc2)n1 ZINC000036938405 188286184 /nfs/dbraw/zinc/28/61/84/188286184.db2.gz ZWVAZCFZYJSBEE-MWLCHTKSSA-N 0 0 213.284 2.578 50 0 BFAARN C=CC(=O)Nc1ccccc1C(F)(F)F ZINC000036334192 188286367 /nfs/dbraw/zinc/28/63/67/188286367.db2.gz NHFXQZUVAMCIIX-UHFFFAOYSA-N 0 0 215.174 2.830 50 0 BFAARN CCOC(=O)C[C@@H](C)CC(=O)c1ccccc1 ZINC000039249324 188290498 /nfs/dbraw/zinc/29/04/98/188290498.db2.gz YBWFBAQVWOMRQV-NSHDSACASA-N 0 0 234.295 2.849 50 0 BFAARN CC(C)=CC(=O)NCc1cc(F)cc(F)c1 ZINC000040504520 188291641 /nfs/dbraw/zinc/29/16/41/188291641.db2.gz QZSCRGZJRKYXGD-UHFFFAOYSA-N 0 0 225.238 2.547 50 0 BFAARN CC(C)N(C(=O)CN(C)c1ccccc1)C(C)C ZINC000040161797 188292310 /nfs/dbraw/zinc/29/23/10/188292310.db2.gz IVYAAEOOKNYOPG-UHFFFAOYSA-N 0 0 248.370 2.768 50 0 BFAARN COc1cccc(Br)c1C ZINC000040571717 188292823 /nfs/dbraw/zinc/29/28/23/188292823.db2.gz SBMVNLFBEJAXFY-UHFFFAOYSA-N 0 0 201.063 2.766 50 0 BFAARN CC(C)C[C@H](C)N(C)C(=O)Cc1cccc(O)c1 ZINC000042592639 188293466 /nfs/dbraw/zinc/29/34/66/188293466.db2.gz CPUQJGMJVZUTIH-LBPRGKRZSA-N 0 0 249.354 2.828 50 0 BFAARN CC(=O)OC[C@@]12CO[C@H](C)[C@@H](C1)C(C)=C[C@@H]2C ZINC000043959280 188296548 /nfs/dbraw/zinc/29/65/48/188296548.db2.gz FLTREWUZEUGCGE-XCCSTKFXSA-N 0 0 238.327 2.557 50 0 BFAARN CC(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000044585771 188296557 /nfs/dbraw/zinc/29/65/57/188296557.db2.gz RFNNZEANGIZSJO-UHFFFAOYSA-N 0 0 242.278 2.619 50 0 BFAARN Clc1nc2c(cccc2Br)[nH]1 ZINC000057348360 188301740 /nfs/dbraw/zinc/30/17/40/188301740.db2.gz SFLGDRWZKXLGMH-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Clc1nc2c(nc1Cl)CCCC2 ZINC000095829166 188321532 /nfs/dbraw/zinc/32/15/32/188321532.db2.gz CRLMOTHZSCQMCW-UHFFFAOYSA-N 0 0 203.072 2.662 50 0 BFAARN FCCOc1ccc(Br)cc1 ZINC000034450112 180935753 /nfs/dbraw/zinc/93/57/53/180935753.db2.gz HCSATMHJZXLZDU-UHFFFAOYSA-N 0 0 219.053 2.797 50 0 BFAARN C[NH2+]Cc1ccc(Cl)cc1Br ZINC000084530233 188317042 /nfs/dbraw/zinc/31/70/42/188317042.db2.gz JBVUBUUOLJPJTJ-UHFFFAOYSA-N 0 0 234.524 2.822 50 0 BFAARN Clc1ccc(Br)c2nccn21 ZINC000089202406 188318093 /nfs/dbraw/zinc/31/80/93/188318093.db2.gz IKTBDXFAMYTCBS-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN CC(=O)N(C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000089922631 188318220 /nfs/dbraw/zinc/31/82/20/188318220.db2.gz UAUHMRPDCZAPLH-UXUKBGGZSA-N 0 0 239.359 2.593 50 0 BFAARN CC(=O)N1CCCC2(C1)CCCCCC2 ZINC000095403671 188319435 /nfs/dbraw/zinc/31/94/35/188319435.db2.gz JPZFTAQMOATKEN-UHFFFAOYSA-N 0 0 209.333 2.969 50 0 BFAARN CC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000095350999 188319567 /nfs/dbraw/zinc/31/95/67/188319567.db2.gz ZLIJQHKPEOVNPO-CYBMUJFWSA-N 0 0 221.275 2.803 50 0 BFAARN COc1cc(C)c(Br)cc1F ZINC000114114978 188327264 /nfs/dbraw/zinc/32/72/64/188327264.db2.gz IVPVTTXBBADNFC-UHFFFAOYSA-N 0 0 219.053 2.905 50 0 BFAARN C[C@H](Cc1ccc(F)cc1)Nc1c[nH]cn1 ZINC000225510813 188329640 /nfs/dbraw/zinc/32/96/40/188329640.db2.gz HEAQJRQWZHBVJN-SECBINFHSA-N 0 0 219.263 2.592 50 0 BFAARN Cc1ccnc(NC(=O)c2ccccc2)c1 ZINC000000236171 188333513 /nfs/dbraw/zinc/33/35/13/188333513.db2.gz MZJNCQDFJNTQCK-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN CC(C)CSCCCOc1cnn(C)c1 ZINC000193523529 188351888 /nfs/dbraw/zinc/35/18/88/188351888.db2.gz WVRGUCUORKUBNH-UHFFFAOYSA-N 0 0 228.361 2.578 50 0 BFAARN CCOc1cccc2sc(=N)n(CC)c21 ZINC000225520812 188358209 /nfs/dbraw/zinc/35/82/09/188358209.db2.gz BPROQUYLVDDYQZ-UHFFFAOYSA-N 0 0 222.313 2.601 50 0 BFAARN Fc1cc2c(cc1Br)CCCN2 ZINC000047845039 180955985 /nfs/dbraw/zinc/95/59/85/180955985.db2.gz LFAMFIYRRFZFHT-UHFFFAOYSA-N 0 0 230.080 2.946 50 0 BFAARN CC(=O)Cc1ccc(OCC2CC2)cc1 ZINC000122887761 188364014 /nfs/dbraw/zinc/36/40/14/188364014.db2.gz GYAHPYJUFNRRKX-UHFFFAOYSA-N 0 0 204.269 2.607 50 0 BFAARN C/C=C/C=C\C(=O)NCCc1ccc(F)cc1 ZINC000096647425 188365578 /nfs/dbraw/zinc/36/55/78/188365578.db2.gz JUDGPGHWWAGNBI-IAROGAJJSA-N 0 0 233.286 2.617 50 0 BFAARN Fc1cc2nc3c(nc2cc1F)CCCC3 ZINC000005749230 180957178 /nfs/dbraw/zinc/95/71/78/180957178.db2.gz MSECKZNHHCTXHS-UHFFFAOYSA-N 0 0 220.222 2.787 50 0 BFAARN Cc1nscc1C(=O)OCc1cccc(C)n1 ZINC000252511311 188369927 /nfs/dbraw/zinc/36/99/27/188369927.db2.gz ZXTHDONEDXXVNL-UHFFFAOYSA-N 0 0 248.307 2.512 50 0 BFAARN Fc1cccc(OCCn2ccc(Cl)n2)c1 ZINC000095941885 181002545 /nfs/dbraw/zinc/00/25/45/181002545.db2.gz OMZRTBKKTKCVFP-UHFFFAOYSA-N 0 0 240.665 2.755 50 0 BFAARN Fc1cccc2[nH]c(C(F)(F)F)nc21 ZINC000070236084 181004078 /nfs/dbraw/zinc/00/40/78/181004078.db2.gz KJUWDDLXAIAGAQ-UHFFFAOYSA-N 0 0 204.126 2.721 50 0 BFAARN Fc1ccccc1-c1ccnc(Cl)n1 ZINC000038580178 181009003 /nfs/dbraw/zinc/00/90/03/181009003.db2.gz RXRFHCCURMZMJW-UHFFFAOYSA-N 0 0 208.623 2.936 50 0 BFAARN Fc1ccccc1-c1nc(-c2cccnc2)no1 ZINC000000468012 181009656 /nfs/dbraw/zinc/00/96/56/181009656.db2.gz YJIUUMGJBJYCGM-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN Fc1nc(OCC2CC2)ccc1Br ZINC000261493991 181021524 /nfs/dbraw/zinc/02/15/24/181021524.db2.gz NJVZHVHKUAEMIS-UHFFFAOYSA-N 0 0 246.079 2.772 50 0 BFAARN Cc1csc(-c2noc(C(C)(C)F)n2)n1 ZINC000334615777 354302558 /nfs/dbraw/zinc/30/25/58/354302558.db2.gz KRGOCZHIEPELNP-UHFFFAOYSA-N 0 0 227.264 2.706 50 0 BFAARN O=C(NCC1CC1)[C@H]1CCCc2ccccc21 ZINC000032760387 354543803 /nfs/dbraw/zinc/54/38/03/354543803.db2.gz BVGGZLIIGHYEOM-AWEZNQCLSA-N 0 0 229.323 2.633 50 0 BFAARN Cc1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cn1 ZINC000032788227 354580894 /nfs/dbraw/zinc/58/08/94/354580894.db2.gz CFCMDJONDZQAJP-LLVKDONJSA-N 0 0 234.343 2.897 50 0 BFAARN Cc1ncsc1C(=O)N(C)Cc1ccccc1 ZINC000040529160 358494229 /nfs/dbraw/zinc/49/42/29/358494229.db2.gz CITJHQBCXLUOBK-UHFFFAOYSA-N 0 0 246.335 2.724 50 0 BFAARN O=c1ccc(-c2cccnc2)c(C(F)(F)F)[nH]1 ZINC000047213827 355366947 /nfs/dbraw/zinc/36/69/47/355366947.db2.gz OHBKPEJGJVBILN-UHFFFAOYSA-N 0 0 240.184 2.868 50 0 BFAARN Nc1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000001439834 355361079 /nfs/dbraw/zinc/36/10/79/355361079.db2.gz SUXCRRZYROZECQ-MRVPVSSYSA-N 0 0 202.084 2.930 50 0 BFAARN CCCCC[S@](=O)c1ccc(C)cn1 ZINC000191183547 168747900 /nfs/dbraw/zinc/74/79/00/168747900.db2.gz OKLSCJJWLCVDKG-AWEZNQCLSA-N 0 0 211.330 2.688 50 0 BFAARN NC1=NC(=O)SC1=Cc1cccs1 ZINC000019358610 181207649 /nfs/dbraw/zinc/20/76/49/181207649.db2.gz ZJJUMFGAKUTYST-XQRVVYSFSA-N 0 0 210.283 2.523 50 0 BFAARN COC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C ZINC000001459109 355769486 /nfs/dbraw/zinc/76/94/86/355769486.db2.gz KWEIDPGSIAMSON-LLVKDONJSA-N 0 0 222.284 2.552 50 0 BFAARN COC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000001459369 355770208 /nfs/dbraw/zinc/77/02/08/355770208.db2.gz IIAVBDCSUIHSHC-SNVBAGLBSA-N 0 0 222.284 2.750 50 0 BFAARN CCCC(=O)c1cnn(-c2ccccc2)c1 ZINC000005950963 355730499 /nfs/dbraw/zinc/73/04/99/355730499.db2.gz DZCPWLHERLHOPT-UHFFFAOYSA-N 0 0 214.268 2.855 50 0 BFAARN O[C@H]1CCCC[C@@H]1Nc1cccc(F)c1F ZINC000040230484 355814693 /nfs/dbraw/zinc/81/46/93/355814693.db2.gz ZUGHOLBBPUTODQ-ONGXEEELSA-N 0 0 227.254 2.680 50 0 BFAARN Fc1ccc(CSc2ccncc2)nc1 ZINC000336046693 134063497 /nfs/dbraw/zinc/06/34/97/134063497.db2.gz ZPOCAXWAABABHU-UHFFFAOYSA-N 0 0 220.272 2.908 50 0 BFAARN COc1ccccc1NC(=O)NCc1ccoc1 ZINC000047688200 356136923 /nfs/dbraw/zinc/13/69/23/356136923.db2.gz SQISBRYPBHUUGA-UHFFFAOYSA-N 0 0 246.266 2.610 50 0 BFAARN NC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000076019004 181263236 /nfs/dbraw/zinc/26/32/36/181263236.db2.gz WYWNOYYVYRZYAR-UHFFFAOYSA-N 0 0 234.299 2.636 50 0 BFAARN NC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000001853758 181262511 /nfs/dbraw/zinc/26/25/11/181262511.db2.gz ABBMQADJUMXTAJ-UHFFFAOYSA-N 0 0 228.251 2.970 50 0 BFAARN CCCCN(C)C(=O)Nc1cc(C)ccn1 ZINC000097372771 168761458 /nfs/dbraw/zinc/76/14/58/168761458.db2.gz YIPNOUCEXZLCNF-UHFFFAOYSA-N 0 0 221.304 2.654 50 0 BFAARN COc1ccc(CCC(=O)N2CCCCC2)cc1 ZINC000006128026 356316102 /nfs/dbraw/zinc/31/61/02/356316102.db2.gz BMAQZABVIDURLI-UHFFFAOYSA-N 0 0 247.338 2.640 50 0 BFAARN CCN(CC)C(=O)[C@@H](C)Cc1ccccc1 ZINC000000409779 356359380 /nfs/dbraw/zinc/35/93/80/356359380.db2.gz ZOPLQKBSKLODCX-LBPRGKRZSA-N 0 0 219.328 2.734 50 0 BFAARN NC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000000401169 181265965 /nfs/dbraw/zinc/26/59/65/181265965.db2.gz BDIDGNORHMTFLX-HWOWSKLDSA-N 0 0 249.313 2.769 50 0 BFAARN CCCCC[C@H]1COCC[C@@H]1OC(C)=O ZINC000002166744 356365330 /nfs/dbraw/zinc/36/53/30/356365330.db2.gz VSRVCSJJKWDZSH-RYUDHWBXSA-N 0 0 214.305 2.535 50 0 BFAARN O=c1cc[nH]c2cc(Cl)cc(Cl)c12 ZINC000008648556 356404604 /nfs/dbraw/zinc/40/46/04/356404604.db2.gz GESHSYASHHORJB-UHFFFAOYSA-N 0 0 214.051 2.835 50 0 BFAARN CCCCN(C)C(=O)c1cccc(NC(C)=O)c1 ZINC000012784998 168765485 /nfs/dbraw/zinc/76/54/85/168765485.db2.gz IVFFDGDTWVUSOW-UHFFFAOYSA-N 0 0 248.326 2.517 50 0 BFAARN CC(C)(C)c1ccc2[nH]c(=O)c(C=O)cc2c1 ZINC000011956149 363471949 /nfs/dbraw/zinc/47/19/49/363471949.db2.gz GGWCVKXTBJCDNV-UHFFFAOYSA-N 0 0 229.279 2.638 50 0 BFAARN CCCn1c(C)c(C(=O)OC)c2cc(O)ccc21 ZINC000015932541 356616872 /nfs/dbraw/zinc/61/68/72/356616872.db2.gz NAEAVFLBAODGOC-UHFFFAOYSA-N 0 0 247.294 2.852 50 0 BFAARN CCN(C(=O)NC1CCCCC1)c1ccncc1 ZINC000089977076 538589983 /nfs/dbraw/zinc/58/99/83/538589983.db2.gz XYXDQDLJZKMSFJ-UHFFFAOYSA-N 0 0 247.342 2.950 50 0 BFAARN CC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000095068006 538601573 /nfs/dbraw/zinc/60/15/73/538601573.db2.gz PXOCBLMTJDGHKK-QWRGUYRKSA-N 0 0 241.331 2.659 50 0 BFAARN C[C@@]1(C(=O)Nc2ccccc2O)CCCS1 ZINC000095442657 538606909 /nfs/dbraw/zinc/60/69/09/538606909.db2.gz HGRXRRRDOHEJIR-LBPRGKRZSA-N 0 0 237.324 2.616 50 0 BFAARN CC(=O)N[C@H](c1cc(F)ccc1F)C1CC1 ZINC000095403708 538607169 /nfs/dbraw/zinc/60/71/69/538607169.db2.gz WOYWMMNCJIRIIL-LBPRGKRZSA-N 0 0 225.238 2.552 50 0 BFAARN O=C(C1CCCCC1)N1CCc2cnccc21 ZINC000095960329 538610840 /nfs/dbraw/zinc/61/08/40/538610840.db2.gz CMZUTRCTMGHXDA-UHFFFAOYSA-N 0 0 230.311 2.551 50 0 BFAARN CN(C(=O)CCCC1CCCC1)c1ccnn1C ZINC000074959049 356761801 /nfs/dbraw/zinc/76/18/01/356761801.db2.gz LGTPNHBWBVREPG-UHFFFAOYSA-N 0 0 249.358 2.743 50 0 BFAARN COc1ccc(/C=C(/SC)[S@](C)=O)cc1 ZINC000075261146 356924107 /nfs/dbraw/zinc/92/41/07/356924107.db2.gz YFURDRITMJHYBS-MEODZPNASA-N 0 0 242.365 2.735 50 0 BFAARN C[C@H](NC(=O)c1cccnc1)c1cccc(F)c1 ZINC000012932854 538778276 /nfs/dbraw/zinc/77/82/76/538778276.db2.gz BFBXPBLEYCPJIT-JTQLQIEISA-N 0 0 244.269 2.712 50 0 BFAARN C[C@@H](NC(=O)c1cccnc1)c1cccc(F)c1 ZINC000012932850 538777992 /nfs/dbraw/zinc/77/79/92/538777992.db2.gz BFBXPBLEYCPJIT-SNVBAGLBSA-N 0 0 244.269 2.712 50 0 BFAARN Fc1ccc(Cl)c(CSc2nc[nH]n2)c1 ZINC000390835711 357114488 /nfs/dbraw/zinc/11/44/88/357114488.db2.gz VRDFYRIDYHQAJQ-UHFFFAOYSA-N 0 0 243.694 2.890 50 0 BFAARN O=C(c1ccc(Cl)cc1)N1CC(C(F)F)C1 ZINC000585391490 538798970 /nfs/dbraw/zinc/79/89/70/538798970.db2.gz MWBQQMYAUZPCDH-UHFFFAOYSA-N 0 0 245.656 2.677 50 0 BFAARN Cc1nc(CNc2ccc(C)nc2C)[nH]c1C ZINC000582615930 357353124 /nfs/dbraw/zinc/35/31/24/357353124.db2.gz BISDSNDIYWTNRG-UHFFFAOYSA-N 0 0 230.315 2.650 50 0 BFAARN CCc1c(C)c2c(O)cc(C)cc2oc1=O ZINC000011765935 357444812 /nfs/dbraw/zinc/44/48/12/357444812.db2.gz BLOCSYJJIPXPSA-UHFFFAOYSA-N 0 0 218.252 2.678 50 0 BFAARN NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000005059651 181291737 /nfs/dbraw/zinc/29/17/37/181291737.db2.gz VOTVXDLPEPZGRT-UHFFFAOYSA-N 0 0 221.643 2.699 50 0 BFAARN NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000004858383 181292419 /nfs/dbraw/zinc/29/24/19/181292419.db2.gz VQMXMQWQEILHQK-UHFFFAOYSA-N 0 0 211.220 2.685 50 0 BFAARN CC(=O)c1sccc1Br ZINC000000153408 166492808 /nfs/dbraw/zinc/49/28/08/166492808.db2.gz ZUXPELAHJQSZTE-UHFFFAOYSA-N 0 0 205.076 2.713 50 0 BFAARN CCCc1cc(CN(C)Cc2ccoc2)[nH]n1 ZINC000065408172 535396862 /nfs/dbraw/zinc/39/68/62/535396862.db2.gz VLWWBVPNFGRTIU-UHFFFAOYSA-N 0 0 233.315 2.587 50 0 BFAARN CC(=O)Oc1ccc(OC(C)=O)c2ccccc12 ZINC000001661219 358138384 /nfs/dbraw/zinc/13/83/84/358138384.db2.gz SFAVMNCWIUOBCX-UHFFFAOYSA-N 0 0 244.246 2.690 50 0 BFAARN CC[C@H](C)Oc1cc(Cl)nc(C)n1 ZINC000052835002 358233164 /nfs/dbraw/zinc/23/31/64/358233164.db2.gz RNJQNJGTUUSIIQ-LURJTMIESA-N 0 0 200.669 2.616 50 0 BFAARN C[C@@H]1CCCN1C(=O)C1CCCCCC1 ZINC000173142692 134272701 /nfs/dbraw/zinc/27/27/01/134272701.db2.gz GEFGYCQFRGFHIC-LLVKDONJSA-N 0 0 209.333 2.968 50 0 BFAARN CCN1C(=O)S/C(=C/c2cccs2)C1=O ZINC000004949660 358416828 /nfs/dbraw/zinc/41/68/28/358416828.db2.gz CXWWHVLRKHXUMR-SOFGYWHQSA-N 0 0 239.321 2.804 50 0 BFAARN O=C(c1ccoc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000040480989 358431569 /nfs/dbraw/zinc/43/15/69/358431569.db2.gz VHMFDHKEXYWMSB-VIFPVBQESA-N 0 0 247.216 2.694 50 0 BFAARN O=C1Cc2ccccc2N1Cc1ccccc1 ZINC000012376448 358432488 /nfs/dbraw/zinc/43/24/88/358432488.db2.gz QHXKZUNCOGOKRX-UHFFFAOYSA-N 0 0 223.275 2.776 50 0 BFAARN COC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000003995629 359650792 /nfs/dbraw/zinc/65/07/92/359650792.db2.gz FXADKFCOMRXOSI-UHFFFAOYSA-N 0 0 223.316 2.559 50 0 BFAARN O=C(c1ccco1)N1CCC[C@H](C(F)(F)F)C1 ZINC000006508921 359781404 /nfs/dbraw/zinc/78/14/04/359781404.db2.gz QIQAHLBGQNWKTC-QMMMGPOBSA-N 0 0 247.216 2.694 50 0 BFAARN O=C(c1ccnn1C1CCCC1)N1CCCCC1 ZINC000095419023 360336961 /nfs/dbraw/zinc/33/69/61/360336961.db2.gz GJAWHTLNDBXJBU-UHFFFAOYSA-N 0 0 247.342 2.624 50 0 BFAARN CC(=O)NCC(C)(C)c1c(F)cccc1Cl ZINC000095403641 360337057 /nfs/dbraw/zinc/33/70/57/360337057.db2.gz DCRKZTNAJHKQJR-UHFFFAOYSA-N 0 0 243.709 2.893 50 0 BFAARN CCn1c2cc(F)ccc2nc1-c1csnn1 ZINC000096001585 360343709 /nfs/dbraw/zinc/34/37/09/360343709.db2.gz IFNZHACXIBTZFE-UHFFFAOYSA-N 0 0 248.286 2.714 50 0 BFAARN NC(=O)c1ccc(Oc2cccc(F)c2)cc1 ZINC000069367564 181300775 /nfs/dbraw/zinc/30/07/75/181300775.db2.gz UVPWVKAUVBEXCO-UHFFFAOYSA-N 0 0 231.226 2.717 50 0 BFAARN Cc1nc(Cn2nnc3ccccc32)sc1C ZINC000005378477 360487660 /nfs/dbraw/zinc/48/76/60/360487660.db2.gz LLDGRZBOQNKGDE-UHFFFAOYSA-N 0 0 244.323 2.553 50 0 BFAARN CC1(C)CNC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000027061958 360513634 /nfs/dbraw/zinc/51/36/34/360513634.db2.gz WICIBBDTLKQCBP-JTQLQIEISA-N 0 0 238.718 2.720 50 0 BFAARN Brc1nccc2ccccc21 ZINC000008382274 219810472 /nfs/dbraw/zinc/81/04/72/219810472.db2.gz YWWZASFPWWPUBN-UHFFFAOYSA-N 0 0 208.058 2.997 50 0 BFAARN O=C(NCc1ccc(Cl)cc1)c1ccccn1 ZINC000006649894 360543297 /nfs/dbraw/zinc/54/32/97/360543297.db2.gz CJNIVNCTCNIRSY-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN Cc1ccc(NC(=O)N2CCCC2)cc1C ZINC000006726378 360681414 /nfs/dbraw/zinc/68/14/14/360681414.db2.gz UWQOYLMWHTVYBH-UHFFFAOYSA-N 0 0 218.300 2.931 50 0 BFAARN O=C(CCc1ccco1)Nc1ccccc1 ZINC000036140331 360658873 /nfs/dbraw/zinc/65/88/73/360658873.db2.gz BYXMJELGZSRWNT-UHFFFAOYSA-N 0 0 215.252 2.851 50 0 BFAARN O=C1C2CCN(CC2)[C@H]1Cc1ccc(Cl)cc1 ZINC000063110723 200659697 /nfs/dbraw/zinc/65/96/97/200659697.db2.gz JFDIFARZZMLJRR-ZDUSSCGKSA-N 0 0 249.741 2.546 50 0 BFAARN CC(=O)Nc1c(C)c(C)c(NC(C)=O)c(C)c1C ZINC000071774219 200661085 /nfs/dbraw/zinc/66/10/85/200661085.db2.gz BEVBUPBUAZWGSF-UHFFFAOYSA-N 0 0 248.326 2.837 50 0 BFAARN CC(C)C[C@H]([NH2+]C/C=C/c1ccccc1)C(=O)[O-] ZINC000041689555 200655255 /nfs/dbraw/zinc/65/52/55/200655255.db2.gz NALTXKUJVSJCET-MRZGDXHCSA-N 0 0 247.338 2.789 50 0 biogenic BFAARN C/C=C/C=C/C(=O)NCc1ccc(F)cc1 ZINC000006784313 360782521 /nfs/dbraw/zinc/78/25/21/360782521.db2.gz IOFLAOIRUCCRRC-MQQKCMAXSA-N 0 0 219.259 2.574 50 0 BFAARN Cc1ccc(NC(=S)NCC(C)C)cc1 ZINC000008684853 200725634 /nfs/dbraw/zinc/72/56/34/200725634.db2.gz ZRTIOBIGYIOQDA-UHFFFAOYSA-N 0 0 222.357 2.937 50 0 BFAARN NC(=S)COc1ccc(Cl)cc1Cl ZINC000002555668 181315905 /nfs/dbraw/zinc/31/59/05/181315905.db2.gz AGDXYFYNDRKKSF-UHFFFAOYSA-N 0 0 236.123 2.658 50 0 BFAARN NC(=S)NC(c1ccccc1)c1ccccc1 ZINC000001708765 181318514 /nfs/dbraw/zinc/31/85/14/181318514.db2.gz ORTDRGIAWHXESM-UHFFFAOYSA-N 0 0 242.347 2.609 50 0 BFAARN NC(=S)Nc1cc(Cl)ccc1Cl ZINC000013658984 181319332 /nfs/dbraw/zinc/31/93/32/181319332.db2.gz UQCOANNCPUOZNW-UHFFFAOYSA-N 0 0 221.112 2.649 50 0 BFAARN CCC[C@H](NC(=O)c1ccn[nH]1)c1ccccc1 ZINC000036393865 361079413 /nfs/dbraw/zinc/07/94/13/361079413.db2.gz XSPZOTRUNZFIQK-LBPRGKRZSA-N 0 0 243.310 2.681 50 0 BFAARN C[C@@H](Nc1nc2ccccc2o1)[C@H]1CCCO1 ZINC000037998871 361092644 /nfs/dbraw/zinc/09/26/44/361092644.db2.gz QBGNQXMVEOBHOP-MWLCHTKSSA-N 0 0 232.283 2.807 50 0 BFAARN C[C@@H](Nc1nc2ccccc2o1)[C@@H]1CCCO1 ZINC000037998869 361095696 /nfs/dbraw/zinc/09/56/96/361095696.db2.gz QBGNQXMVEOBHOP-KOLCDFICSA-N 0 0 232.283 2.807 50 0 BFAARN CC[C@H]1CSC(Nc2ccccc2OC)=N1 ZINC000006910803 361131729 /nfs/dbraw/zinc/13/17/29/361131729.db2.gz YGJZHMZXLORZDM-VIFPVBQESA-N 0 0 236.340 2.989 50 0 BFAARN CC(=O)N1CCC(CCOc2ccccc2)CC1 ZINC000065180589 361161135 /nfs/dbraw/zinc/16/11/35/361161135.db2.gz ZJWATUSLXXGEHX-UHFFFAOYSA-N 0 0 247.338 2.714 50 0 BFAARN CC(C)(C(N)=O)c1ccc(-c2cccnc2)cc1 ZINC000426510454 200989777 /nfs/dbraw/zinc/98/97/77/200989777.db2.gz VCOZMZAMBHWVLV-UHFFFAOYSA-N 0 0 240.306 2.512 50 0 BFAARN CCOc1ncccc1-c1cnc(C)c(C)n1 ZINC000426519211 200993413 /nfs/dbraw/zinc/99/34/13/200993413.db2.gz HJHXAZSDGQAUNU-UHFFFAOYSA-N 0 0 229.283 2.554 50 0 BFAARN Cc1cc(-c2cnn([C@@H]3CCCCO3)c2)ccn1 ZINC000426658315 200995094 /nfs/dbraw/zinc/99/50/94/200995094.db2.gz JQIWKIYONNHAQG-AWEZNQCLSA-N 0 0 243.310 2.953 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000249233133 361329242 /nfs/dbraw/zinc/32/92/42/361329242.db2.gz KNCUBBURLBIXPJ-SWHYSGLUSA-N 0 0 229.323 2.788 50 0 BFAARN CC(C)(C)C(=O)NCc1ccnc2ccccc12 ZINC000074858961 541316632 /nfs/dbraw/zinc/31/66/32/541316632.db2.gz PWVCOHXLQKSMFS-UHFFFAOYSA-N 0 0 242.322 2.897 50 0 BFAARN O=Cc1ccc(-c2noc(C3CCC3)n2)cc1 ZINC000725273539 541340532 /nfs/dbraw/zinc/34/05/32/541340532.db2.gz JVZUAVKDYJDGJR-UHFFFAOYSA-N 0 0 228.251 2.817 50 0 BFAARN c1nc2c3c4c(sc3ncn2n1)CCCCC4 ZINC000002229042 364670759 /nfs/dbraw/zinc/67/07/59/364670759.db2.gz MRIHMAIZMQMERJ-UHFFFAOYSA-N 0 0 244.323 2.608 50 0 BFAARN C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccncc1 ZINC000027404764 541499407 /nfs/dbraw/zinc/49/94/07/541499407.db2.gz CYVWBWVMEAOWFF-YPMHNXCESA-N 0 0 230.311 2.615 50 0 BFAARN Cc1ccc2c(c1)S[C@@H](C(=O)N1CCCC1)C2 ZINC000032876655 541502064 /nfs/dbraw/zinc/50/20/64/541502064.db2.gz OEGWJBPHCJBZQR-CYBMUJFWSA-N 0 0 247.363 2.634 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)NC1(c2ccccc2)CCC1 ZINC000032841207 541502521 /nfs/dbraw/zinc/50/25/21/541502521.db2.gz NWKRUTIFHKDZNJ-AAEUAGOBSA-N 0 0 229.323 2.838 50 0 BFAARN Cc1ccc(NN=Cc2ccncc2)cc1 ZINC000012473372 367915517 /nfs/dbraw/zinc/91/55/17/367915517.db2.gz PNZVHYSPRQAWGE-UHFFFAOYSA-N 0 0 211.268 2.836 50 0 BFAARN COCCC1(CCOC)SCCCS1 ZINC000004530161 368369325 /nfs/dbraw/zinc/36/93/25/368369325.db2.gz HGEASEGNAURSRA-UHFFFAOYSA-N 0 0 236.402 2.626 50 0 BFAARN C[C@@H]1C[C@H](C)[C@@H](C(=O)c2ccccc2)[C@@H](O)C1 ZINC000019878238 368371784 /nfs/dbraw/zinc/37/17/84/368371784.db2.gz BTIYLNMXNFVODF-UVLXDEKHSA-N 0 0 232.323 2.912 50 0 BFAARN C[NH+](Cc1ccc(O)cc1)Cc1ccc(O)cc1 ZINC000165782347 368396510 /nfs/dbraw/zinc/39/65/10/368396510.db2.gz BALLEJBYHPFDIN-UHFFFAOYSA-N 0 0 243.306 2.730 50 0 BFAARN CCNC(=O)[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000195800476 368397080 /nfs/dbraw/zinc/39/70/80/368397080.db2.gz VUNOFAIHSALQQH-SDDRHHMPSA-N 0 0 211.349 2.831 50 0 endogenous,in-man BFAARN Cc1[nH]nc(C(F)(F)F)c1-c1cccnc1 ZINC000220453160 368397759 /nfs/dbraw/zinc/39/77/59/368397759.db2.gz CMWHJDWVCDBHSY-UHFFFAOYSA-N 0 0 227.189 2.799 50 0 BFAARN NC1=CC=CN2C=CC=C[C@H]2c2ccccc21 ZINC000114002430 368387250 /nfs/dbraw/zinc/38/72/50/368387250.db2.gz ORLYMAFFKQODAU-HNNXBMFYSA-N 0 0 222.291 2.940 50 0 BFAARN C[S@](=O)/C=C\c1ccc(Cl)cc1 ZINC000203634412 368399901 /nfs/dbraw/zinc/39/99/01/368399901.db2.gz KWIIEDMAHNVLDQ-DGMVEKRQSA-N 0 0 200.690 2.689 50 0 BFAARN Cc1cc(C)n([C@H](C)c2nc(C(C)(C)C)no2)n1 ZINC000065461517 368621700 /nfs/dbraw/zinc/62/17/00/368621700.db2.gz VZBXNZGNVYVFSK-SNVBAGLBSA-N 0 0 248.330 2.790 50 0 BFAARN C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCCS1 ZINC000073320319 368799787 /nfs/dbraw/zinc/79/97/87/368799787.db2.gz KUICHCGNVMQXBC-OUAUKWLOSA-N 0 0 227.373 2.672 50 0 BFAARN Cc1cnccc1C(=O)N1CCC2(CCCC2)C1 ZINC000584899542 369046894 /nfs/dbraw/zinc/04/68/94/369046894.db2.gz WUUMOIAJZRTQMO-UHFFFAOYSA-N 0 0 244.338 2.796 50 0 BFAARN Clc1ccc(Br)c2ccnn21 ZINC000238582538 369027416 /nfs/dbraw/zinc/02/74/16/369027416.db2.gz RVWHECSLIOXXFN-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN CCCCCc1nnc(-c2csc(C)n2)[nH]1 ZINC000584887412 369035962 /nfs/dbraw/zinc/03/59/62/369035962.db2.gz DIWUXRWEQAOCOO-UHFFFAOYSA-N 0 0 236.344 2.969 50 0 BFAARN CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)OCC ZINC000107350297 369343066 /nfs/dbraw/zinc/34/30/66/369343066.db2.gz LWVSAJAAMVUGDI-XQQFMLRXSA-N 0 0 241.375 2.887 50 0 BFAARN CCCC(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000000586920 369448456 /nfs/dbraw/zinc/44/84/56/369448456.db2.gz POUHCENEBHMLCO-UHFFFAOYSA-N 0 0 231.251 2.532 50 0 BFAARN CC(=O)OC[C@@]12CC=C(C)[C@@H]([C@@H](C)OC1)[C@H]2C ZINC000012878457 370977530 /nfs/dbraw/zinc/97/75/30/370977530.db2.gz KSCMOJQRHWGLDT-HBJVGIJOSA-N 0 0 238.327 2.557 50 0 biogenic BFAARN CC[C@@H](C)NC(=O)c1c(C)oc(C)c1C ZINC000012947765 370989550 /nfs/dbraw/zinc/98/95/50/370989550.db2.gz HRVDPCVFEWKKPC-SSDOTTSWSA-N 0 0 209.289 2.733 50 0 BFAARN O=C(NCC1CC1)c1cc(O)c2ccccc2c1 ZINC000225401027 370546368 /nfs/dbraw/zinc/54/63/68/370546368.db2.gz TVTZHYZEFLHARB-UHFFFAOYSA-N 0 0 241.290 2.685 50 0 BFAARN CCOC(=O)c1nc(-c2cccnc2)sc1C ZINC000078073522 370528558 /nfs/dbraw/zinc/52/85/58/370528558.db2.gz CQUZEOOIJJPUJG-UHFFFAOYSA-N 0 0 248.307 2.690 50 0 BFAARN O=C(OC1(C2CC2)CC1)c1ccc(Cl)cn1 ZINC000079052311 371177932 /nfs/dbraw/zinc/17/79/32/371177932.db2.gz RHAGGCCEPFHYIG-UHFFFAOYSA-N 0 0 237.686 2.834 50 0 BFAARN Oc1cccn2cc(-c3ccc(F)cc3)nc12 ZINC000020031964 371219399 /nfs/dbraw/zinc/21/93/99/371219399.db2.gz LLTNSDAYRMFNIA-UHFFFAOYSA-N 0 0 228.226 2.846 50 0 BFAARN O=C(c1cc2cccc(F)c2o1)N1CCCC1 ZINC000095401777 371279774 /nfs/dbraw/zinc/27/97/74/371279774.db2.gz WQQQYVPVOHOTAW-UHFFFAOYSA-N 0 0 233.242 2.808 50 0 BFAARN N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000019433021 181629338 /nfs/dbraw/zinc/62/93/38/181629338.db2.gz ZGFGADXCVWZZHD-SSDOTTSWSA-N 0 0 209.598 2.902 50 0 BFAARN C[C@H](O)c1cc(Br)cnc1Cl ZINC000095836967 371355552 /nfs/dbraw/zinc/35/55/52/371355552.db2.gz GTTWHKVMEWGTPC-BYPYZUCNSA-N 0 0 236.496 2.551 50 0 BFAARN Nc1c[nH]c2ccc(Br)cc12 ZINC000021982374 181673660 /nfs/dbraw/zinc/67/36/60/181673660.db2.gz SONHFBNXEWKXMN-UHFFFAOYSA-N 0 0 211.062 2.513 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc2ccccc2n1 ZINC000095955597 371361545 /nfs/dbraw/zinc/36/15/45/371361545.db2.gz CHEMJPMPBZQVFY-KOLCDFICSA-N 0 0 226.279 2.829 50 0 BFAARN Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000004298857 181693497 /nfs/dbraw/zinc/69/34/97/181693497.db2.gz RWUGRGDUCVDTDI-UHFFFAOYSA-N 0 0 223.659 2.675 50 0 BFAARN CC(C)CCn1ccc(N[C@H]2CCO[C@H]2C)n1 ZINC000095991637 371372206 /nfs/dbraw/zinc/37/22/06/371372206.db2.gz UAOVYWCJAKFTIN-RYUDHWBXSA-N 0 0 237.347 2.519 50 0 BFAARN Nc1ccc(F)cc1CN1CCc2ccccc21 ZINC000035057882 181711902 /nfs/dbraw/zinc/71/19/02/181711902.db2.gz UUODCACWEWZRKE-UHFFFAOYSA-N 0 0 242.297 2.971 50 0 BFAARN Nc1cccc(C(=O)NCCC2=CCCCC2)c1 ZINC000019736658 181741103 /nfs/dbraw/zinc/74/11/03/181741103.db2.gz WGSOBBFZVAUDRZ-UHFFFAOYSA-N 0 0 244.338 2.889 50 0 BFAARN Nc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000000361676 181745663 /nfs/dbraw/zinc/74/56/63/181745663.db2.gz PLZFORZODOSNBW-UHFFFAOYSA-N 0 0 230.242 2.660 50 0 BFAARN Nc1ccccc1COCc1ccccc1 ZINC000019272038 181754354 /nfs/dbraw/zinc/75/43/54/181754354.db2.gz FEZQBNAKAKTQFJ-UHFFFAOYSA-N 0 0 213.280 2.986 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@H]2c2ccco2)no1 ZINC000021791224 371495371 /nfs/dbraw/zinc/49/53/71/371495371.db2.gz RIXNKGQZFUPLLV-NSHDSACASA-N 0 0 246.266 2.553 50 0 BFAARN C/C=C/C=C/C(=O)Nc1ccccc1F ZINC000002649027 371621187 /nfs/dbraw/zinc/62/11/87/371621187.db2.gz HJPNEFCCPAZFNS-DSXPNFDZSA-N 0 0 205.232 2.897 50 0 BFAARN Cc1occc1C(=O)N1CCCCCC1 ZINC000002741944 371646753 /nfs/dbraw/zinc/64/67/53/371646753.db2.gz LDIKRDYIIPLSHV-UHFFFAOYSA-N 0 0 207.273 2.604 50 0 BFAARN CONC(=O)/C=C(\C)C12CC3CC(CC(C3)C1)C2 ZINC000056696989 371686893 /nfs/dbraw/zinc/68/68/93/371686893.db2.gz GKLQITDDQPGRGE-XCVCLJGOSA-N 0 0 249.354 2.827 50 0 BFAARN Nc1nonc1-c1ccc(Cl)cc1Cl ZINC000020387508 181815948 /nfs/dbraw/zinc/81/59/48/181815948.db2.gz MHIURJHEDPOTPC-UHFFFAOYSA-N 0 0 230.054 2.626 50 0 BFAARN Nc1snnc1-c1ccc(C(F)(F)F)cc1 ZINC000000161940 181820993 /nfs/dbraw/zinc/82/09/93/181820993.db2.gz URPRRYYGDXSCNR-UHFFFAOYSA-N 0 0 245.229 2.806 50 0 BFAARN CSCC[C@H]1COC(c2cccs2)=N1 ZINC000003029915 371847476 /nfs/dbraw/zinc/84/74/76/371847476.db2.gz IUPOLBLFQIIYSH-QMMMGPOBSA-N 0 0 227.354 2.647 50 0 BFAARN CSCC[C@@H]1COC(c2cccs2)=N1 ZINC000003029916 371847982 /nfs/dbraw/zinc/84/79/82/371847982.db2.gz IUPOLBLFQIIYSH-MRVPVSSYSA-N 0 0 227.354 2.647 50 0 BFAARN Cc1ccc(NC(=O)c2ccccn2)cc1C ZINC000003065513 371862871 /nfs/dbraw/zinc/86/28/71/371862871.db2.gz KWFPEMXPHAQTEF-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1oc(-c2cccc(C)c2)[n+]([O-])c1C ZINC000003018346 371842705 /nfs/dbraw/zinc/84/27/05/371842705.db2.gz GTMAGMDLEXEBOF-UHFFFAOYSA-N 0 0 203.241 2.505 50 0 BFAARN Cc1cc(=O)cc(C)n1-c1ccc(F)cc1F ZINC000003180208 371902618 /nfs/dbraw/zinc/90/26/18/371902618.db2.gz UVEOQBGKTXDWLL-UHFFFAOYSA-N 0 0 235.233 2.733 50 0 BFAARN O=c1c2ccccc2sn1-c1nccs1 ZINC000003206019 371914942 /nfs/dbraw/zinc/91/49/42/371914942.db2.gz VNXHYDLIKDKGJP-UHFFFAOYSA-N 0 0 234.305 2.509 50 0 BFAARN CCn1nc(C)cc1Nc1ccccc1 ZINC000003239311 371925569 /nfs/dbraw/zinc/92/55/69/371925569.db2.gz ISVTTYVLUMDYNG-UHFFFAOYSA-N 0 0 201.273 2.955 50 0 aggregator BFAARN C[C@@H](O)c1cn(-c2ccc(C(C)(C)C)cc2)nn1 ZINC000163364158 371982986 /nfs/dbraw/zinc/98/29/86/371982986.db2.gz AEFIJKCFONOOJZ-SNVBAGLBSA-N 0 0 245.326 2.618 50 0 BFAARN O=C(/C=C/c1ccsc1)Nc1nccs1 ZINC000009609497 181847037 /nfs/dbraw/zinc/84/70/37/181847037.db2.gz SQCHANYDUXJQMM-OWOJBTEDSA-N 0 0 236.321 2.857 50 0 BFAARN CCCn1nccc1NC(=O)c1cccs1 ZINC000031770555 372106580 /nfs/dbraw/zinc/10/65/80/372106580.db2.gz DXTXNCBYNJVBPE-UHFFFAOYSA-N 0 0 235.312 2.607 50 0 BFAARN CC(C)[C@@H]1OC[C@H]2Cc3ccccc3[C@@H]2O1 ZINC000004005767 372114011 /nfs/dbraw/zinc/11/40/11/372114011.db2.gz NOBNLHDWQDMAEA-MRVWCRGKSA-N 0 0 218.296 2.929 50 0 biogenic BFAARN O=C(C1CC=CC1)N1CCc2ccccc2C1 ZINC000077732983 181864452 /nfs/dbraw/zinc/86/44/52/181864452.db2.gz QHGVZWRUKLNWAL-UHFFFAOYSA-N 0 0 227.307 2.538 50 0 BFAARN C[C@@H]1[C@H]2CCC[C@H](C2=O)[C@@]2(O)CCCC[C@H]12 ZINC000004026441 372121073 /nfs/dbraw/zinc/12/10/73/372121073.db2.gz HZMOLOUVPKADBE-CBLPJQPBSA-N 0 0 222.328 2.543 50 0 biogenic BFAARN C/C=C\C(=O)NCCc1ccc(OC(C)C)cc1 ZINC000606442504 372103457 /nfs/dbraw/zinc/10/34/57/372103457.db2.gz MLRODTPZFHWUDA-PLNGDYQASA-N 0 0 247.338 2.709 50 0 BFAARN O=C(C1CCCC1)N1CCCCCCC1 ZINC000006730708 181869239 /nfs/dbraw/zinc/86/92/39/181869239.db2.gz GBTYVOYMDZDVSC-UHFFFAOYSA-N 0 0 209.333 2.969 50 0 BFAARN Clc1ccc(Nc2ncnc3nc[nH]c32)cc1 ZINC000004106424 372142553 /nfs/dbraw/zinc/14/25/53/372142553.db2.gz SBPCFRGLUFVLAC-UHFFFAOYSA-N 0 0 245.673 2.750 50 0 BFAARN CSc1ncc(N=NCc2ccccc2)cn1 ZINC000004186658 372160994 /nfs/dbraw/zinc/16/09/94/372160994.db2.gz LLRBKSZURLDLAP-UHFFFAOYSA-N 0 0 244.323 2.645 50 0 BFAARN O=C(C1CCC1)N1CC[C@@H](c2ccccc2)C1 ZINC000038566850 181867273 /nfs/dbraw/zinc/86/72/73/181867273.db2.gz NSOIUWZLJRXMQU-CQSZACIVSA-N 0 0 229.323 2.803 50 0 BFAARN NN=c1nc(-c2ccccc2)c2ccccc2[nH]1 ZINC000004071046 372128030 /nfs/dbraw/zinc/12/80/30/372128030.db2.gz AJXCZPNRCFUDOC-UHFFFAOYSA-N 0 0 236.278 2.582 50 0 BFAARN O=C(CCc1ccccc1)NCc1ccccc1 ZINC000000143181 181930366 /nfs/dbraw/zinc/93/03/66/181930366.db2.gz FEOUTXCSJHUHLP-UHFFFAOYSA-N 0 0 239.318 2.936 50 0 BFAARN Cc1ccc(NC(=O)c2ccccn2)c(F)c1 ZINC000008406673 372701668 /nfs/dbraw/zinc/70/16/68/372701668.db2.gz ZEISXHFUTXGXAJ-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN O=C(CCn1cccc1)Nc1ccc(Cl)cn1 ZINC000021016385 181948999 /nfs/dbraw/zinc/94/89/99/181948999.db2.gz AGAWUQDXYQYLTB-UHFFFAOYSA-N 0 0 249.701 2.565 50 0 BFAARN CCCc1c(C)[nH]c2ccccc2c1=O ZINC000008579504 372773774 /nfs/dbraw/zinc/77/37/74/372773774.db2.gz QQVOUEGGEOFBOX-UHFFFAOYSA-N 0 0 201.269 2.789 50 0 BFAARN Cc1cc(C(=O)NCc2cccnc2)c(C)s1 ZINC000008725748 372863627 /nfs/dbraw/zinc/86/36/27/372863627.db2.gz PSCAZPJNDHZHDC-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN O=C(COc1ccc(F)cc1F)c1ccc[nH]1 ZINC000032878694 182001725 /nfs/dbraw/zinc/00/17/25/182001725.db2.gz VMSSNVIJSIILAN-UHFFFAOYSA-N 0 0 237.205 2.555 50 0 BFAARN O=C(CSCc1ccco1)NC1CCCC1 ZINC000003258614 182009132 /nfs/dbraw/zinc/00/91/32/182009132.db2.gz DINUMOCYIBYDSI-UHFFFAOYSA-N 0 0 239.340 2.572 50 0 BFAARN O=C(C[C@@H]1C=CCC1)NCCc1ccccc1 ZINC000039978428 182013829 /nfs/dbraw/zinc/01/38/29/182013829.db2.gz UILYKNRQLDDCAP-CQSZACIVSA-N 0 0 229.323 2.702 50 0 BFAARN O=C(C[C@H]1C=CCC1)NCc1cccs1 ZINC000032739221 182025040 /nfs/dbraw/zinc/02/50/40/182025040.db2.gz DNFTXZLHSJRXPJ-JTQLQIEISA-N 0 0 221.325 2.721 50 0 BFAARN O=C(C[C@H]1OC(=O)c2ccccc21)c1ccco1 ZINC000002445007 182031900 /nfs/dbraw/zinc/03/19/00/182031900.db2.gz QSZOMNJRXBXAMM-CYBMUJFWSA-N 0 0 242.230 2.764 50 0 BFAARN O=C(Cc1c[nH]c2ccccc12)NC1CCCC1 ZINC000000299221 182033224 /nfs/dbraw/zinc/03/32/24/182033224.db2.gz ZPJBOIPNDKXSIU-UHFFFAOYSA-N 0 0 242.322 2.769 50 0 BFAARN O=C(C[C@H]1C=CCC1)Nc1nnc(C2CC2)s1 ZINC000022738561 182026372 /nfs/dbraw/zinc/02/63/72/182026372.db2.gz ICXQXGYIUSTEOG-QMMMGPOBSA-N 0 0 249.339 2.710 50 0 BFAARN O=C(Cc1ccc(F)cc1)Nc1ccccc1O ZINC000009478198 182036764 /nfs/dbraw/zinc/03/67/64/182036764.db2.gz ZHAZKYLQQQOSJZ-UHFFFAOYSA-N 0 0 245.253 2.713 50 0 BFAARN O=C(Cc1ccc(O)cc1)Nc1ccccc1 ZINC000012648947 182038518 /nfs/dbraw/zinc/03/85/18/182038518.db2.gz BUNREJDOLFXPMF-UHFFFAOYSA-N 0 0 227.263 2.573 50 0 BFAARN O=C(Cc1cccc(F)c1)NCc1cccs1 ZINC000007724393 182040831 /nfs/dbraw/zinc/04/08/31/182040831.db2.gz XCBIIZYDMXEEBF-UHFFFAOYSA-N 0 0 249.310 2.746 50 0 BFAARN O=C(Cc1ccc2ccccc2c1)NC1CC1 ZINC000000471641 182038941 /nfs/dbraw/zinc/03/89/41/182038941.db2.gz XWOMXRUMBVADGM-UHFFFAOYSA-N 0 0 225.291 2.661 50 0 BFAARN O=C(Cc1nc2ccccc2o1)c1cccnc1 ZINC000003260217 182061732 /nfs/dbraw/zinc/06/17/32/182061732.db2.gz ZWYNWMUZZVKELG-UHFFFAOYSA-N 0 0 238.246 2.648 50 0 BFAARN O=C(Cc1ccncc1)c1ccc(F)cc1 ZINC000023529022 182055737 /nfs/dbraw/zinc/05/57/37/182055737.db2.gz BYPVQCWVMWIUDB-UHFFFAOYSA-N 0 0 215.227 2.646 50 0 BFAARN COC(=O)CNc1ccc(-c2ccccc2)cc1 ZINC000040005343 373086777 /nfs/dbraw/zinc/08/67/77/373086777.db2.gz BQFAJKSBQPCVRP-UHFFFAOYSA-N 0 0 241.290 2.939 50 0 BFAARN CC(C)c1noc(CSc2ccccn2)n1 ZINC000040049437 373096206 /nfs/dbraw/zinc/09/62/06/373096206.db2.gz FJHARZDNFYERPF-UHFFFAOYSA-N 0 0 235.312 2.880 50 0 BFAARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccco1 ZINC000000568968 182093675 /nfs/dbraw/zinc/09/36/75/182093675.db2.gz JPEMSSFGEBKPPC-UHFFFAOYSA-N 0 0 245.322 2.834 50 0 BFAARN CCN(C(=O)[C@H]1C[C@H]1C)c1ccccc1 ZINC000040461137 373281574 /nfs/dbraw/zinc/28/15/74/373281574.db2.gz PRCBUJIYNLCWPF-PWSUYJOCSA-N 0 0 203.285 2.696 50 0 BFAARN O=C(NC1CCCC1)c1ccn(C2CCCC2)n1 ZINC000028223000 182111209 /nfs/dbraw/zinc/11/12/09/182111209.db2.gz SUSWXLGWJYVEHC-UHFFFAOYSA-N 0 0 247.342 2.671 50 0 BFAARN CC(C)CCC(=O)NCCc1ccsc1 ZINC000040509549 373375866 /nfs/dbraw/zinc/37/58/66/373375866.db2.gz BHLVHPZCPORLSJ-UHFFFAOYSA-N 0 0 225.357 2.843 50 0 BFAARN O=C(NC1CCCCC1)c1ccc(Cl)nc1 ZINC000000413104 182112540 /nfs/dbraw/zinc/11/25/40/182112540.db2.gz UYFINTSPYHNTIK-UHFFFAOYSA-N 0 0 238.718 2.798 50 0 BFAARN O=C(NC1CCCCC1)[C@@H]1CC=CCC1 ZINC000040473676 182113074 /nfs/dbraw/zinc/11/30/74/182113074.db2.gz FHZIHNKVMRCBRJ-LLVKDONJSA-N 0 0 207.317 2.792 50 0 BFAARN O=C(NC1CCCCC1)c1cc2ccncc2[nH]1 ZINC000075483481 182113132 /nfs/dbraw/zinc/11/31/32/182113132.db2.gz DLSAWCUDJVSJEI-UHFFFAOYSA-N 0 0 243.310 2.625 50 0 BFAARN O=C(NC1CCCC1)N1CCc2ccccc21 ZINC000013328236 182108809 /nfs/dbraw/zinc/10/88/09/182108809.db2.gz LQXCQFOPMWMXPR-UHFFFAOYSA-N 0 0 230.311 2.701 50 0 BFAARN O=C(NC1CCCC1)c1ccc2ccccc2n1 ZINC000000315079 182110827 /nfs/dbraw/zinc/11/08/27/182110827.db2.gz WDGOALQBMNGQGR-UHFFFAOYSA-N 0 0 240.306 2.907 50 0 BFAARN O=C(NC=C(Cl)Cl)c1ccccc1 ZINC000002674915 182121054 /nfs/dbraw/zinc/12/10/54/182121054.db2.gz KPHFIGBUDFKPJW-UHFFFAOYSA-N 0 0 216.067 2.693 50 0 BFAARN O=C(NC=C(Cl)Cl)c1ccc(F)cc1 ZINC000005672788 182121152 /nfs/dbraw/zinc/12/11/52/182121152.db2.gz VAVBPANCUOAKPS-UHFFFAOYSA-N 0 0 234.057 2.832 50 0 BFAARN Cc1nn(C2CCCCC2)c(C)c1C=O ZINC000040538501 373460396 /nfs/dbraw/zinc/46/03/96/373460396.db2.gz RSBWLIGFLPIJRQ-UHFFFAOYSA-N 0 0 206.289 2.818 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(OC)c(F)c1 ZINC000040542268 373469724 /nfs/dbraw/zinc/46/97/24/373469724.db2.gz SEKSKQFAATYFTI-MRVPVSSYSA-N 0 0 225.263 2.819 50 0 BFAARN O=C(NCC1CC1)Nc1ccc2c(c1)CCC2 ZINC000040103352 182138063 /nfs/dbraw/zinc/13/80/63/182138063.db2.gz ZCQILRJHEFFHMN-UHFFFAOYSA-N 0 0 230.311 2.707 50 0 BFAARN O=C(NCC1CC1)c1ccccc1C(F)(F)F ZINC000040493554 182141986 /nfs/dbraw/zinc/14/19/86/182141986.db2.gz SIPCUBAWQLAMRX-UHFFFAOYSA-N 0 0 243.228 2.845 50 0 BFAARN O=C(NCC1CC1)c1ccc(Cl)cc1F ZINC000032909829 182142528 /nfs/dbraw/zinc/14/25/28/182142528.db2.gz HOFUIZKEPAKIDL-UHFFFAOYSA-N 0 0 227.666 2.619 50 0 BFAARN CCCCNC(=O)N(C)c1ccccc1 ZINC000002166577 168848978 /nfs/dbraw/zinc/84/89/78/168848978.db2.gz SKJLCJVEUHEWAW-UHFFFAOYSA-N 0 0 206.289 2.633 50 0 BFAARN O=C(NCCSc1ccccc1)c1ccco1 ZINC000004454578 182198018 /nfs/dbraw/zinc/19/80/18/182198018.db2.gz USCINGPOUFYHLD-UHFFFAOYSA-N 0 0 247.319 2.802 50 0 BFAARN CCCCNC(=O)Nc1ccc(N(C)C)cc1 ZINC000001640215 168854097 /nfs/dbraw/zinc/85/40/97/168854097.db2.gz ZSSKYRGOULPQFE-UHFFFAOYSA-N 0 0 235.331 2.674 50 0 BFAARN CCCCNC(=O)Nc1ccccc1C ZINC000002171726 168854159 /nfs/dbraw/zinc/85/41/59/168854159.db2.gz VRBUDEKTYGQXMU-UHFFFAOYSA-N 0 0 206.289 2.917 50 0 BFAARN O=C(NCCc1ccco1)c1ccccc1Cl ZINC000013012577 182207071 /nfs/dbraw/zinc/20/70/71/182207071.db2.gz BCMHRBBHMDCNDS-UHFFFAOYSA-N 0 0 249.697 2.906 50 0 BFAARN CCCc1cc(=O)n(-c2ccc(C)c(C)c2)[nH]1 ZINC000009477229 374138295 /nfs/dbraw/zinc/13/82/95/374138295.db2.gz VDAMTDUWIQSMCZ-UHFFFAOYSA-N 0 0 230.311 2.735 50 0 BFAARN CN(C)c1ccnc2ccc(Cl)cc21 ZINC000041479100 374142272 /nfs/dbraw/zinc/14/22/72/374142272.db2.gz VEBMQJNPTBFASR-UHFFFAOYSA-N 0 0 206.676 2.954 50 0 BFAARN O=C(NCc1cccc(O)c1)Nc1ccccc1 ZINC000038032331 182254154 /nfs/dbraw/zinc/25/41/54/182254154.db2.gz ZFOAFLVTFFNZKZ-UHFFFAOYSA-N 0 0 242.278 2.714 50 0 BFAARN O=C(NCc1cc2ccccc2o1)c1ccoc1 ZINC000057512145 182249354 /nfs/dbraw/zinc/24/93/54/182249354.db2.gz HPXDENHKPXERML-UHFFFAOYSA-N 0 0 241.246 2.956 50 0 BFAARN O=C(NCc1ccco1)[C@H]1C[C@H]1c1ccccc1 ZINC000002747347 182263075 /nfs/dbraw/zinc/26/30/75/182263075.db2.gz YMFYOUIQBHWTQR-KBPBESRZSA-N 0 0 241.290 2.700 50 0 BFAARN O=C(NCc1cccs1)C1CCCC1 ZINC000006334843 182263201 /nfs/dbraw/zinc/26/32/01/182263201.db2.gz LLLAINVWBBLUSS-UHFFFAOYSA-N 0 0 209.314 2.555 50 0 BFAARN O=C(NCc1ccco1)c1cc2ccccc2[nH]1 ZINC000007910634 182263554 /nfs/dbraw/zinc/26/35/54/182263554.db2.gz NYJUJGCZPDOYJC-UHFFFAOYSA-N 0 0 240.262 2.691 50 0 BFAARN O=C(NCc1ccco1)c1ccc(Cl)cc1 ZINC000000121361 182262561 /nfs/dbraw/zinc/26/25/61/182262561.db2.gz SKMGYVCLHQFMCA-UHFFFAOYSA-N 0 0 235.670 2.863 50 0 BFAARN Cc1cccc(NC2=NC(=O)C[C@H](C)S2)c1 ZINC000071784245 374291353 /nfs/dbraw/zinc/29/13/53/374291353.db2.gz DGKATKYBAUJTRV-VIFPVBQESA-N 0 0 234.324 2.815 50 0 BFAARN CCc1ccc(CCC(=O)NCC(C)C)cc1 ZINC000010372075 374292766 /nfs/dbraw/zinc/29/27/66/374292766.db2.gz DSQOCRKRFWFMKP-UHFFFAOYSA-N 0 0 233.355 2.954 50 0 BFAARN CC(C)Cc1noc(CN2CCCCCC2)n1 ZINC000042665377 374281557 /nfs/dbraw/zinc/28/15/57/374281557.db2.gz IIDRPHRSKXIYMW-UHFFFAOYSA-N 0 0 237.347 2.644 50 0 BFAARN O=C(N[C@@H]1CCCCC12CCCC2)c1ccn[nH]1 ZINC000253429315 182292556 /nfs/dbraw/zinc/29/25/56/182292556.db2.gz RHHYDKYTVMWEBI-GFCCVEGCSA-N 0 0 247.342 2.643 50 0 BFAARN O=C(N[C@@H]1CCc2ccccc21)c1ccco1 ZINC000044891855 182312272 /nfs/dbraw/zinc/31/22/72/182312272.db2.gz WQEPWIROHARGRB-GFCCVEGCSA-N 0 0 227.263 2.697 50 0 BFAARN O=C(N[C@H]1CCOc2ccccc21)c1ccco1 ZINC000007214632 182338231 /nfs/dbraw/zinc/33/82/31/182338231.db2.gz UFHZMADLIUQJHE-NSHDSACASA-N 0 0 243.262 2.533 50 0 BFAARN O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1ncccc1F ZINC000077541167 182340243 /nfs/dbraw/zinc/34/02/43/182340243.db2.gz QIBRKRBWMVHZIQ-NHCYSSNCSA-N 0 0 248.301 2.529 50 0 BFAARN O=C(Nc1ccc(-c2csnn2)cc1)C1CC1 ZINC000000106321 182350739 /nfs/dbraw/zinc/35/07/39/182350739.db2.gz GEBZKAGTZLMKSR-UHFFFAOYSA-N 0 0 245.307 2.554 50 0 BFAARN O=C(Nc1ccc(-c2cc[nH]n2)cc1)C1CCC1 ZINC000029278445 182351530 /nfs/dbraw/zinc/35/15/30/182351530.db2.gz FLKWYJADPUTIOS-UHFFFAOYSA-N 0 0 241.294 2.815 50 0 BFAARN O=C(Nc1ccc(Cl)cc1F)C1CC1 ZINC000000476904 182354102 /nfs/dbraw/zinc/35/41/02/182354102.db2.gz BSOPYFCGDIYMRL-UHFFFAOYSA-N 0 0 213.639 2.828 50 0 BFAARN O=C(Nc1ccc(F)c(F)c1)c1cccnc1 ZINC000000183309 182355249 /nfs/dbraw/zinc/35/52/49/182355249.db2.gz UHQUVLUBUXSBBY-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1ccc(F)c(F)c1F)c1ccco1 ZINC000002647619 182355318 /nfs/dbraw/zinc/35/53/18/182355318.db2.gz PZUVZXARZGIWOD-UHFFFAOYSA-N 0 0 241.168 2.949 50 0 BFAARN O=C(Nc1ccc(F)cc1F)c1cccnc1 ZINC000000029654 182356601 /nfs/dbraw/zinc/35/66/01/182356601.db2.gz NOCNRSXZPFJMMC-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1cc(-c2cccs2)no1)C1CC1 ZINC000065152918 182346372 /nfs/dbraw/zinc/34/63/72/182346372.db2.gz DMDXONUNNCSKAK-UHFFFAOYSA-N 0 0 234.280 2.752 50 0 BFAARN O=C(Nc1cc(Cl)ccc1O)c1cccnc1 ZINC000019881437 182347997 /nfs/dbraw/zinc/34/79/97/182347997.db2.gz CYQDNSVCAKXZHY-UHFFFAOYSA-N 0 0 248.669 2.693 50 0 BFAARN O=C(Nc1cc(Cl)ccc1O)c1ccco1 ZINC000000098429 182348076 /nfs/dbraw/zinc/34/80/76/182348076.db2.gz HKJDMLBNEXKOJI-UHFFFAOYSA-N 0 0 237.642 2.891 50 0 BFAARN O=C(Nc1ccon1)Nc1cccc(Cl)c1 ZINC000015934325 182368558 /nfs/dbraw/zinc/36/85/58/182368558.db2.gz DICPEBIRKHIIBT-UHFFFAOYSA-N 0 0 237.646 2.972 50 0 BFAARN O=C(Nc1cccc(Cl)c1)c1cccnc1 ZINC000000029652 182368642 /nfs/dbraw/zinc/36/86/42/182368642.db2.gz XQPPPWLPXGVYAJ-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1ccc2ccccc2c1)[C@H]1CCCO1 ZINC000006342709 182365238 /nfs/dbraw/zinc/36/52/38/182365238.db2.gz ZPBFVHQLSQEBGQ-CQSZACIVSA-N 0 0 241.290 2.957 50 0 BFAARN O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCO1 ZINC000006342707 182365398 /nfs/dbraw/zinc/36/53/98/182365398.db2.gz ZPBFVHQLSQEBGQ-AWEZNQCLSA-N 0 0 241.290 2.957 50 0 BFAARN O=C(Nc1ccccc1)[C@H]1Cc2ccccc2O1 ZINC000007069623 182376965 /nfs/dbraw/zinc/37/69/65/182376965.db2.gz AMWXSLADMUBBGW-CQSZACIVSA-N 0 0 239.274 2.629 50 0 BFAARN O=C(Nc1ccccc1)[C@@H]1Cc2ccccc2O1 ZINC000007069621 182377324 /nfs/dbraw/zinc/37/73/24/182377324.db2.gz AMWXSLADMUBBGW-AWEZNQCLSA-N 0 0 239.274 2.629 50 0 BFAARN O=C(Nc1ccccc1)c1ccc2[nH]cnc2c1 ZINC000009605202 182377637 /nfs/dbraw/zinc/37/76/37/182377637.db2.gz LACCOHYAMALPOO-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 BFAARN O=C(Nc1ccccc1)c1n[nH]c2ccccc21 ZINC000008205769 182377662 /nfs/dbraw/zinc/37/76/62/182377662.db2.gz XQJXNILPLUCHQG-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 BFAARN O=C(Nc1ccccc1)c1cccnc1Cl ZINC000000908782 182378388 /nfs/dbraw/zinc/37/83/88/182378388.db2.gz MPNXSZJPSVBLHP-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1cccc(F)c1)c1cc(C2CC2)[nH]n1 ZINC000036392327 182369470 /nfs/dbraw/zinc/36/94/70/182369470.db2.gz RETLFPVRSIIGAA-UHFFFAOYSA-N 0 0 245.257 2.679 50 0 BFAARN O=C(Nc1cccc2c[nH]nc21)[C@@H]1CC=CCC1 ZINC000025713072 182372849 /nfs/dbraw/zinc/37/28/49/182372849.db2.gz UWFYEHSTWVABHR-SNVBAGLBSA-N 0 0 241.294 2.858 50 0 BFAARN O=C(Nc1cccc2ncccc21)C1CC1 ZINC000012346122 182374267 /nfs/dbraw/zinc/37/42/67/182374267.db2.gz ZLEBEXFMYSCVIW-UHFFFAOYSA-N 0 0 212.252 2.583 50 0 BFAARN O=C(Nc1ccsc1)N1CCC=C(F)C1 ZINC000274554804 182390005 /nfs/dbraw/zinc/39/00/05/182390005.db2.gz ARYHRGWXCPCLSD-UHFFFAOYSA-N 0 0 226.276 2.839 50 0 BFAARN O=C(Nc1cnc2ccccc2c1)C1CC1 ZINC000005590244 182392740 /nfs/dbraw/zinc/39/27/40/182392740.db2.gz LXOVJRMGPSCTSB-UHFFFAOYSA-N 0 0 212.252 2.583 50 0 BFAARN O=C(Nc1ccccc1O)[C@H]1CC=CCC1 ZINC000032855792 182380898 /nfs/dbraw/zinc/38/08/98/182380898.db2.gz OSTMTZXHRGKTJP-JTQLQIEISA-N 0 0 217.268 2.687 50 0 BFAARN O=C(Nc1ccccn1)[C@@H]1CCCC(F)(F)C1 ZINC000225724868 182381949 /nfs/dbraw/zinc/38/19/49/182381949.db2.gz KYWLPZRHGYROND-SECBINFHSA-N 0 0 240.253 2.846 50 0 BFAARN O=C(Nc1cccnc1)C1(c2ccccc2)CC1 ZINC000023239190 182382824 /nfs/dbraw/zinc/38/28/24/182382824.db2.gz AWLLWLGTZKUYOT-UHFFFAOYSA-N 0 0 238.290 2.752 50 0 BFAARN O=C(Nc1cccnc1)Nc1cccc(F)c1 ZINC000000398972 182383641 /nfs/dbraw/zinc/38/36/41/182383641.db2.gz WFOGJKJRUKGBDO-UHFFFAOYSA-N 0 0 231.230 2.865 50 0 BFAARN O=C(Nc1cccnc1Cl)C1CCCC1 ZINC000006330472 182385207 /nfs/dbraw/zinc/38/52/07/182385207.db2.gz WRPHMJOLTHMYSF-UHFFFAOYSA-N 0 0 224.691 2.864 50 0 BFAARN O=C(Nc1ccncc1)c1cc2c(s1)CCC2 ZINC000013284474 182386063 /nfs/dbraw/zinc/38/60/63/182386063.db2.gz XNIFZSKEOIBNNS-UHFFFAOYSA-N 0 0 244.319 2.884 50 0 BFAARN O=C(Nc1ccncc1)c1cccc2ncccc21 ZINC000014334426 182387245 /nfs/dbraw/zinc/38/72/45/182387245.db2.gz HQZUHWRDVTZVRK-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1ccon1)C12CC3CC(CC(C3)C1)C2 ZINC000013746923 182388791 /nfs/dbraw/zinc/38/87/91/182388791.db2.gz QIIZELKUBFEDHW-UHFFFAOYSA-N 0 0 246.310 2.830 50 0 BFAARN O=C(Nc1nc2ccccc2s1)N1CCCC1 ZINC000009959923 182398333 /nfs/dbraw/zinc/39/83/33/182398333.db2.gz GWDYLPVULLDVJR-UHFFFAOYSA-N 0 0 247.323 2.924 50 0 BFAARN O=C(Nc1nc2c(s1)CCCC2)C1CCC1 ZINC000006342573 182398472 /nfs/dbraw/zinc/39/84/72/182398472.db2.gz SSJHAILTDUNTIY-UHFFFAOYSA-N 0 0 236.340 2.761 50 0 BFAARN O=C(Nc1nccs1)C1CCCCC1 ZINC000000053953 182401211 /nfs/dbraw/zinc/40/12/11/182401211.db2.gz WCIOEEMSQHADHL-UHFFFAOYSA-N 0 0 210.302 2.662 50 0 BFAARN CCCCOC(=O)CCc1c(C)noc1C ZINC000001827962 168882734 /nfs/dbraw/zinc/88/27/34/168882734.db2.gz QUKPLZKIOZHFNB-UHFFFAOYSA-N 0 0 225.288 2.567 50 0 BFAARN O=C(OC1CCC1)c1ncccc1C(F)(F)F ZINC000095461526 182600255 /nfs/dbraw/zinc/60/02/55/182600255.db2.gz VBRMHEWKFHQUTO-UHFFFAOYSA-N 0 0 245.200 2.810 50 0 BFAARN O=C(OCCC1CC1)c1ccncc1Cl ZINC000073868448 182602653 /nfs/dbraw/zinc/60/26/53/182602653.db2.gz KOSHBNOFFFBIHI-UHFFFAOYSA-N 0 0 225.675 2.692 50 0 BFAARN O=C(Oc1ccccc1O)c1ccccc1 ZINC000000050858 182610633 /nfs/dbraw/zinc/61/06/33/182610633.db2.gz RJHSCCZVRVXSEF-UHFFFAOYSA-N 0 0 214.220 2.611 50 0 biogenic BFAARN O=C(c1ccc(Cl)s1)N1CCSCC1 ZINC000065515800 182658927 /nfs/dbraw/zinc/65/89/27/182658927.db2.gz QUAOGBYODZHJRR-UHFFFAOYSA-N 0 0 247.772 2.591 50 0 BFAARN O=C(c1cccnc1)c1c(F)cc(F)cc1F ZINC000036942199 182682559 /nfs/dbraw/zinc/68/25/59/182682559.db2.gz FNJYFDVUFQZUQW-UHFFFAOYSA-N 0 0 237.180 2.730 50 0 BFAARN O=C(c1cccnc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000032819486 182683062 /nfs/dbraw/zinc/68/30/62/182683062.db2.gz CGAJISHBFSDDEQ-OCCSQVGLSA-N 0 0 244.338 2.876 50 0 BFAARN O=C(c1ccco1)N(Cc1ccco1)C1CC1 ZINC000006670737 182683940 /nfs/dbraw/zinc/68/39/40/182683940.db2.gz ITBYFVACCYMGQJ-UHFFFAOYSA-N 0 0 231.251 2.677 50 0 BFAARN O=C1CC(c2cccc(Br)c2)C1 ZINC000039711905 182720485 /nfs/dbraw/zinc/72/04/85/182720485.db2.gz RLKCJCIUTBLVRJ-UHFFFAOYSA-N 0 0 225.085 2.896 50 0 BFAARN O=C1CCNc2c(Cl)cc(Cl)cc21 ZINC000000240683 182745072 /nfs/dbraw/zinc/74/50/72/182745072.db2.gz IHFYJLOOWUDKMZ-UHFFFAOYSA-N 0 0 216.067 2.992 50 0 BFAARN O=C1Nc2cccc(Br)c2[C@@H]2C[C@H]12 ZINC000091692567 182823298 /nfs/dbraw/zinc/82/32/98/182823298.db2.gz ICSDOBPACXLXLS-RITPCOANSA-N 0 0 238.084 2.505 50 0 BFAARN O=C1NC2(CCCCCC2)Oc2ccccc21 ZINC000000261924 182796265 /nfs/dbraw/zinc/79/62/65/182796265.db2.gz FHEGZMBTBNTEFE-UHFFFAOYSA-N 0 0 231.295 2.859 50 0 BFAARN O=C1OC(c2ccccc2)=N/C1=C/c1ccco1 ZINC000000047245 182826607 /nfs/dbraw/zinc/82/66/07/182826607.db2.gz QJBMVCDGBSYRJD-FMIVXFBMSA-N 0 0 239.230 2.624 50 0 BFAARN O=C1OC(c2cccs2)=N/C1=C/c1ccco1 ZINC000000430301 182827097 /nfs/dbraw/zinc/82/70/97/182827097.db2.gz TUHHROSPXZWLSF-VQHVLOKHSA-N 0 0 245.259 2.686 50 0 BFAARN O=Cc1cc(-c2ccc(Cl)cc2)on1 ZINC000012958130 182860670 /nfs/dbraw/zinc/86/06/70/182860670.db2.gz TUGDVOPMQBYENX-UHFFFAOYSA-N 0 0 207.616 2.808 50 0 BFAARN O=Cc1cc2c(cc1OCC1CC1)CCC2 ZINC000019735467 182862849 /nfs/dbraw/zinc/86/28/49/182862849.db2.gz GTWSPXIGPMJARK-UHFFFAOYSA-N 0 0 216.280 2.777 50 0 BFAARN O=Cc1cccc(OC(=O)C2CCCCC2)c1 ZINC000002558342 182871633 /nfs/dbraw/zinc/87/16/33/182871633.db2.gz KAWDPMXWDBVTBI-UHFFFAOYSA-N 0 0 232.279 2.985 50 0 BFAARN O=Cc1ccnc(-c2ccc(F)cc2)c1 ZINC000041210553 182873396 /nfs/dbraw/zinc/87/33/96/182873396.db2.gz UMICIVXTBAEPGA-UHFFFAOYSA-N 0 0 201.200 2.700 50 0 BFAARN O=Cc1cnc(SCc2ccccc2)nc1 ZINC000014608611 182874109 /nfs/dbraw/zinc/87/41/09/182874109.db2.gz VLTDTICMHNEHCX-UHFFFAOYSA-N 0 0 230.292 2.581 50 0 BFAARN O=Cc1cn(Cc2ccncc2)c2ccccc12 ZINC000006658041 182874212 /nfs/dbraw/zinc/87/42/12/182874212.db2.gz IGEPBUMFBDKBME-UHFFFAOYSA-N 0 0 236.274 2.897 50 0 BFAARN O=Cc1csc(-c2cccc(F)c2)n1 ZINC000035635874 182875499 /nfs/dbraw/zinc/87/54/99/182875499.db2.gz NFHKOFFGHNDDMB-UHFFFAOYSA-N 0 0 207.229 2.762 50 0 BFAARN CCCCO[C@H](C)OCC(F)(F)F ZINC000004334591 168914514 /nfs/dbraw/zinc/91/45/14/168914514.db2.gz DIKMXGDAKSQQSJ-ZETCQYMHSA-N 0 0 200.200 2.728 50 0 BFAARN O=c1[nH]c(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000004747523 182971023 /nfs/dbraw/zinc/97/10/23/182971023.db2.gz NJUPISSXOJDAHF-UHFFFAOYSA-N 0 0 235.352 2.904 50 0 BFAARN O=c1oc(Cc2ccccc2)nc2ccccc21 ZINC000000518414 183012500 /nfs/dbraw/zinc/01/25/00/183012500.db2.gz DDRPLKODWUPIEW-UHFFFAOYSA-N 0 0 237.258 2.779 50 0 biogenic BFAARN OC1(c2ccc(Br)cc2)CCC1 ZINC000038854983 183023552 /nfs/dbraw/zinc/02/35/52/183023552.db2.gz ZOAWHKTZPRKVFB-UHFFFAOYSA-N 0 0 227.101 2.821 50 0 BFAARN OCC1c2ccccc2CCc2ccccc21 ZINC000095630163 183041550 /nfs/dbraw/zinc/04/15/50/183041550.db2.gz NARLNRIFIJXMSO-UHFFFAOYSA-N 0 0 224.303 2.909 50 0 BFAARN OCCCCCCCCCCCCO ZINC000001574339 183044300 /nfs/dbraw/zinc/04/43/00/183044300.db2.gz GHLKSLMMWAKNBM-UHFFFAOYSA-N 0 0 202.338 2.872 50 0 BFAARN OC1c2ccccc2CCc2ccccc21 ZINC000001760835 183032146 /nfs/dbraw/zinc/03/21/46/183032146.db2.gz POAVRNPUPPJLKZ-UHFFFAOYSA-N 0 0 210.276 2.867 50 0 in-vitro BFAARN OCCSCc1ccc(Br)cc1 ZINC000019094163 183090174 /nfs/dbraw/zinc/09/01/74/183090174.db2.gz SDIQKFMFLRFZFU-UHFFFAOYSA-N 0 0 247.157 2.675 50 0 BFAARN OCCc1cn(C2CCCC2)nc1C(F)(F)F ZINC000095939568 183099753 /nfs/dbraw/zinc/09/97/53/183099753.db2.gz UJWAIXFZDIDBHV-UHFFFAOYSA-N 0 0 248.248 2.552 50 0 BFAARN CCCCc1cc(NC(=O)c2cc(C)on2)on1 ZINC000081760403 169018360 /nfs/dbraw/zinc/01/83/60/169018360.db2.gz ADYOREUWKFFZMB-UHFFFAOYSA-N 0 0 249.270 2.566 50 0 BFAARN CCCCc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000008772743 169028272 /nfs/dbraw/zinc/02/82/72/169028272.db2.gz BTVABVVRLVTNBX-UHFFFAOYSA-N 0 0 248.351 2.816 50 0 BFAARN CCCC[C@]1(C)NC(=S)N(c2ccccc2)N1 ZINC000002893207 169016043 /nfs/dbraw/zinc/01/60/43/169016043.db2.gz IRIJHSJAVQLFSN-CYBMUJFWSA-N 0 0 249.383 2.792 50 0 BFAARN OC[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000014235584 183150231 /nfs/dbraw/zinc/15/02/31/183150231.db2.gz VCSQMSVLVVGIPJ-JTQLQIEISA-N 0 0 248.351 2.505 50 0 BFAARN CCCCn1cnc(-c2ccccc2)cc1=O ZINC000038518034 169036700 /nfs/dbraw/zinc/03/67/00/169036700.db2.gz RBHVNOCSWAXUCO-UHFFFAOYSA-N 0 0 228.295 2.710 50 0 BFAARN OCc1ccc(F)cc1OCc1ccccc1 ZINC000090727944 183164920 /nfs/dbraw/zinc/16/49/20/183164920.db2.gz YTGCFHNGHJMIER-UHFFFAOYSA-N 0 0 232.254 2.897 50 0 BFAARN OCc1ccc(Cl)c(Br)c1 ZINC000044608010 183165153 /nfs/dbraw/zinc/16/51/53/183165153.db2.gz ZUXLQZNUPRSYEX-UHFFFAOYSA-N 0 0 221.481 2.595 50 0 BFAARN OCc1cc(-c2cccc3ncccc32)ccn1 ZINC000019812781 183160514 /nfs/dbraw/zinc/16/05/14/183160514.db2.gz YXRSKHNHFTWSEP-UHFFFAOYSA-N 0 0 236.274 2.789 50 0 BFAARN OCc1cc(C(F)(F)F)cc(Cl)c1F ZINC000002382181 183160534 /nfs/dbraw/zinc/16/05/34/183160534.db2.gz TXEZAXDRQCONER-UHFFFAOYSA-N 0 0 228.572 2.990 50 0 BFAARN OCc1cc(C(F)(F)F)ccc1Cl ZINC000002382126 183160766 /nfs/dbraw/zinc/16/07/66/183160766.db2.gz VEKMDPQNERMQMO-UHFFFAOYSA-N 0 0 210.582 2.851 50 0 BFAARN OCc1ccc(Br)c(Cl)c1 ZINC000067794651 183162825 /nfs/dbraw/zinc/16/28/25/183162825.db2.gz QXKNNVRGECWRKK-UHFFFAOYSA-N 0 0 221.481 2.595 50 0 BFAARN CCCN(C(=O)Nc1ccncc1F)C1CC1 ZINC000097135645 169043536 /nfs/dbraw/zinc/04/35/36/169043536.db2.gz HKGPUHVHEIJNKX-UHFFFAOYSA-N 0 0 237.278 2.627 50 0 BFAARN O[C@@H](COc1ccccc1)c1ccccc1 ZINC000014651612 183181985 /nfs/dbraw/zinc/18/19/85/183181985.db2.gz GSBICRJXEDSPTE-AWEZNQCLSA-N 0 0 214.264 2.799 50 0 BFAARN O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC000061893936 183183125 /nfs/dbraw/zinc/18/31/25/183183125.db2.gz IYYUIIVBJNRBSG-QMMMGPOBSA-N 0 0 224.609 2.806 50 0 BFAARN OCc1ccc(OCc2cccc(F)c2)cc1 ZINC000000461579 183165934 /nfs/dbraw/zinc/16/59/34/183165934.db2.gz JTEAJDZCZAAZJA-UHFFFAOYSA-N 0 0 232.254 2.897 50 0 BFAARN OCc1cccc(NCc2ccc(F)cc2)c1 ZINC000035045422 183167418 /nfs/dbraw/zinc/16/74/18/183167418.db2.gz OHVKPEMBAWGFOU-UHFFFAOYSA-N 0 0 231.270 2.930 50 0 BFAARN OCc1cccc(Br)c1Cl ZINC000095642849 183167676 /nfs/dbraw/zinc/16/76/76/183167676.db2.gz UAMPSBOTQHHEIA-UHFFFAOYSA-N 0 0 221.481 2.595 50 0 BFAARN OCc1cccc(Oc2ccccc2)c1 ZINC000000391848 183168249 /nfs/dbraw/zinc/16/82/49/183168249.db2.gz KGANAERDZBAECK-UHFFFAOYSA-N 0 0 200.237 2.971 50 0 in-vitro BFAARN O[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000004234986 183185828 /nfs/dbraw/zinc/18/58/28/183185828.db2.gz MZQRXCOFRPWTPC-ZDUSSCGKSA-N 0 0 202.228 2.907 50 0 BFAARN O[C@@H](c1nc2ccccc2s1)C(F)(F)F ZINC000008132973 183186847 /nfs/dbraw/zinc/18/68/47/183186847.db2.gz VIIWUYMGSVRMGH-ZETCQYMHSA-N 0 0 233.214 2.892 50 0 BFAARN O[C@@H]1CCCC[C@H]1Oc1ccc(F)cc1F ZINC000037696134 183191587 /nfs/dbraw/zinc/19/15/87/183191587.db2.gz MYJIDMDCPYJRAE-ZYHUDNBSSA-N 0 0 228.238 2.647 50 0 BFAARN O[C@H]1c2ccccc2[C@H]2[C@@H]1c1ccccc1[C@H]2O ZINC000017837510 183214357 /nfs/dbraw/zinc/21/43/57/183214357.db2.gz ZHODMXFAYOBKEZ-YHUYYLMFSA-N 0 0 238.286 2.648 50 0 BFAARN O[C@H]1Cc2ccccc2O[C@H]1c1ccccc1 ZINC000033899502 183249328 /nfs/dbraw/zinc/24/93/28/183249328.db2.gz OEIJRRGCTVHYTH-ZFWWWQNUSA-N 0 0 226.275 2.724 50 0 in-vitro BFAARN O[C@H]1CCCC[C@@H]1Oc1ccc(F)cc1F ZINC000037696132 183232786 /nfs/dbraw/zinc/23/27/86/183232786.db2.gz MYJIDMDCPYJRAE-JQWIXIFHSA-N 0 0 228.238 2.647 50 0 BFAARN O[C@H]1CCCCc2ccc(cc2)CCCC[C@@H]1O ZINC000004795140 183234508 /nfs/dbraw/zinc/23/45/08/183234508.db2.gz JXIHXAVCJYWKDJ-HOTGVXAUSA-N 0 0 248.366 2.848 50 0 BFAARN CCC[N@H+](CC)Cc1ccc(C(=O)[O-])cc1 ZINC000037095281 169129956 /nfs/dbraw/zinc/12/99/56/169129956.db2.gz DKMTXYJVRYCONB-UHFFFAOYSA-N 0 0 221.300 2.617 50 0 BFAARN CCCN(CC1CC1)C(=O)[C@H]1CC=CCC1 ZINC000052934464 169136496 /nfs/dbraw/zinc/13/64/96/169136496.db2.gz WSLRNUVOKQBCEY-ZDUSSCGKSA-N 0 0 221.344 2.991 50 0 BFAARN Oc1cc(Br)c2ncccc2c1 ZINC000060223543 183257427 /nfs/dbraw/zinc/25/74/27/183257427.db2.gz KMPGTDGDSRRYHB-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Oc1cccc(-c2ccnc(Cl)n2)c1 ZINC000038580117 183285803 /nfs/dbraw/zinc/28/58/03/183285803.db2.gz FBHTXOQEDBGING-UHFFFAOYSA-N 0 0 206.632 2.503 50 0 BFAARN Oc1ccc2sc(Br)nc2c1 ZINC000075842533 183286188 /nfs/dbraw/zinc/28/61/88/183286188.db2.gz DVKCSKREVCNXIP-UHFFFAOYSA-N 0 0 230.086 2.764 50 0 BFAARN CCCN(CCC)c1nc2c(c(C)n1)CCC2 ZINC000001394120 169154498 /nfs/dbraw/zinc/15/44/98/169154498.db2.gz WZBPUSNHVLZQIU-UHFFFAOYSA-N 0 0 233.359 2.900 50 0 BFAARN Oc1cccc([C@H](O)c2ccc(F)cc2)c1 ZINC000075871956 183294249 /nfs/dbraw/zinc/29/42/49/183294249.db2.gz AFIUEJLTADFMAR-CYBMUJFWSA-N 0 0 218.227 2.613 50 0 BFAARN Oc1cccc2cncc(Br)c12 ZINC000090714978 183298260 /nfs/dbraw/zinc/29/82/60/183298260.db2.gz ICYBHMHMRXOUCL-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Oc1ccccc1C(=S)N1CCCCC1 ZINC000013130517 183301485 /nfs/dbraw/zinc/30/14/85/183301485.db2.gz FDEJXMBAYGPUFC-UHFFFAOYSA-N 0 0 221.325 2.554 50 0 BFAARN Oc1cnc2c(Br)cccc2c1 ZINC000084122434 183304901 /nfs/dbraw/zinc/30/49/01/183304901.db2.gz XNYASQFAVCWKQC-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN S=c1nc(-c2ccc3c(c2)CCO3)cc[nH]1 ZINC000015919733 183314856 /nfs/dbraw/zinc/31/48/56/183314856.db2.gz ILABTJJCSBGTKL-UHFFFAOYSA-N 0 0 230.292 2.741 50 0 BFAARN S=c1nncc(-c2cc3ccccc3o2)[nH]1 ZINC000074941363 183316611 /nfs/dbraw/zinc/31/66/11/183316611.db2.gz YVASKKIWDSEWRU-UHFFFAOYSA-N 0 0 229.264 2.574 50 0 BFAARN CCCN(c1ncc(Cl)cn1)C1CC1 ZINC000097145468 169184073 /nfs/dbraw/zinc/18/40/73/169184073.db2.gz CJGCFAKBGSSLNZ-UHFFFAOYSA-N 0 0 211.696 2.509 50 0 BFAARN O=c1[nH]c(-c2ccccn2)nc2ccc(F)cc21 ZINC000048606597 183308026 /nfs/dbraw/zinc/30/80/26/183308026.db2.gz BXEVASZBAQVORP-UHFFFAOYSA-N 0 0 241.225 2.537 50 0 BFAARN S=C(NCCC1=CCCCC1)NC1CC1 ZINC000006855111 183310913 /nfs/dbraw/zinc/31/09/13/183310913.db2.gz VKQKJCKGAFDSRR-UHFFFAOYSA-N 0 0 224.373 2.503 50 0 BFAARN S=C(NNc1ccccc1)NC1CCCCC1 ZINC000000037281 183311384 /nfs/dbraw/zinc/31/13/84/183311384.db2.gz DCFLHKOWKJTAAZ-UHFFFAOYSA-N 0 0 249.383 2.810 50 0 BFAARN S=C(Nc1cccc2ncccc21)NC1CC1 ZINC000130436619 183311686 /nfs/dbraw/zinc/31/16/86/183311686.db2.gz VPJGIOYLTKQEAJ-UHFFFAOYSA-N 0 0 243.335 2.684 50 0 BFAARN S=C(NCc1ccccc1)Nc1cccnc1 ZINC000007526199 183311760 /nfs/dbraw/zinc/31/17/60/183311760.db2.gz ZIERMWDJPNPBBH-UHFFFAOYSA-N 0 0 243.335 2.568 50 0 BFAARN S=C(NC1CC1)NC1(c2ccccc2)CCC1 ZINC000053581056 183311763 /nfs/dbraw/zinc/31/17/63/183311763.db2.gz YSVHDUNDLQQPJV-UHFFFAOYSA-N 0 0 246.379 2.692 50 0 BFAARN S=C1O[C@H]2[C@@H](O1)C13CC=CCC21CC=CC3 ZINC000045027668 183313351 /nfs/dbraw/zinc/31/33/51/183313351.db2.gz SRGFULQHILKTAT-ASZHBFLOSA-N 0 0 234.320 2.742 50 0 BFAARN CCCNC(=O)COc1ccc(Cl)cc1C ZINC000002084813 169231298 /nfs/dbraw/zinc/23/12/98/169231298.db2.gz QBDMHULBUKQSDR-UHFFFAOYSA-N 0 0 241.718 2.553 50 0 BFAARN CCCN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000047718564 169205984 /nfs/dbraw/zinc/20/59/84/169205984.db2.gz JAJUPZHJENVMSP-ZDUSSCGKSA-N 0 0 223.291 2.609 50 0 BFAARN CCCNC(=O)CCSc1ccc(F)cc1 ZINC000041782202 169217846 /nfs/dbraw/zinc/21/78/46/169217846.db2.gz BMFQJTAWQNURIT-UHFFFAOYSA-N 0 0 241.331 2.834 50 0 BFAARN CCCNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000006699629 169238451 /nfs/dbraw/zinc/23/84/51/169238451.db2.gz XENCUJFDUJMZFG-CYBMUJFWSA-N 0 0 232.327 2.773 50 0 BFAARN CCCNC(=O)N[C@@H](C)c1cccs1 ZINC000002987650 169238597 /nfs/dbraw/zinc/23/85/97/169238597.db2.gz WQZXJOCLGLMHIZ-QMMMGPOBSA-N 0 0 212.318 2.518 50 0 BFAARN CCCNC(=O)N[C@H]1CCCc2ccccc21 ZINC000006699630 169239069 /nfs/dbraw/zinc/23/90/69/169239069.db2.gz XENCUJFDUJMZFG-ZDUSSCGKSA-N 0 0 232.327 2.773 50 0 BFAARN c1nnc2ccc(NC3CCCCCCC3)nn12 ZINC000032096829 183377046 /nfs/dbraw/zinc/37/70/46/183377046.db2.gz WITOIUOAIADTGD-UHFFFAOYSA-N 0 0 245.330 2.649 50 0 BFAARN c1cc2n(c1)CCN=C2C1CCCCC1 ZINC000023549805 183377274 /nfs/dbraw/zinc/37/72/74/183377274.db2.gz VMODTBKEIYRKGR-UHFFFAOYSA-N 0 0 202.301 2.871 50 0 BFAARN CCCNC(=O)[C@@H](C)Oc1ccccc1CC ZINC000019933277 169242797 /nfs/dbraw/zinc/24/27/97/169242797.db2.gz BLKBXHRCTGDNBR-LLVKDONJSA-N 0 0 235.327 2.543 50 0 BFAARN c1ccc(-c2cc3c4nonc4ccc3nn2)cc1 ZINC000000087052 183379395 /nfs/dbraw/zinc/37/93/95/183379395.db2.gz GJJKCCBTWZRCFD-UHFFFAOYSA-N 0 0 248.245 2.833 50 0 BFAARN c1ccc(-c2nnc3c4ccccc4ncn23)cc1 ZINC000001797254 183384508 /nfs/dbraw/zinc/38/45/08/183384508.db2.gz RMYTYIIUGULWKY-UHFFFAOYSA-N 0 0 246.273 2.945 50 0 BFAARN CCCNC(=O)[C@H](CC)c1ccccc1 ZINC000002745677 169249085 /nfs/dbraw/zinc/24/90/85/169249085.db2.gz QOKXKNXYKXZFPD-GFCCVEGCSA-N 0 0 205.301 2.706 50 0 BFAARN CCCNC(=O)c1c(C)onc1-c1ccccc1 ZINC000002950781 169249633 /nfs/dbraw/zinc/24/96/33/169249633.db2.gz KNWAMIVNVXVFIO-UHFFFAOYSA-N 0 0 244.294 2.790 50 0 BFAARN CCCNC(=O)c1cc(C)nc2ccccc21 ZINC000003038617 169250472 /nfs/dbraw/zinc/25/04/72/169250472.db2.gz XAUKSKSIFMDBJE-UHFFFAOYSA-N 0 0 228.295 2.683 50 0 BFAARN CCCNC(=O)c1ccc(OCCC)cc1 ZINC000006324110 169251409 /nfs/dbraw/zinc/25/14/09/169251409.db2.gz MDGUZKWSSBKHTA-UHFFFAOYSA-N 0 0 221.300 2.615 50 0 BFAARN c1ccc(C2=NN[C@H](c3ccncc3)S2)cc1 ZINC000005390944 183388703 /nfs/dbraw/zinc/38/87/03/183388703.db2.gz WODZHWJWXIDFFS-ZDUSSCGKSA-N 0 0 241.319 2.778 50 0 BFAARN c1ccc(C2=NN[C@@H](c3ccncc3)S2)cc1 ZINC000005390945 183389094 /nfs/dbraw/zinc/38/90/94/183389094.db2.gz WODZHWJWXIDFFS-CYBMUJFWSA-N 0 0 241.319 2.778 50 0 BFAARN c1[nH]nnc1SCCCc1ccccc1 ZINC000097012073 183391156 /nfs/dbraw/zinc/39/11/56/183391156.db2.gz JWIVIRIZGFTXEM-UHFFFAOYSA-N 0 0 219.313 2.530 50 0 BFAARN c1ccc(CCNc2nc3ccccc3o2)nc1 ZINC000022757221 183394778 /nfs/dbraw/zinc/39/47/78/183394778.db2.gz MBJSZQPMAQRYGI-UHFFFAOYSA-N 0 0 239.278 2.877 50 0 BFAARN c1ccc(Cc2nc3ccccc3[nH]2)nc1 ZINC000000390283 183412691 /nfs/dbraw/zinc/41/26/91/183412691.db2.gz KWPAMQYOBCDQCJ-UHFFFAOYSA-N 0 0 209.252 2.549 50 0 BFAARN CCCOc1cc2c(cc1C=O)O[C@H](C)C2 ZINC000020283917 169315711 /nfs/dbraw/zinc/31/57/11/169315711.db2.gz KVKAGKNBCAFUSQ-SECBINFHSA-N 0 0 220.268 2.611 50 0 BFAARN CCCOc1ccc(Br)c(F)n1 ZINC000261494502 169316143 /nfs/dbraw/zinc/31/61/43/169316143.db2.gz ZGRAMUXOTYWETC-UHFFFAOYSA-N 0 0 234.068 2.772 50 0 BFAARN CCCOc1ccc(/C=C/[N+](=O)[O-])cc1OC ZINC000016757483 169316253 /nfs/dbraw/zinc/31/62/53/169316253.db2.gz QWOHBYDMJLFLNY-VOTSOKGWSA-N 0 0 237.255 2.731 50 0 BFAARN CCCOc1ccc(Br)cn1 ZINC000016677938 169316259 /nfs/dbraw/zinc/31/62/59/169316259.db2.gz YAWVJCMWTJITGM-UHFFFAOYSA-N 0 0 216.078 2.633 50 0 BFAARN CCCNc1cc(C)oc(=O)c1C(=O)CCC ZINC000100343686 169293831 /nfs/dbraw/zinc/29/38/31/169293831.db2.gz UBGHQHDUIUDNSB-UHFFFAOYSA-N 0 0 237.299 2.753 50 0 BFAARN CCCNc1cnc2c(cnn2C(C)C)c1 ZINC000020148133 169296012 /nfs/dbraw/zinc/29/60/12/169296012.db2.gz HBONMJWIMPWSJW-UHFFFAOYSA-N 0 0 218.304 2.834 50 0 BFAARN CCCSc1cc(C(N)=O)c2ccccc2n1 ZINC000032907159 169341657 /nfs/dbraw/zinc/34/16/57/169341657.db2.gz RPFWHZRBIYQAEV-UHFFFAOYSA-N 0 0 246.335 2.836 50 0 BFAARN CCCSc1nc2sccc2c(N)n1 ZINC000022313194 169341805 /nfs/dbraw/zinc/34/18/05/169341805.db2.gz IQHKVQORSLGRTP-UHFFFAOYSA-N 0 0 225.342 2.776 50 0 BFAARN CCCOc1cccc(C(=O)Nc2ccon2)c1 ZINC000013746926 169324108 /nfs/dbraw/zinc/32/41/08/169324108.db2.gz LLYITYNYNOSZLZ-UHFFFAOYSA-N 0 0 246.266 2.716 50 0 BFAARN c1nnc2n1-c1ccccc1-c1ccccc1-2 ZINC000001279894 183440767 /nfs/dbraw/zinc/44/07/67/183440767.db2.gz WQRXBXVBBCNIFJ-UHFFFAOYSA-N 0 0 219.247 2.915 50 0 BFAARN c1nc(S[C@H]2CCCc3ccccc32)n[nH]1 ZINC000046875584 183441438 /nfs/dbraw/zinc/44/14/38/183441438.db2.gz GJYKIPDMYHRNRX-NSHDSACASA-N 0 0 231.324 2.974 50 0 BFAARN CCC[C@@H](C)NC(=O)COc1ccc(C)cc1C ZINC000045966079 169367893 /nfs/dbraw/zinc/36/78/93/169367893.db2.gz WAARHXOEZADDGH-CYBMUJFWSA-N 0 0 249.354 2.987 50 0 BFAARN CCC[C@@H](C)NC(=O)Cc1ccccc1OC ZINC000000441752 169368309 /nfs/dbraw/zinc/36/83/09/169368309.db2.gz RLHIJPHMKYMAJF-LLVKDONJSA-N 0 0 235.327 2.543 50 0 BFAARN CCC[C@@H](C)C(=O)NCc1ccc(OC)cc1 ZINC000000450093 169350749 /nfs/dbraw/zinc/35/07/49/169350749.db2.gz HYFRYIZBLORNAY-LLVKDONJSA-N 0 0 235.327 2.748 50 0 biogenic BFAARN CCC[C@@H](C)CC(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000095957782 169356087 /nfs/dbraw/zinc/35/60/87/169356087.db2.gz ADMWAMQEJYHWPJ-SNVBAGLBSA-N 0 0 245.326 2.750 50 0 BFAARN c1sc([C@H]2CCOC2)nc1C1CCOCC1 ZINC000096490187 183554108 /nfs/dbraw/zinc/55/41/08/183554108.db2.gz GKICGKTYXMZRQK-JTQLQIEISA-N 0 0 239.340 2.541 50 0 BFAARN CCC[C@H](C)NC(=O)c1ccc(NC(C)=O)cc1 ZINC000000030376 169493099 /nfs/dbraw/zinc/49/30/99/169493099.db2.gz ONDSPLWAURSXSA-JTQLQIEISA-N 0 0 248.326 2.563 50 0 BFAARN CCCn1cc(NCc2c(C)noc2C)cn1 ZINC000090191207 169620740 /nfs/dbraw/zinc/62/07/40/169620740.db2.gz DXLNSPYBYYGATL-UHFFFAOYSA-N 0 0 234.303 2.510 50 0 BFAARN CCCn1ncnc1-c1ccc2ncccc2c1 ZINC000096166454 169626644 /nfs/dbraw/zinc/62/66/44/169626644.db2.gz CTBIXLPMLIHVQO-UHFFFAOYSA-N 0 0 238.294 2.903 50 0 BFAARN CCN(C(=O)c1cc(C)oc1C)C1CC1 ZINC000032760920 169655716 /nfs/dbraw/zinc/65/57/16/169655716.db2.gz LRRGYNKTZBGMFQ-UHFFFAOYSA-N 0 0 207.273 2.521 50 0 BFAARN Brc1cccc(N2CCCCC2)n1 ZINC000020230786 532968961 /nfs/dbraw/zinc/96/89/61/532968961.db2.gz YHQZMCNKHWPFBS-UHFFFAOYSA-N 0 0 241.132 2.834 50 0 BFAARN C[C@@H](NC(=O)c1ccccn1)c1ccccc1 ZINC000000097796 383827035 /nfs/dbraw/zinc/82/70/35/383827035.db2.gz HSECEQYULBGNJA-LLVKDONJSA-N 0 0 226.279 2.573 50 0 BFAARN Cc1ccc([C@@H]2NC(=O)c3ccccc3O2)cc1 ZINC000000050966 383818963 /nfs/dbraw/zinc/81/89/63/383818963.db2.gz NAUIKHQOPHSUKM-OAHLLOKOSA-N 0 0 239.274 2.816 50 0 BFAARN Cc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000000059338 383820968 /nfs/dbraw/zinc/82/09/68/383820968.db2.gz GCFLVEVTCIKTNM-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN O=Cc1c[nH]c2ccc(Br)cc12 ZINC000000163541 383838939 /nfs/dbraw/zinc/83/89/39/383838939.db2.gz PEENKJZANBYXNB-UHFFFAOYSA-N 0 0 224.057 2.743 50 0 BFAARN COC(=O)c1cc(Cl)nc2ccccc21 ZINC000000259596 383846769 /nfs/dbraw/zinc/84/67/69/383846769.db2.gz TZKVCCWVZWZXKK-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN O=C(/C=C/c1ccc(F)cc1)NCc1ccco1 ZINC000000259095 383847622 /nfs/dbraw/zinc/84/76/22/383847622.db2.gz HQJCKEAWNSKHRG-VMPITWQZSA-N 0 0 245.253 2.748 50 0 BFAARN c1ccc(Cc2nc(-c3ccccn3)no2)cc1 ZINC000000317963 383853837 /nfs/dbraw/zinc/85/38/37/383853837.db2.gz PWTJEKDYKXTIIR-UHFFFAOYSA-N 0 0 237.262 2.722 50 0 BFAARN C[C@@H](NC(=O)C1CCC1)c1ccccc1 ZINC000000306862 383853879 /nfs/dbraw/zinc/85/38/79/383853879.db2.gz AVDXXYLSJRRPFH-SNVBAGLBSA-N 0 0 203.285 2.664 50 0 BFAARN Cc1ccc(OCC(=O)Oc2ccccc2)cc1 ZINC000000302427 383854000 /nfs/dbraw/zinc/85/40/00/383854000.db2.gz ZDSHUODJHDXTNI-UHFFFAOYSA-N 0 0 242.274 2.979 50 0 BFAARN C[C@@](O)(c1cc2ccccc2[nH]1)c1ccncc1 ZINC000000336805 383855852 /nfs/dbraw/zinc/85/58/52/383855852.db2.gz SLUGGHNQQAQXEJ-HNNXBMFYSA-N 0 0 238.290 2.819 50 0 BFAARN Cc1nc(-c2ccc(C=O)cc2)cs1 ZINC000000337616 383856223 /nfs/dbraw/zinc/85/62/23/383856223.db2.gz KZEOQFIBKXJGEX-UHFFFAOYSA-N 0 0 203.266 2.931 50 0 BFAARN O=Cc1c(-c2ccccc2)nc2ccccn12 ZINC000000337535 383856764 /nfs/dbraw/zinc/85/67/64/383856764.db2.gz GDQWGRMPXASNTI-UHFFFAOYSA-N 0 0 222.247 2.814 50 0 BFAARN O=c1oc2ccccc2n1CCc1ccccc1 ZINC000000383240 383861695 /nfs/dbraw/zinc/86/16/95/383861695.db2.gz NUKWDYNMQFPRIJ-UHFFFAOYSA-N 0 0 239.274 2.837 50 0 BFAARN CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000000378692 383861736 /nfs/dbraw/zinc/86/17/36/383861736.db2.gz QSKRRXSLYFMQSJ-NSHDSACASA-N 0 0 244.250 2.570 50 0 BFAARN O=CNc1nc2c(cccc2Cl)s1 ZINC000000405842 383865652 /nfs/dbraw/zinc/86/56/52/383865652.db2.gz NJETYQXTSMIMTM-UHFFFAOYSA-N 0 0 212.661 2.518 50 0 BFAARN CCC[C@H](C)C(=O)n1nnc2ccccc21 ZINC000000444034 383867801 /nfs/dbraw/zinc/86/78/01/383867801.db2.gz YLCKSTYHCNWOFR-VIFPVBQESA-N 0 0 217.272 2.508 50 0 BFAARN Cc1ccc(C(=O)NCc2ccc(F)cc2)o1 ZINC000000473667 383872603 /nfs/dbraw/zinc/87/26/03/383872603.db2.gz OVRSLBFXRXVYCK-UHFFFAOYSA-N 0 0 233.242 2.657 50 0 BFAARN CC(=O)CC(=O)Nc1ccc2ccccc2c1 ZINC000000563913 383874258 /nfs/dbraw/zinc/87/42/58/383874258.db2.gz SJZXYYGWOBQVKI-UHFFFAOYSA-N 0 0 227.263 2.757 50 0 in-vitro BFAARN Cc1ccc(C(=O)Nc2ncccn2)cc1Cl ZINC000000614229 383878046 /nfs/dbraw/zinc/87/80/46/383878046.db2.gz WFMXKVHHCJPADF-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN CCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000000119455 383830885 /nfs/dbraw/zinc/83/08/85/383830885.db2.gz LRAJJEZKIKVEIG-UHFFFAOYSA-N 0 0 226.279 2.896 50 0 BFAARN C[C@H](NC(=O)c1ccccc1N)c1ccccc1 ZINC000000150133 383833171 /nfs/dbraw/zinc/83/31/71/383833171.db2.gz KBRHMOXICLSVTL-NSHDSACASA-N 0 0 240.306 2.760 50 0 BFAARN CSC1=NC(=Cc2cccs2)C(=O)N1 ZINC000000134710 383833472 /nfs/dbraw/zinc/83/34/72/383833472.db2.gz XLBWHIQGWWWOJT-FNORWQNLSA-N 0 0 224.310 2.778 50 0 BFAARN CCC[C@H](C)Nc1cnc2c(c1)c(C)nn2C ZINC000037084779 383934466 /nfs/dbraw/zinc/93/44/66/383934466.db2.gz QFQZLJNVDMKLNT-VIFPVBQESA-N 0 0 232.331 2.877 50 0 BFAARN C[C@@H]1S[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000000205676 383910347 /nfs/dbraw/zinc/91/03/47/383910347.db2.gz ICYPBIOPOTZPGH-WKEGUHRASA-N 0 0 227.716 2.590 50 0 BFAARN Cc1ccc(S(=O)(=O)Oc2ccccc2)cc1 ZINC000001706217 383926458 /nfs/dbraw/zinc/92/64/58/383926458.db2.gz KZQFPRKQBWRRHQ-UHFFFAOYSA-N 0 0 248.303 2.763 50 0 BFAARN CC(=O)Nc1c(C)ccc2nc(C)ccc21 ZINC000067640857 383932476 /nfs/dbraw/zinc/93/24/76/383932476.db2.gz QPLDYBXGYAATNA-UHFFFAOYSA-N 0 0 214.268 2.810 50 0 BFAARN COC(=O)c1ccc(-c2ccccc2N)cc1 ZINC000001258204 383891921 /nfs/dbraw/zinc/89/19/21/383891921.db2.gz GQXOBDOHRQGRFG-UHFFFAOYSA-N 0 0 227.263 2.722 50 0 BFAARN C[C@H](NC(=O)C1CC1)c1cccc(Cl)c1 ZINC000050042674 383894965 /nfs/dbraw/zinc/89/49/65/383894965.db2.gz KTJRZYPZKBKMDE-QMMMGPOBSA-N 0 0 223.703 2.927 50 0 BFAARN COC(=O)c1[nH]c2ccccc2c1Cl ZINC000001395115 383896641 /nfs/dbraw/zinc/89/66/41/383896641.db2.gz XRPAKOBVNUUWFE-UHFFFAOYSA-N 0 0 209.632 2.608 50 0 BFAARN C[C@@H](NC(=O)c1cccs1)c1ccc(O)cc1 ZINC000001446001 383900065 /nfs/dbraw/zinc/90/00/65/383900065.db2.gz ALLCYDKHXRPRBE-SECBINFHSA-N 0 0 247.319 2.945 50 0 BFAARN COC(=O)/C=C/c1ccccc1Br ZINC000036439700 383901618 /nfs/dbraw/zinc/90/16/18/383901618.db2.gz YIHZPTVKKKVMHT-VOTSOKGWSA-N 0 0 241.084 2.635 50 0 BFAARN O=Cc1nc(-c2ccc(F)cc2)cs1 ZINC000002582751 383980331 /nfs/dbraw/zinc/98/03/31/383980331.db2.gz WFSOVONCIJOYCO-UHFFFAOYSA-N 0 0 207.229 2.762 50 0 BFAARN Cc1cnn(Cc2ccn(C3CCCC3)n2)c1 ZINC000089702521 383985690 /nfs/dbraw/zinc/98/56/90/383985690.db2.gz HCNZFULRTHRUSE-UHFFFAOYSA-N 0 0 230.315 2.551 50 0 BFAARN CC(C)c1cc(C(=O)Nc2ccncc2F)on1 ZINC000095441783 383986750 /nfs/dbraw/zinc/98/67/50/383986750.db2.gz KPEIYVWGRLMYBN-UHFFFAOYSA-N 0 0 249.245 2.584 50 0 BFAARN Cc1ccc(C)c(OCC(=O)NC2CCCC2)c1 ZINC000002938317 383993660 /nfs/dbraw/zinc/99/36/60/383993660.db2.gz ORYKDAPXOPHONJ-UHFFFAOYSA-N 0 0 247.338 2.741 50 0 BFAARN C[C@H]1[C@H](C)C1(Br)Br ZINC000003051605 383997147 /nfs/dbraw/zinc/99/71/47/383997147.db2.gz LHYCCVIMMLLDLH-IMJSIDKUSA-N 0 0 227.927 2.758 50 0 BFAARN Cc1csc(CNc2ncc(C)s2)n1 ZINC000134992043 383997234 /nfs/dbraw/zinc/99/72/34/383997234.db2.gz KFQIUSAMRINARX-UHFFFAOYSA-N 0 0 225.342 2.829 50 0 BFAARN Cn1cnnc1-c1cc(Cl)ccc1Cl ZINC000067674906 383937173 /nfs/dbraw/zinc/93/71/73/383937173.db2.gz GDVMDYCNWRVIKG-UHFFFAOYSA-N 0 0 228.082 2.789 50 0 BFAARN COCc1ccc(-c2nc3ccccc3[nH]2)o1 ZINC000067772254 383944102 /nfs/dbraw/zinc/94/41/02/383944102.db2.gz QPKJFDXVGDWIMQ-UHFFFAOYSA-N 0 0 228.251 2.969 50 0 BFAARN CCCCNc1c(C=O)c(=O)oc2ccccc21 ZINC000002029132 383946824 /nfs/dbraw/zinc/94/68/24/383946824.db2.gz ZRDDDCSIZHRDIR-UHFFFAOYSA-N 0 0 245.278 2.818 50 0 BFAARN CC(=O)c1csc(C(=O)N2CCCCC2)c1 ZINC000089291938 383957930 /nfs/dbraw/zinc/95/79/30/383957930.db2.gz NGMSMDMQDAFPFI-UHFFFAOYSA-N 0 0 237.324 2.577 50 0 BFAARN FC(F)(F)[C@@H]1C[C@H](C2CC2)Nc2ccnn21 ZINC000002536696 383971401 /nfs/dbraw/zinc/97/14/01/383971401.db2.gz LDDDMXZXZTZPGS-SFYZADRCSA-N 0 0 231.221 2.581 50 0 BFAARN COC(=O)c1ccc(-c2cccc(C=O)c2)cc1 ZINC000002525668 383971508 /nfs/dbraw/zinc/97/15/08/383971508.db2.gz AQDLVJIWBSWMFZ-UHFFFAOYSA-N 0 0 240.258 2.953 50 0 BFAARN Cc1[nH]ccc1C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000089536757 383976286 /nfs/dbraw/zinc/97/62/86/383976286.db2.gz KQJGJQVQFKVYOW-YPMHNXCESA-N 0 0 232.327 2.728 50 0 BFAARN O=C1c2ccccc2CC[C@@H]1C(F)(F)F ZINC000072194631 384016006 /nfs/dbraw/zinc/01/60/06/384016006.db2.gz CBDOEEPTRHUPCK-VIFPVBQESA-N 0 0 214.186 2.994 50 0 BFAARN CCCCNc1nc(C)c(C(=O)OCC)s1 ZINC000004294224 384053943 /nfs/dbraw/zinc/05/39/43/384053943.db2.gz DTTJRKCVQMPVFF-UHFFFAOYSA-N 0 0 242.344 2.840 50 0 BFAARN O=Cc1csc(-c2ccc(F)cc2)n1 ZINC000004219189 384048699 /nfs/dbraw/zinc/04/86/99/384048699.db2.gz JICLYSLZMLTUSP-UHFFFAOYSA-N 0 0 207.229 2.762 50 0 BFAARN COC(=O)c1cc2c([nH]1)c(C)c(OC)cc2C ZINC000004235042 384050563 /nfs/dbraw/zinc/05/05/63/384050563.db2.gz BMPIKDTVZWNXPN-UHFFFAOYSA-N 0 0 233.267 2.580 50 0 BFAARN C[C@H]1O[C@H]2c3ccccc3C[C@@H]2[C@@H](C)O1 ZINC000003995521 384036993 /nfs/dbraw/zinc/03/69/93/384036993.db2.gz SHWFPOIJJLMZKA-RQSQLSILSA-N 0 0 204.269 2.681 50 0 BFAARN CCOCc1ccccc1Br ZINC000038536983 384086011 /nfs/dbraw/zinc/08/60/11/384086011.db2.gz IRJIHLOLKDSXAJ-UHFFFAOYSA-N 0 0 215.090 2.986 50 0 BFAARN Clc1ncnc2cc(-c3ccco3)[nH]c21 ZINC000090495615 384054580 /nfs/dbraw/zinc/05/45/80/384054580.db2.gz REFMGPMDTWMXGV-UHFFFAOYSA-N 0 0 219.631 2.871 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)Nc2ccccn2)o1 ZINC000043723123 384063716 /nfs/dbraw/zinc/06/37/16/384063716.db2.gz FVRAJQUOOFIDII-SNVBAGLBSA-N 0 0 245.282 2.866 50 0 BFAARN CC(C)(C)OC(=O)NC1(c2ccccn2)CC1 ZINC000090635970 384065965 /nfs/dbraw/zinc/06/59/65/384065965.db2.gz SJMCLXGSTZURGK-UHFFFAOYSA-N 0 0 234.299 2.595 50 0 BFAARN C[C@@H]1Oc2ccccc2O[C@@]1(O)c1ccccc1 ZINC000004566059 384070532 /nfs/dbraw/zinc/07/05/32/384070532.db2.gz OMVNOIPTRCIZJH-XHDPSFHLSA-N 0 0 242.274 2.692 50 0 BFAARN Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000005066521 384097207 /nfs/dbraw/zinc/09/72/07/384097207.db2.gz IKOYAQXGLSFYSH-UHFFFAOYSA-N 0 0 245.229 2.806 50 0 BFAARN CCc1cccc(C)c1NC(=O)c1cnccn1 ZINC000003548636 384100095 /nfs/dbraw/zinc/10/00/95/384100095.db2.gz CFQGEMHGBOVNNS-UHFFFAOYSA-N 0 0 241.294 2.600 50 0 BFAARN CS(=O)(=O)n1c2ccccc2c2ccccc21 ZINC000039171306 384108898 /nfs/dbraw/zinc/10/88/98/384108898.db2.gz WANZPOQEQVYVEZ-UHFFFAOYSA-N 0 0 245.303 2.602 50 0 BFAARN Nc1cc(SC(F)(F)F)ccc1O ZINC000091252810 384112884 /nfs/dbraw/zinc/11/28/84/384112884.db2.gz DJYRPQFDXPTWKU-UHFFFAOYSA-N 0 0 209.192 2.586 50 0 BFAARN CC/C=C/C[C@@H]1C(=O)CC[C@H]1CC(=O)OC ZINC000005447659 384113720 /nfs/dbraw/zinc/11/37/20/384113720.db2.gz GEWDNTWNSAZUDX-NNOMMRTBSA-N 0 0 224.300 2.501 50 0 in-vitro BFAARN CS[C@@H]1CC[C@@H](Nc2nc(C)ns2)C1 ZINC000078476833 384114078 /nfs/dbraw/zinc/11/40/78/384114078.db2.gz HZBZAWXVXFZGFG-HTQZYQBOSA-N 0 0 229.374 2.543 50 0 BFAARN CS[C@H]1CC[C@H](Nc2nc(C)ns2)C1 ZINC000078476830 384114493 /nfs/dbraw/zinc/11/44/93/384114493.db2.gz HZBZAWXVXFZGFG-YUMQZZPRSA-N 0 0 229.374 2.543 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC000091294590 384114634 /nfs/dbraw/zinc/11/46/34/384114634.db2.gz ZZMDNEIXGBMMFK-UHFFFAOYSA-N 0 0 248.282 2.528 50 0 BFAARN O=Cc1ccc(Cl)cc1Br ZINC000039409762 384115175 /nfs/dbraw/zinc/11/51/75/384115175.db2.gz AJOAHIKYBSZIEV-UHFFFAOYSA-N 0 0 219.465 2.915 50 0 BFAARN CC(=O)c1ccc(F)c(CCCn2ccnc2)c1 ZINC000091624672 384135524 /nfs/dbraw/zinc/13/55/24/384135524.db2.gz VPHRBECNFCFYIJ-UHFFFAOYSA-N 0 0 246.285 2.858 50 0 BFAARN O=C(c1c[nH]c2ncccc12)N1CCCCCC1 ZINC000097938481 384149237 /nfs/dbraw/zinc/14/92/37/384149237.db2.gz YTQXQRCZHPXMTB-UHFFFAOYSA-N 0 0 243.310 2.579 50 0 BFAARN CN(Cc1ccccc1)c1cc(Cl)ncn1 ZINC000040422318 384151765 /nfs/dbraw/zinc/15/17/65/384151765.db2.gz ZLYMYVJFFLAFER-UHFFFAOYSA-N 0 0 233.702 2.766 50 0 BFAARN S=c1ncc(-c2nc3ccccc3o2)c[nH]1 ZINC000006536722 384158026 /nfs/dbraw/zinc/15/80/26/384158026.db2.gz OYZRHZIMFNNZFP-UHFFFAOYSA-N 0 0 229.264 2.574 50 0 BFAARN COC(=O)c1ccc2ncn(C(C)(C)C)c2c1 ZINC000040456643 384153348 /nfs/dbraw/zinc/15/33/48/384153348.db2.gz MMBVDJZSBYSXHM-UHFFFAOYSA-N 0 0 232.283 2.578 50 0 BFAARN O=C([C@@H]1CCCO1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000071907711 384153564 /nfs/dbraw/zinc/15/35/64/384153564.db2.gz NKBUXDBGEDFFBY-ZFWWWQNUSA-N 0 0 249.354 2.514 50 0 BFAARN FC(F)(F)Oc1ccc(Br)nc1 ZINC000040448308 384154991 /nfs/dbraw/zinc/15/49/91/384154991.db2.gz RKXYQQVLVNEAFB-UHFFFAOYSA-N 0 0 241.994 2.743 50 0 BFAARN COCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000071261631 384156686 /nfs/dbraw/zinc/15/66/86/384156686.db2.gz ZNEJHVSCPDYMRL-UHFFFAOYSA-N 0 0 238.287 2.575 50 0 BFAARN FC(F)(F)CCn1cc(Br)cn1 ZINC000070916018 384141329 /nfs/dbraw/zinc/14/13/29/384141329.db2.gz LQEUMDCDRJXBAC-UHFFFAOYSA-N 0 0 243.026 2.598 50 0 BFAARN COC(=O)Cc1ccc(C)c(C(F)(F)F)c1 ZINC000091692993 384141425 /nfs/dbraw/zinc/14/14/25/384141425.db2.gz QNYCASKFLHIXOY-UHFFFAOYSA-N 0 0 232.201 2.729 50 0 BFAARN CC1(C)COC(c2cc(F)c(F)cc2F)=N1 ZINC000071603290 384171936 /nfs/dbraw/zinc/17/19/36/384171936.db2.gz QNTYWFRSDUCLRD-UHFFFAOYSA-N 0 0 229.201 2.659 50 0 BFAARN Cc1noc(C)c1COc1ccccc1C=O ZINC000006658329 384159244 /nfs/dbraw/zinc/15/92/44/384159244.db2.gz GEUZGJRITYDUAK-UHFFFAOYSA-N 0 0 231.251 2.683 50 0 BFAARN Cc1ccnc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000097372792 384175985 /nfs/dbraw/zinc/17/59/85/384175985.db2.gz AANYGDVYYWPEBS-RYUDHWBXSA-N 0 0 245.326 2.654 50 0 BFAARN CO[C@H](CNC(=O)C(C)(C)C)c1ccccc1 ZINC000042751299 384163195 /nfs/dbraw/zinc/16/31/95/384163195.db2.gz YISUVOVYNVFLBY-GFCCVEGCSA-N 0 0 235.327 2.536 50 0 BFAARN C[C@@H]1CNc2ccc(Br)cc2O1 ZINC000062529555 384164342 /nfs/dbraw/zinc/16/43/42/384164342.db2.gz UOPSIXDWTXOYCJ-ZCFIWIBFSA-N 0 0 228.089 2.642 50 0 BFAARN CCCCSc1ccccc1C(N)=O ZINC000006703487 384165361 /nfs/dbraw/zinc/16/53/61/384165361.db2.gz DVMHGBZNPKHGRM-UHFFFAOYSA-N 0 0 209.314 2.678 50 0 BFAARN C[C@@H](NC(=O)C1CCCCC1)c1ccncc1 ZINC000006715518 384165702 /nfs/dbraw/zinc/16/57/02/384165702.db2.gz CFEDGJNLPIPWAQ-LLVKDONJSA-N 0 0 232.327 2.839 50 0 BFAARN CCc1ccccc1NC(=O)NC[C@@H]1CCCO1 ZINC000006725520 384165787 /nfs/dbraw/zinc/16/57/87/384165787.db2.gz DMRNERYPMNBQJT-LBPRGKRZSA-N 0 0 248.326 2.550 50 0 BFAARN COC(=O)c1cc2oc3ccccc3c2[nH]1 ZINC000006750306 384166547 /nfs/dbraw/zinc/16/65/47/384166547.db2.gz AOWSNWURKKOALC-UHFFFAOYSA-N 0 0 215.208 2.701 50 0 BFAARN CCc1ccc(CC(=O)NC(C)(C)C)cc1 ZINC000071376473 384166574 /nfs/dbraw/zinc/16/65/74/384166574.db2.gz OXDJCMVHUIOCGV-UHFFFAOYSA-N 0 0 219.328 2.706 50 0 BFAARN C[C@H](N[C@@H](C)[C@@H]1CC1(C)C)C(=O)OC(C)(C)C ZINC000225611603 384166730 /nfs/dbraw/zinc/16/67/30/384166730.db2.gz YRVKSCJVCHRCEH-DCAQKATOSA-N 0 0 241.375 2.741 50 0 BFAARN C[C@H](N[C@@H](C)[C@H]1CC1(C)C)C(=O)OC(C)(C)C ZINC000225611655 384167906 /nfs/dbraw/zinc/16/79/06/384167906.db2.gz YRVKSCJVCHRCEH-GARJFASQSA-N 0 0 241.375 2.741 50 0 BFAARN Cc1cc(C(F)(F)F)nc2cc(C3CC3)nn21 ZINC000002732333 384184685 /nfs/dbraw/zinc/18/46/85/384184685.db2.gz WXQMIOXIOUKUTJ-UHFFFAOYSA-N 0 0 241.216 2.934 50 0 BFAARN COC(=O)c1c(C)noc1-c1ccc(C)cc1 ZINC000071873612 384185172 /nfs/dbraw/zinc/18/51/72/384185172.db2.gz WPYTZLQBFQUQSK-UHFFFAOYSA-N 0 0 231.251 2.745 50 0 BFAARN FC(F)c1ccnc(Br)c1 ZINC000071773550 384177300 /nfs/dbraw/zinc/17/73/00/384177300.db2.gz IAFLELWFIHZCGT-UHFFFAOYSA-N 0 0 208.005 2.782 50 0 BFAARN CC(=O)O[C@@H]1CCCc2nc3ccccc3nc21 ZINC000071774006 384177417 /nfs/dbraw/zinc/17/74/17/384177417.db2.gz UNNACXNGRXPBCE-CYBMUJFWSA-N 0 0 242.278 2.570 50 0 BFAARN CC(C)C(=O)C(C)(C)C(=O)Nc1ccccc1 ZINC000071773918 384178389 /nfs/dbraw/zinc/17/83/89/384178389.db2.gz BUDQGYZSQRSBAR-UHFFFAOYSA-N 0 0 233.311 2.876 50 0 BFAARN CC(C)COC(=O)N[C@H](C)Cc1ccccc1 ZINC000071773240 384178481 /nfs/dbraw/zinc/17/84/81/384178481.db2.gz OHLJVSASEFVWRC-GFCCVEGCSA-N 0 0 235.327 3.000 50 0 BFAARN O=C(OCc1cccs1)c1ccnc(F)c1 ZINC000071790894 384180459 /nfs/dbraw/zinc/18/04/59/384180459.db2.gz QBJNWWULHUVRPY-UHFFFAOYSA-N 0 0 237.255 2.639 50 0 BFAARN CSCCCNC(=S)Nc1ccccc1 ZINC000007522702 384181698 /nfs/dbraw/zinc/18/16/98/384181698.db2.gz KRIODUFZQNRHAG-UHFFFAOYSA-N 0 0 240.397 2.726 50 0 BFAARN Cc1cc(C(=O)Nc2cccc(C)c2C)no1 ZINC000007609921 384181804 /nfs/dbraw/zinc/18/18/04/384181804.db2.gz APOOWTLLOPRIRP-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN CC(C)(C)OC(=O)NCCc1ccc(C=O)cc1 ZINC000072233469 384201761 /nfs/dbraw/zinc/20/17/61/384201761.db2.gz NCVPDGAQMNTPMP-UHFFFAOYSA-N 0 0 249.310 2.566 50 0 BFAARN Cc1ccc(O[C@H](C)C(=O)N2CCCC2)c(C)c1 ZINC000008498993 384203860 /nfs/dbraw/zinc/20/38/60/384203860.db2.gz WXCRYSDHIREVSX-CYBMUJFWSA-N 0 0 247.338 2.693 50 0 BFAARN CO[C@@H]1CCCC[C@@H]1OC(=O)C1CCCC1 ZINC000097404916 384204413 /nfs/dbraw/zinc/20/44/13/384204413.db2.gz RMNIRHDUCYXNFX-NEPJUHHUSA-N 0 0 226.316 2.677 50 0 BFAARN CC(C)c1cc(CNC(=O)OC(C)(C)C)on1 ZINC000008614812 384205789 /nfs/dbraw/zinc/20/57/89/384205789.db2.gz JBNXTGLEXMQKHD-UHFFFAOYSA-N 0 0 240.303 2.823 50 0 BFAARN Nc1cc(Br)c(F)cc1Cl ZINC000072314458 384206654 /nfs/dbraw/zinc/20/66/54/384206654.db2.gz JOPDUFGUFFLQSV-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN O=C([O-])C[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000032102950 384197436 /nfs/dbraw/zinc/19/74/36/384197436.db2.gz QBFSDXADVRZKNO-UHFFFAOYSA-N 0 0 247.338 2.906 50 0 BFAARN Cc1c(F)cc(C=O)cc1Br ZINC000072187454 384198671 /nfs/dbraw/zinc/19/86/71/384198671.db2.gz UOZMORAUZYBPSG-UHFFFAOYSA-N 0 0 217.037 2.709 50 0 BFAARN CCc1ccc(O[C@H](C)c2nnc(N)s2)cc1 ZINC000008338337 384199295 /nfs/dbraw/zinc/19/92/95/384199295.db2.gz YNXINTUMCSZUOG-MRVPVSSYSA-N 0 0 249.339 2.823 50 0 BFAARN N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000072194733 384199851 /nfs/dbraw/zinc/19/98/51/384199851.db2.gz FQBIIQNIZSLNJU-SSDOTTSWSA-N 0 0 211.133 2.527 50 0 BFAARN O=Cc1ccc(Br)c2cccnc12 ZINC000008700539 384209283 /nfs/dbraw/zinc/20/92/83/384209283.db2.gz NPLPBRIDHFAGPQ-UHFFFAOYSA-N 0 0 236.068 2.810 50 0 BFAARN Cc1n[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 ZINC000008740825 384216231 /nfs/dbraw/zinc/21/62/31/384216231.db2.gz JWLUFIXLPXZMMJ-QMMMGPOBSA-N 0 0 232.308 2.692 50 0 BFAARN CC(C)(C)OC(=O)N1C(=O)C[C@@H]1c1ccccc1 ZINC000072481904 384222937 /nfs/dbraw/zinc/22/29/37/384222937.db2.gz VIDZRGGALVURAK-LLVKDONJSA-N 0 0 247.294 2.895 50 0 BFAARN Cc1cc(C)c(OCC2CC2)c(C=O)c1 ZINC000042784112 384243740 /nfs/dbraw/zinc/24/37/40/384243740.db2.gz OCEJJOYUOHKFPX-UHFFFAOYSA-N 0 0 204.269 2.905 50 0 BFAARN CCc1ccc(OCC2CC2)c(C=O)c1 ZINC000042784142 384243993 /nfs/dbraw/zinc/24/39/93/384243993.db2.gz VHNPVLLGAMCLGH-UHFFFAOYSA-N 0 0 204.269 2.850 50 0 BFAARN Cc1ccc(N2CCC[C@H](OCC3CC3)C2)nc1 ZINC000408514187 384265464 /nfs/dbraw/zinc/26/54/64/384265464.db2.gz KMALSKFADODNQE-AWEZNQCLSA-N 0 0 246.354 2.785 50 0 BFAARN CCC[C@H](C)NC(=O)c1ccccc1C ZINC000000030354 384271393 /nfs/dbraw/zinc/27/13/93/384271393.db2.gz XABXIPCVAVAJRI-NSHDSACASA-N 0 0 205.301 2.913 50 0 BFAARN CCC[C@H](C)NC(=O)c1ccccc1F ZINC000000030366 384272345 /nfs/dbraw/zinc/27/23/45/384272345.db2.gz SHPVQOPBVAIDJD-VIFPVBQESA-N 0 0 209.264 2.744 50 0 BFAARN Cc1nsc(NCc2cccc(F)c2)n1 ZINC000083647953 384315517 /nfs/dbraw/zinc/31/55/17/384315517.db2.gz IEHYFYHTFNSBJI-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN CCCCNc1nc(C)c(C(C)=O)s1 ZINC000012394862 384315660 /nfs/dbraw/zinc/31/56/60/384315660.db2.gz XOZGWABWOPPYBF-UHFFFAOYSA-N 0 0 212.318 2.866 50 0 BFAARN CC(=O)c1sc(-c2ccncc2)nc1C ZINC000012396717 384317677 /nfs/dbraw/zinc/31/76/77/384317677.db2.gz CLSVDNCZAWBUDP-UHFFFAOYSA-N 0 0 218.281 2.716 50 0 BFAARN CC(C)(C(=O)N1CCCCC1)C(C)(F)F ZINC000335391313 384282653 /nfs/dbraw/zinc/28/26/53/384282653.db2.gz NHEHZEGVYFCIMI-UHFFFAOYSA-N 0 0 219.275 2.680 50 0 BFAARN CC(=O)c1sc(N)nc1-c1ccccc1 ZINC000011535902 384289597 /nfs/dbraw/zinc/28/95/97/384289597.db2.gz PXKPGKJPVSSNDP-UHFFFAOYSA-N 0 0 218.281 2.595 50 0 BFAARN S=C1N=NC(c2ccccc2)N1C1CC1 ZINC000011692611 384294156 /nfs/dbraw/zinc/29/41/56/384294156.db2.gz AZGAXEFNCACYSU-UHFFFAOYSA-N 0 0 217.297 2.569 50 0 BFAARN CCc1cccc2cc(CO)c(Cl)nc21 ZINC000011727623 384294478 /nfs/dbraw/zinc/29/44/78/384294478.db2.gz QRABYCMGNNSUCD-UHFFFAOYSA-N 0 0 221.687 2.943 50 0 BFAARN FC(F)(F)c1nc(-c2cccnc2Cl)no1 ZINC000043828200 384302821 /nfs/dbraw/zinc/30/28/21/384302821.db2.gz PRBWYBRXXRCGDO-UHFFFAOYSA-N 0 0 249.579 2.804 50 0 BFAARN Fc1ccc(NCc2cccc3c[nH]nc32)nc1 ZINC000097045329 384302816 /nfs/dbraw/zinc/30/28/16/384302816.db2.gz IUQMZWCPGGVMPW-UHFFFAOYSA-N 0 0 242.257 2.709 50 0 BFAARN Nc1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC000043830252 384303834 /nfs/dbraw/zinc/30/38/34/384303834.db2.gz LSVVDJZSJUIFHI-UHFFFAOYSA-N 0 0 237.262 2.986 50 0 BFAARN Cc1ccc(C(=O)N[C@H](C)C2CC2)s1 ZINC000012903912 384340077 /nfs/dbraw/zinc/34/00/77/384340077.db2.gz REUXOIYENRMTCD-MRVPVSSYSA-N 0 0 209.314 2.585 50 0 BFAARN Cc1ccc(C(=O)N[C@@H](C)C2CC2)c(C)c1 ZINC000012906926 384340746 /nfs/dbraw/zinc/34/07/46/384340746.db2.gz DPOZHCWKMHTTBL-NSHDSACASA-N 0 0 217.312 2.832 50 0 BFAARN C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C1CC1 ZINC000012976871 384343418 /nfs/dbraw/zinc/34/34/18/384343418.db2.gz YXLWMYLOOIVHFV-SNVBAGLBSA-N 0 0 242.322 2.625 50 0 BFAARN O=C(c1ccoc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000095401747 384373959 /nfs/dbraw/zinc/37/39/59/384373959.db2.gz WDWSATKCEFDDAF-PWSUYJOCSA-N 0 0 219.284 2.684 50 0 BFAARN O=C(c1ccoc1)N1CCC[C@@H]2CCC[C@H]21 ZINC000095401750 384373980 /nfs/dbraw/zinc/37/39/80/384373980.db2.gz WDWSATKCEFDDAF-CMPLNLGQSA-N 0 0 219.284 2.684 50 0 BFAARN Cc1noc(C)c1C(=O)N[C@H]1CCCC[C@H]1C ZINC000013329519 384355104 /nfs/dbraw/zinc/35/51/04/384355104.db2.gz CXIPWBPNSSYTOB-KCJUWKMLSA-N 0 0 236.315 2.600 50 0 BFAARN Cc1cc(CN2CCS[C@H](C(C)C)C2)no1 ZINC000076066841 384356257 /nfs/dbraw/zinc/35/62/57/384356257.db2.gz QSDPVGURJQAIAG-LBPRGKRZSA-N 0 0 240.372 2.556 50 0 BFAARN CCCCNC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000044817867 384358811 /nfs/dbraw/zinc/35/88/11/384358811.db2.gz PMFHLQCLILRIOO-SNVBAGLBSA-N 0 0 239.290 2.509 50 0 BFAARN Cc1c(N)n[nH]c1-c1ccc(Cl)cc1 ZINC000013483594 384363698 /nfs/dbraw/zinc/36/36/98/384363698.db2.gz CFRKMAJPPYXCPT-UHFFFAOYSA-N 0 0 207.664 2.621 50 0 BFAARN CN(C)CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000095190920 384365253 /nfs/dbraw/zinc/36/52/53/384365253.db2.gz NYSHFAAKOUWIBE-UHFFFAOYSA-N 0 0 247.169 2.645 50 0 BFAARN O=c1[nH]c2cc(Br)cc(Cl)c2o1 ZINC000095202004 384367059 /nfs/dbraw/zinc/36/70/59/384367059.db2.gz PXVJXLQVOGNYMR-UHFFFAOYSA-N 0 0 248.463 2.537 50 0 BFAARN COC(=O)c1cc2nccc(Cl)c2s1 ZINC000095742813 384393439 /nfs/dbraw/zinc/39/34/39/384393439.db2.gz WYMRMHKAXXQOMO-UHFFFAOYSA-N 0 0 227.672 2.736 50 0 BFAARN Nc1nc2c(s1)CCc1sccc1-2 ZINC000061325660 384395410 /nfs/dbraw/zinc/39/54/10/384395410.db2.gz OJUDYDLEOMQXLM-UHFFFAOYSA-N 0 0 208.311 2.552 50 0 BFAARN CCOCCOc1ccc(N)cc1C(F)(F)F ZINC000014630166 384398843 /nfs/dbraw/zinc/39/88/43/384398843.db2.gz KLMOJKBBTOUNPZ-UHFFFAOYSA-N 0 0 249.232 2.703 50 0 BFAARN CCCCNC(=O)CCc1ccccc1 ZINC000001547335 384403232 /nfs/dbraw/zinc/40/32/32/384403232.db2.gz UZTVEZLZUTUCBJ-UHFFFAOYSA-N 0 0 205.301 2.536 50 0 BFAARN O=C(/C=C/c1ccccc1)Oc1cccnc1 ZINC000000043539 384411431 /nfs/dbraw/zinc/41/14/31/384411431.db2.gz RWSHZOMUJARMSN-CMDGGOBGSA-N 0 0 225.247 2.700 50 0 biogenic BFAARN CC[C@H](NCc1cc[nH]n1)c1cccc(F)c1 ZINC000166543649 384414659 /nfs/dbraw/zinc/41/46/59/384414659.db2.gz XJQWSDCHIBNTNO-ZDUSSCGKSA-N 0 0 233.290 2.790 50 0 BFAARN O=Cc1ccccc1CO[C@@H]1CCCCO1 ZINC000096024992 384421397 /nfs/dbraw/zinc/42/13/97/384421397.db2.gz FEGNADMYWSPCJP-CYBMUJFWSA-N 0 0 220.268 2.542 50 0 BFAARN O=Cc1ccccc1CO[C@H]1CCCCO1 ZINC000096024994 384421429 /nfs/dbraw/zinc/42/14/29/384421429.db2.gz FEGNADMYWSPCJP-ZDUSSCGKSA-N 0 0 220.268 2.542 50 0 BFAARN CCCCN1c2ccc(C)cc2CC1=O ZINC000096026247 384421729 /nfs/dbraw/zinc/42/17/29/384421729.db2.gz NHPKFXYGUZGQLC-UHFFFAOYSA-N 0 0 203.285 2.684 50 0 BFAARN CCCCC(=O)Nc1cc(F)ccc1O ZINC000072313291 384423125 /nfs/dbraw/zinc/42/31/25/384423125.db2.gz WSNZIMNZAHBNCD-UHFFFAOYSA-N 0 0 211.236 2.660 50 0 BFAARN Cc1ocnc1CNC(=O)C1CCCCCC1 ZINC000095450903 384377236 /nfs/dbraw/zinc/37/72/36/384377236.db2.gz VJPKJWYPWUZRQR-UHFFFAOYSA-N 0 0 236.315 2.570 50 0 BFAARN c1csc(CSC2CCOCC2)n1 ZINC000095439488 384378122 /nfs/dbraw/zinc/37/81/22/384378122.db2.gz OWHOQACOURAJRI-UHFFFAOYSA-N 0 0 215.343 2.555 50 0 BFAARN Nc1nccc2cccc(Br)c12 ZINC000095616320 384382335 /nfs/dbraw/zinc/38/23/35/384382335.db2.gz VEHRKMAFAWPXEB-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN CC(=O)c1cc(Br)c(C)cc1O ZINC000095627630 384382659 /nfs/dbraw/zinc/38/26/59/384382659.db2.gz ZBVIRUUBEJLZNE-UHFFFAOYSA-N 0 0 229.073 2.666 50 0 BFAARN C[C@@H]1CC(C)(C)N(C=O)c2ccccc21 ZINC000000270698 384386451 /nfs/dbraw/zinc/38/64/51/384386451.db2.gz VYMRKPSUCXMRGB-SNVBAGLBSA-N 0 0 203.285 2.935 50 0 BFAARN O=C(OCc1ccccc1)N1CCC=C(F)C1 ZINC000095644186 384387967 /nfs/dbraw/zinc/38/79/67/384387967.db2.gz SEYQHGLGRWYGFQ-UHFFFAOYSA-N 0 0 235.258 2.882 50 0 BFAARN CCS(=O)(=O)Nc1c(C)cc(Cl)cc1C ZINC000097164241 384388849 /nfs/dbraw/zinc/38/88/49/384388849.db2.gz DVTDMOZCEBXRFV-UHFFFAOYSA-N 0 0 247.747 2.718 50 0 BFAARN COC(=O)c1cc(C)cc(C(F)(F)F)c1 ZINC000047202438 384444713 /nfs/dbraw/zinc/44/47/13/384444713.db2.gz ZJRWZTJHPBADAP-UHFFFAOYSA-N 0 0 218.174 2.800 50 0 BFAARN Cc1cc(C)cc(NC(=O)Nc2cnccn2)c1 ZINC000015952150 384447829 /nfs/dbraw/zinc/44/78/29/384447829.db2.gz XAOVVQJTDOWZKO-UHFFFAOYSA-N 0 0 242.282 2.737 50 0 BFAARN C[C@@H](NC(=O)[C@H]1CC1(C)C)c1ccccc1 ZINC000000050111 384455039 /nfs/dbraw/zinc/45/50/39/384455039.db2.gz WXZNHQPOEMNFDV-ZYHUDNBSSA-N 0 0 217.312 2.910 50 0 BFAARN CCc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000000486827 384456429 /nfs/dbraw/zinc/45/64/29/384456429.db2.gz NWXWQKFUSIRDFR-UHFFFAOYSA-N 0 0 247.338 2.640 50 0 BFAARN CC(C)Cn1nccc1N[C@H]1CCCSC1 ZINC000134824482 384427861 /nfs/dbraw/zinc/42/78/61/384427861.db2.gz UHOIPULLMVWJQU-NSHDSACASA-N 0 0 239.388 2.847 50 0 BFAARN Nc1oncc1-c1ccc(Br)cc1 ZINC000015442711 384430478 /nfs/dbraw/zinc/43/04/78/384430478.db2.gz DHBUAOKIJSWCEB-UHFFFAOYSA-N 0 0 239.072 2.686 50 0 BFAARN C[C@@H](NC(=O)c1cccc2cccnc21)C1CC1 ZINC000015480540 384430874 /nfs/dbraw/zinc/43/08/74/384430874.db2.gz OERHGFLAALXICW-SNVBAGLBSA-N 0 0 240.306 2.763 50 0 BFAARN c1cc2cc(C[NH2+]Cc3cccnc3)ccc2[nH]1 ZINC000015424193 384432520 /nfs/dbraw/zinc/43/25/20/384432520.db2.gz USTRMSVAVRFCNP-UHFFFAOYSA-N 0 0 237.306 2.853 50 0 BFAARN C[C@@H](NC(=O)c1ccoc1)c1ccccc1 ZINC000015554294 384435727 /nfs/dbraw/zinc/43/57/27/384435727.db2.gz GLLMNJOQUNIXNQ-SNVBAGLBSA-N 0 0 215.252 2.771 50 0 BFAARN COC(=O)c1c(Cl)ccc(F)c1Cl ZINC000047202322 384443663 /nfs/dbraw/zinc/44/36/63/384443663.db2.gz AWWDMXMLVCNBJE-UHFFFAOYSA-N 0 0 223.030 2.919 50 0 BFAARN Cc1cc(C(=O)Cn2ccnc2C(C)C)c(C)[nH]1 ZINC000097236193 384461234 /nfs/dbraw/zinc/46/12/34/384461234.db2.gz INDWZWZOBCUNSU-UHFFFAOYSA-N 0 0 245.326 2.834 50 0 BFAARN Cc1ccc(C)c(OCCCn2ccnc2)c1 ZINC000016663542 384464613 /nfs/dbraw/zinc/46/46/13/384464613.db2.gz HHPOMGUEFHJYRT-UHFFFAOYSA-N 0 0 230.311 2.969 50 0 BFAARN Cc1noc(/C=C/c2ccc(F)cc2)c1N ZINC000047844051 384469213 /nfs/dbraw/zinc/46/92/13/384469213.db2.gz UMNAPZDTRIIIJG-QPJJXVBHSA-N 0 0 218.231 2.875 50 0 BFAARN Cc1cc(C)cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000017887161 384495035 /nfs/dbraw/zinc/49/50/35/384495035.db2.gz FLSVENHLGXMUBV-BETUJISGSA-N 0 0 247.338 2.553 50 0 BFAARN CCN(C(C)=O)c1ccc(Cl)c(F)c1 ZINC000252509071 384500310 /nfs/dbraw/zinc/50/03/10/384500310.db2.gz YCBLEHKRFFCVDE-UHFFFAOYSA-N 0 0 215.655 2.852 50 0 BFAARN CCC[C@H](C)N(C)C(=O)Nc1nccs1 ZINC000043160043 384511855 /nfs/dbraw/zinc/51/18/55/384511855.db2.gz JVBQLIIMSQKLDF-QMMMGPOBSA-N 0 0 227.333 2.795 50 0 BFAARN CCOCCOC(=O)Nc1ccc(C)cc1 ZINC000002172144 384519526 /nfs/dbraw/zinc/51/95/26/384519526.db2.gz QMIOFDKIBZZJLH-UHFFFAOYSA-N 0 0 223.272 2.580 50 0 BFAARN Cc1n[nH]c(C)c1-c1nc(-c2cccs2)no1 ZINC000019882765 384548535 /nfs/dbraw/zinc/54/85/35/384548535.db2.gz QODRITQLGAEAKX-UHFFFAOYSA-N 0 0 246.295 2.805 50 0 BFAARN CC(C)(C)OC(=O)Nc1c(F)ccc(N)c1F ZINC000080441699 384558735 /nfs/dbraw/zinc/55/87/35/384558735.db2.gz MFGOJIYYBUJTCX-UHFFFAOYSA-N 0 0 244.241 2.894 50 0 BFAARN FC(F)(F)c1ccnc(N2CCCC2)c1 ZINC000080761568 384577574 /nfs/dbraw/zinc/57/75/74/384577574.db2.gz UGHCMLSCHXEAKI-UHFFFAOYSA-N 0 0 216.206 2.701 50 0 BFAARN CO[C@H]1CCC[C@@H](OC(=O)CC(C)(C)C)C1 ZINC000097043843 384578483 /nfs/dbraw/zinc/57/84/83/384578483.db2.gz IHIGGSOXCMITHM-WDEREUQCSA-N 0 0 228.332 2.923 50 0 BFAARN COC(=O)C[C@H](c1cccc(O)c1)C(C)C ZINC000098213341 384603871 /nfs/dbraw/zinc/60/38/71/384603871.db2.gz LPNDMJQBOFLBRG-LBPRGKRZSA-N 0 0 222.284 2.695 50 0 BFAARN COc1cc(N)c(Cl)c(C(F)(F)F)c1 ZINC000098211550 384604831 /nfs/dbraw/zinc/60/48/31/384604831.db2.gz MZJKLZLTMWEULN-UHFFFAOYSA-N 0 0 225.597 2.950 50 0 BFAARN O=Cc1ccccc1OCc1cscn1 ZINC000020254036 384607559 /nfs/dbraw/zinc/60/75/59/384607559.db2.gz UZQZUWJTHSCYGV-UHFFFAOYSA-N 0 0 219.265 2.535 50 0 BFAARN O=C1CC(=O)CC(c2ccc(Cl)cc2)C1 ZINC000100014341 384608626 /nfs/dbraw/zinc/60/86/26/384608626.db2.gz MAFYKXZPGMHTIA-UHFFFAOYSA-N 0 0 222.671 2.746 50 0 BFAARN CSC[C@H](C)C(=O)NC/C=C/c1ccccc1 ZINC000071902893 384625685 /nfs/dbraw/zinc/62/56/85/384625685.db2.gz ODSDBFBXTHXLPS-LZGFCCKTSA-N 0 0 249.379 2.815 50 0 BFAARN Cc1csc(NC(=O)Cc2ccccc2C)n1 ZINC000006725892 384627035 /nfs/dbraw/zinc/62/70/35/384627035.db2.gz JOBZHRGUNRVZQV-UHFFFAOYSA-N 0 0 246.335 2.941 50 0 BFAARN Nc1c[nH]c2c1cccc2Br ZINC000082373798 384674533 /nfs/dbraw/zinc/67/45/33/384674533.db2.gz SQXBVECSSBKUPD-UHFFFAOYSA-N 0 0 211.062 2.513 50 0 BFAARN C[C@@H]1Oc2c(ccc(Cl)c2Cl)C1=O ZINC000100622017 384649752 /nfs/dbraw/zinc/64/97/52/384649752.db2.gz OLJHNKHHGCVVDO-BYPYZUCNSA-N 0 0 217.051 2.957 50 0 BFAARN CCCCNC(=S)NC1CCCCC1 ZINC000002998499 384678292 /nfs/dbraw/zinc/67/82/92/384678292.db2.gz JDJYMJPBWSMDGF-UHFFFAOYSA-N 0 0 214.378 2.583 50 0 BFAARN Cc1nc(C2([NH2+]CC3CCCC3)CCCC2)no1 ZINC000075827812 384694633 /nfs/dbraw/zinc/69/46/33/384694633.db2.gz BMHXGMFWQOBLDM-UHFFFAOYSA-N 0 0 249.358 2.927 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(C)c(F)c2)on1 ZINC000014084405 384699514 /nfs/dbraw/zinc/69/95/14/384699514.db2.gz FMEXKWCENMFWBB-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN Cc1cc(C(=O)Nc2ccncc2)cs1 ZINC000016604005 384702555 /nfs/dbraw/zinc/70/25/55/384702555.db2.gz YOXNNHVLIIXSME-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000072099181 384727485 /nfs/dbraw/zinc/72/74/85/384727485.db2.gz JNQYYAJFCMMSRZ-UHFFFAOYSA-N 0 0 245.351 2.926 50 0 BFAARN Clc1cc2ccccc2c(N2CCOCC2)n1 ZINC000082753502 384712366 /nfs/dbraw/zinc/71/23/66/384712366.db2.gz IIQWLASQZORSAL-UHFFFAOYSA-N 0 0 248.713 2.725 50 0 BFAARN O=Cc1cnc(Cc2ccc(Cl)cc2)nc1 ZINC000022124199 384733820 /nfs/dbraw/zinc/73/38/20/384733820.db2.gz HFQGEGBYSZNSRW-UHFFFAOYSA-N 0 0 232.670 2.533 50 0 BFAARN CC(C)CC(C)(C)CNC(=O)[C@H]1CCCOC1 ZINC000081617642 384739249 /nfs/dbraw/zinc/73/92/49/384739249.db2.gz UPRRDBIFGJXPFG-LBPRGKRZSA-N 0 0 241.375 2.602 50 0 BFAARN CCCCN1c2ccccc2NC[C@@H](C)C1=O ZINC000082087114 384740880 /nfs/dbraw/zinc/74/08/80/384740880.db2.gz RDWTYRUKLWCMGT-LLVKDONJSA-N 0 0 232.327 2.881 50 0 BFAARN Cc1ccc(NCC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000058374121 384750187 /nfs/dbraw/zinc/75/01/87/384750187.db2.gz IQKLZUHKBDFBHF-CYBMUJFWSA-N 0 0 246.354 2.665 50 0 BFAARN CC(C)CCC[C@@H](C)NC(=O)NC1CC1 ZINC000084510292 384759149 /nfs/dbraw/zinc/75/91/49/384759149.db2.gz YNASAVKMPJSPLE-SNVBAGLBSA-N 0 0 212.337 2.663 50 0 BFAARN Cc1nnc(CN2CCC[C@@H]2c2ccsc2)o1 ZINC000048253145 384760639 /nfs/dbraw/zinc/76/06/39/384760639.db2.gz YFAMTESQNGGCNB-LLVKDONJSA-N 0 0 249.339 2.777 50 0 BFAARN C[C@H](Cc1ccoc1)NC(=O)/C=C/c1ccoc1 ZINC000206718896 384780265 /nfs/dbraw/zinc/78/02/65/384780265.db2.gz FVESPFABUYEYHE-KXMPLOMGSA-N 0 0 245.278 2.633 50 0 BFAARN CCN(C)C(=O)NC[C@H](C)Cc1cccs1 ZINC000084760748 384766923 /nfs/dbraw/zinc/76/69/23/384766923.db2.gz MNQRQTXUELGVOF-SNVBAGLBSA-N 0 0 240.372 2.588 50 0 BFAARN Nc1ccc(C2(C(F)(F)F)CC2)cc1 ZINC000306515616 384770584 /nfs/dbraw/zinc/77/05/84/384770584.db2.gz DUADHNUIXCGJCP-UHFFFAOYSA-N 0 0 201.191 2.863 50 0 BFAARN Nc1ccccc1Cc1nc2ccccc2[nH]1 ZINC000053200451 384772468 /nfs/dbraw/zinc/77/24/68/384772468.db2.gz PAHMGEWDYDMVLE-UHFFFAOYSA-N 0 0 223.279 2.736 50 0 BFAARN CO[C@@H]1C[C@H](c2ccccc2)CCC1=O ZINC000146768658 384818666 /nfs/dbraw/zinc/81/86/66/384818666.db2.gz BDWYLSNDWRACPH-DGCLKSJQSA-N 0 0 204.269 2.538 50 0 BFAARN CCCCCS(=O)(=O)C1CCCCC1 ZINC000191049518 384821597 /nfs/dbraw/zinc/82/15/97/384821597.db2.gz WNGCHDHVSRURJH-UHFFFAOYSA-N 0 0 218.362 2.924 50 0 BFAARN COc1cc(C)cc(OC)c1-c1nccnc1C ZINC000426477148 384830826 /nfs/dbraw/zinc/83/08/26/384830826.db2.gz CBJBQVQRLACREX-UHFFFAOYSA-N 0 0 244.294 2.778 50 0 BFAARN Clc1cnc(N[C@H]2CC=CCC2)nc1 ZINC000093538251 384796958 /nfs/dbraw/zinc/79/69/58/384796958.db2.gz MLSYPSFDEYUWLK-VIFPVBQESA-N 0 0 209.680 2.651 50 0 BFAARN CCOc1ccc(N[C@H](C)c2nc(C)no2)cc1 ZINC000069877987 384801473 /nfs/dbraw/zinc/80/14/73/384801473.db2.gz BJULZTXXJGOPQO-SECBINFHSA-N 0 0 247.298 2.950 50 0 BFAARN C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCC(=O)[O-] ZINC000175603915 384804196 /nfs/dbraw/zinc/80/41/96/384804196.db2.gz UHKGQOAKWZRNDI-TZMCWYRMSA-N 0 0 247.338 2.729 50 0 BFAARN Cc1cc(C(=O)N[C@@H](C)c2ccccc2C)no1 ZINC000023679596 384805295 /nfs/dbraw/zinc/80/52/95/384805295.db2.gz ZTIJCJNLMOVWAH-NSHDSACASA-N 0 0 244.294 2.782 50 0 BFAARN CN(Cc1cccc(Cl)c1)C(=O)NC1CC1 ZINC000026518607 384877823 /nfs/dbraw/zinc/87/78/23/384877823.db2.gz WBXWEVSIUCWNNE-UHFFFAOYSA-N 0 0 238.718 2.644 50 0 BFAARN Cc1cc(C(=O)Nc2ccccc2Cl)no1 ZINC000003937605 384887664 /nfs/dbraw/zinc/88/76/64/384887664.db2.gz JMXWUJNZDUDGIE-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN O=C(c1cscn1)N1CCC[C@@H]2CCC[C@H]21 ZINC000087772038 384845364 /nfs/dbraw/zinc/84/53/64/384845364.db2.gz HPPJLIVZOORYBH-GXSJLCMTSA-N 0 0 236.340 2.548 50 0 BFAARN C[C@H](NC(=O)c1ccccc1O)c1cccs1 ZINC000025314049 384845846 /nfs/dbraw/zinc/84/58/46/384845846.db2.gz SHOXWVNNNBKLPW-VIFPVBQESA-N 0 0 247.319 2.945 50 0 BFAARN O=C(c1cscn1)N1CCC[C@H]2CCC[C@H]21 ZINC000087772036 384848010 /nfs/dbraw/zinc/84/80/10/384848010.db2.gz HPPJLIVZOORYBH-MWLCHTKSSA-N 0 0 236.340 2.548 50 0 BFAARN CCc1cc2c([nH]c(-c3ccoc3)nc2=O)s1 ZINC000083820473 384901628 /nfs/dbraw/zinc/90/16/28/384901628.db2.gz WESMFTUKYUALDR-UHFFFAOYSA-N 0 0 246.291 2.807 50 0 BFAARN C(=C\c1ccncn1)\c1ccc2c(c1)CCO2 ZINC000255623525 384901996 /nfs/dbraw/zinc/90/19/96/384901996.db2.gz YKEDFJXZKWXCFR-IWQZZHSRSA-N 0 0 224.263 2.582 50 0 BFAARN Cc1ccc2c(c1)[C@@H](Nc1nccc(C)n1)CO2 ZINC000095418487 384903674 /nfs/dbraw/zinc/90/36/74/384903674.db2.gz DAJAZBSKZXFANL-LBPRGKRZSA-N 0 0 241.294 2.639 50 0 BFAARN Cc1ccnc(NC(=O)c2cc(Cl)ccn2)c1 ZINC000027993862 384922339 /nfs/dbraw/zinc/92/23/39/384922339.db2.gz CMPJCMNAATZJDH-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccsc1C=O ZINC000086029359 384980721 /nfs/dbraw/zinc/98/07/21/384980721.db2.gz WFKLWNDDNOQFKO-UHFFFAOYSA-N 0 0 227.285 2.908 50 0 BFAARN CC(C)C(=O)Nc1ccccc1Cn1ccnc1 ZINC000058049605 384984042 /nfs/dbraw/zinc/98/40/42/384984042.db2.gz JNDRGRLLRBTYTJ-UHFFFAOYSA-N 0 0 243.310 2.526 50 0 BFAARN Cc1cc(C(=O)Nc2cnn(C(C)C)c2)c(C)o1 ZINC000555955772 384984814 /nfs/dbraw/zinc/98/48/14/384984814.db2.gz IRJXKTPAJDYUIX-UHFFFAOYSA-N 0 0 247.298 2.926 50 0 BFAARN [NH3+][C@H](CCC(=O)[O-])Cc1cccc2ccccc21 ZINC000061893398 384990849 /nfs/dbraw/zinc/99/08/49/384990849.db2.gz VYLSATSPQDKEPW-CYBMUJFWSA-N 0 0 243.306 2.574 50 0 BFAARN Cc1cccc(CCNC(=O)C2CCCC2)c1 ZINC000058329595 384996278 /nfs/dbraw/zinc/99/62/78/384996278.db2.gz ZWXPZCDVGUIMIN-UHFFFAOYSA-N 0 0 231.339 2.844 50 0 BFAARN CC[C@H]1CCCCN1C(=O)c1scnc1C ZINC000058295579 384996789 /nfs/dbraw/zinc/99/67/89/384996789.db2.gz QOWHPLALTSJWGY-JTQLQIEISA-N 0 0 238.356 2.856 50 0 BFAARN CCCC(=O)Nc1n[nH]c(-c2ccncc2)c1C ZINC000058341986 385000796 /nfs/dbraw/zinc/00/07/96/385000796.db2.gz BUYAXRYRTPINNU-UHFFFAOYSA-N 0 0 244.298 2.519 50 0 BFAARN c1cnn(CCCNc2nc3ccccc3o2)c1 ZINC000030517498 385017378 /nfs/dbraw/zinc/01/73/78/385017378.db2.gz OXXXQNAHWDSQNQ-UHFFFAOYSA-N 0 0 242.282 2.527 50 0 BFAARN Cc1ccc(NC(=O)C2CC2)c2cccnc12 ZINC000031091790 385067329 /nfs/dbraw/zinc/06/73/29/385067329.db2.gz WTWQFRPMHGXZBY-UHFFFAOYSA-N 0 0 226.279 2.892 50 0 BFAARN CC(C)(C)OC(=O)NCCNc1ccccc1 ZINC000060117119 385068458 /nfs/dbraw/zinc/06/84/58/385068458.db2.gz XBWZGBZWELKIHV-UHFFFAOYSA-N 0 0 236.315 2.623 50 0 BFAARN CCC(=O)NC(=S)Nc1ccc(C)c(C)c1 ZINC000000503162 385110767 /nfs/dbraw/zinc/11/07/67/385110767.db2.gz WAQIHHLYWRJVAI-UHFFFAOYSA-N 0 0 236.340 2.526 50 0 BFAARN Nc1ccc(-c2nccn2C(F)F)cc1 ZINC000061681054 385132306 /nfs/dbraw/zinc/13/23/06/385132306.db2.gz IVFVIYREGQJGGV-UHFFFAOYSA-N 0 0 209.199 2.527 50 0 BFAARN CCOCc1ccc(Br)cc1 ZINC000032208746 385135395 /nfs/dbraw/zinc/13/53/95/385135395.db2.gz GHMBQMRBQQURAS-UHFFFAOYSA-N 0 0 215.090 2.986 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)C2CCCC2)o1 ZINC000032721743 385181876 /nfs/dbraw/zinc/18/18/76/385181876.db2.gz BHLUDVSDPKHETM-SNVBAGLBSA-N 0 0 221.300 2.955 50 0 BFAARN CC(C)C(=O)NCCc1c(F)cccc1Cl ZINC000096473195 385187255 /nfs/dbraw/zinc/18/72/55/385187255.db2.gz BBTYCQBVVPEGBP-UHFFFAOYSA-N 0 0 243.709 2.794 50 0 BFAARN c1cnc(N[C@@H]2CCc3ccccc32)nc1 ZINC000012981291 385152552 /nfs/dbraw/zinc/15/25/52/385152552.db2.gz KVTNCSWPXHVLLC-GFCCVEGCSA-N 0 0 211.268 2.576 50 0 BFAARN CC(=O)N(C)c1ccc(OC(=O)CC(C)C)cc1 ZINC000096431553 385167287 /nfs/dbraw/zinc/16/72/87/385167287.db2.gz BPSGCECDANAVKA-UHFFFAOYSA-N 0 0 249.310 2.621 50 0 BFAARN CC(C)[C@@H]1OCC[C@H]1CNC(=O)OC(C)(C)C ZINC000096454042 385175265 /nfs/dbraw/zinc/17/52/65/385175265.db2.gz VYPPPEXWROLDMF-QWRGUYRKSA-N 0 0 243.347 2.572 50 0 BFAARN CC(C)[C@H]1OCC[C@@H]1CNc1ccccn1 ZINC000096453808 385175927 /nfs/dbraw/zinc/17/59/27/385175927.db2.gz XVCYMPDDGVYKPL-DGCLKSJQSA-N 0 0 220.316 2.555 50 0 BFAARN C[C@H](CO)Nc1cc2ccccc2c(Cl)n1 ZINC000096452674 385176108 /nfs/dbraw/zinc/17/61/08/385176108.db2.gz ZONBORXAZKRKDW-MRVPVSSYSA-N 0 0 236.702 2.681 50 0 BFAARN Cc1ccc(S[C@H](C)C(=O)N(C)C)c(C)c1 ZINC000032741646 385180428 /nfs/dbraw/zinc/18/04/28/385180428.db2.gz XXGKXSZOFXPOAH-LLVKDONJSA-N 0 0 237.368 2.872 50 0 BFAARN FC(F)(Cl)C(F)(F)Br ZINC000063146293 385211028 /nfs/dbraw/zinc/21/10/28/385211028.db2.gz SXIPFAJOOHZHIQ-UHFFFAOYSA-N 0 0 215.371 2.806 50 0 BFAARN O=C([O-])C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000089813482 385211181 /nfs/dbraw/zinc/21/11/81/385211181.db2.gz QXKBEWDIDQYACI-LLVKDONJSA-N 0 0 239.702 2.562 50 0 BFAARN Cc1ccc(O[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000008041760 385232079 /nfs/dbraw/zinc/23/20/79/385232079.db2.gz ZMBROFGXUBZSJJ-GFCCVEGCSA-N 0 0 249.354 2.985 50 0 BFAARN Nc1ccc2nc(Br)sc2c1 ZINC000064033692 385244582 /nfs/dbraw/zinc/24/45/82/385244582.db2.gz PKRUNKROSSHAGG-UHFFFAOYSA-N 0 0 229.102 2.641 50 0 BFAARN Cc1ccc2cc(-c3cc[nH]n3)ccc2n1 ZINC000065409876 385305860 /nfs/dbraw/zinc/30/58/60/385305860.db2.gz VDEIXWBHHLRYDA-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN CC1(C)C[C@]1(Cn1cnnc1)c1ccccc1 ZINC000065497098 385317678 /nfs/dbraw/zinc/31/76/78/385317678.db2.gz AHNBCIRMTJUDMN-AWEZNQCLSA-N 0 0 227.311 2.646 50 0 BFAARN Cc1cc(C(=O)Nc2ccccn2)cs1 ZINC000001053793 385280166 /nfs/dbraw/zinc/28/01/66/385280166.db2.gz HKBWMXIGJSJCKW-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN CCOP(=O)(CN(CC)CC)OCC ZINC000019300312 385283022 /nfs/dbraw/zinc/28/30/22/385283022.db2.gz GMMMKWMWVWJBNW-UHFFFAOYSA-N 0 0 223.253 2.552 50 0 BFAARN COC(=O)c1[nH]c2c(cccc2C)c1C ZINC000034541556 385284794 /nfs/dbraw/zinc/28/47/94/385284794.db2.gz RAGWOSNMOATCDR-UHFFFAOYSA-N 0 0 203.241 2.571 50 0 BFAARN O=c1[nH]c(-c2cccc(Cl)c2)cs1 ZINC000034669822 385289695 /nfs/dbraw/zinc/28/96/95/385289695.db2.gz JSSIKAYQGBLIBU-UHFFFAOYSA-N 0 0 211.673 2.757 50 0 BFAARN FC(F)(F)c1csc(N2CCCC2)n1 ZINC000098020325 385363160 /nfs/dbraw/zinc/36/31/60/385363160.db2.gz CQJCFNYMINHYSH-UHFFFAOYSA-N 0 0 222.235 2.762 50 0 BFAARN O=C1OCC[C@H]1Sc1ccc2ccccc2n1 ZINC000005627334 385628830 /nfs/dbraw/zinc/62/88/30/385628830.db2.gz AIFDNMGBVJDLNZ-LLVKDONJSA-N 0 0 245.303 2.642 50 0 BFAARN CCCCNC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000020538234 385640527 /nfs/dbraw/zinc/64/05/27/385640527.db2.gz CMJYJMMXQXOVMD-JTQLQIEISA-N 0 0 238.306 2.986 50 0 BFAARN C[C@H](NC(=O)NC1CC1)c1ccc(Cl)s1 ZINC000020536294 385640699 /nfs/dbraw/zinc/64/06/99/385640699.db2.gz DBPSVWNKITWIST-LURJTMIESA-N 0 0 244.747 2.924 50 0 BFAARN Fc1cc2[nH]cnc2c(C(F)(F)F)c1 ZINC000252587538 385655056 /nfs/dbraw/zinc/65/50/56/385655056.db2.gz YYYYQHNNTLLAEL-UHFFFAOYSA-N 0 0 204.126 2.721 50 0 BFAARN c1ccc2nc3c(nc2c1)Nc1ncccc1O3 ZINC000001036821 385724452 /nfs/dbraw/zinc/72/44/52/385724452.db2.gz UFDWSQINDAVXTL-UHFFFAOYSA-N 0 0 236.234 2.874 50 0 BFAARN O=C(c1cc(O)cc(Cl)c1)N1CCCCC1 ZINC000261493737 385815247 /nfs/dbraw/zinc/81/52/47/385815247.db2.gz IHOSCTDWWJPZKX-UHFFFAOYSA-N 0 0 239.702 2.672 50 0 BFAARN CCSc1ncc(C(F)(F)F)cc1O ZINC000261493770 385815382 /nfs/dbraw/zinc/81/53/82/385815382.db2.gz IXCRCLFQCWATBF-UHFFFAOYSA-N 0 0 223.219 2.918 50 0 BFAARN CC(F)(F)c1ccnc(Br)c1 ZINC000215761479 385850062 /nfs/dbraw/zinc/85/00/62/385850062.db2.gz QJQIOIGWMUPNLB-UHFFFAOYSA-N 0 0 222.032 2.956 50 0 BFAARN c1ccc(NCCC[C@@H]2CCCCO2)nc1 ZINC000302238583 385886454 /nfs/dbraw/zinc/88/64/54/385886454.db2.gz WTOHKZDVOKYSDO-LBPRGKRZSA-N 0 0 220.316 2.843 50 0 BFAARN Cc1ccc(CNC(=O)CCc2ccco2)cc1 ZINC000012598985 385918411 /nfs/dbraw/zinc/91/84/11/385918411.db2.gz OCQFNBYTTFZFPZ-UHFFFAOYSA-N 0 0 243.306 2.837 50 0 BFAARN Clc1cnc(N2C[C@H]3CCCC[C@@H]3C2)nc1 ZINC000095408685 385861058 /nfs/dbraw/zinc/86/10/58/385861058.db2.gz SQPOLSYZJNUSOR-NXEZZACHSA-N 0 0 237.734 2.756 50 0 BFAARN CCCc1ccc(CN(C)Cc2nc(C)c[nH]2)o1 ZINC000216203753 385863699 /nfs/dbraw/zinc/86/36/99/385863699.db2.gz FVHUSDQJUKWRCZ-UHFFFAOYSA-N 0 0 247.342 2.896 50 0 BFAARN Cc1ccc([C@H](C)N[C@@H](C)c2nnc(C)o2)o1 ZINC000182569645 385876560 /nfs/dbraw/zinc/87/65/60/385876560.db2.gz CKUMTQYWJNBSHV-IUCAKERBSA-N 0 0 235.287 2.691 50 0 BFAARN Cc1ccc(C(=O)N[C@@H](C)c2ccccn2)cc1 ZINC000012527879 386076499 /nfs/dbraw/zinc/07/64/99/386076499.db2.gz GNLDFHGQJKMUSC-LBPRGKRZSA-N 0 0 240.306 2.881 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc2c(c1)CCO2 ZINC000027126508 386081727 /nfs/dbraw/zinc/08/17/27/386081727.db2.gz OFTIMOCTHJEYTR-SECBINFHSA-N 0 0 219.284 2.606 50 0 BFAARN CCC[C@H](C)NC(=O)c1cccnc1SC ZINC000012553436 386144241 /nfs/dbraw/zinc/14/42/41/386144241.db2.gz AOXLZCKLJQBXOV-VIFPVBQESA-N 0 0 238.356 2.722 50 0 BFAARN COC(=O)Cc1cc(F)c(Cl)cc1Cl ZINC000263623012 386157813 /nfs/dbraw/zinc/15/78/13/386157813.db2.gz CVGSQPUUGWFNCC-UHFFFAOYSA-N 0 0 237.057 2.848 50 0 BFAARN Nc1cccc(OC(F)F)c1C(F)(F)F ZINC000263625319 386158904 /nfs/dbraw/zinc/15/89/04/386158904.db2.gz YRPSUAMNIRVGAY-UHFFFAOYSA-N 0 0 227.132 2.889 50 0 BFAARN Cc1cncc(-c2ccc(N)c(Cl)c2)n1 ZINC000263625052 386158931 /nfs/dbraw/zinc/15/89/31/386158931.db2.gz WHXKZGHLWUDIEA-UHFFFAOYSA-N 0 0 219.675 2.688 50 0 BFAARN COC(=O)Cc1c(Cl)cc(F)cc1Cl ZINC000263624542 386159135 /nfs/dbraw/zinc/15/91/35/386159135.db2.gz RJTJLYXJPAETDQ-UHFFFAOYSA-N 0 0 237.057 2.848 50 0 BFAARN CC(C)c1noc([C@@H](C)N2CCC[C@@H](C)C2)n1 ZINC000225259571 386180861 /nfs/dbraw/zinc/18/08/61/386180861.db2.gz HFWHMCDWWQQOCP-GHMZBOCLSA-N 0 0 237.347 2.986 50 0 BFAARN Cc1cc(C)c(NC(=O)c2ccoc2)cc1CO ZINC000225554204 386202144 /nfs/dbraw/zinc/20/21/44/386202144.db2.gz KUFPGJZPPMAPOA-UHFFFAOYSA-N 0 0 245.278 2.641 50 0 BFAARN CN(Cc1cccc(F)c1)C(=O)CC(F)(F)F ZINC000040496636 386213617 /nfs/dbraw/zinc/21/36/17/386213617.db2.gz DYNWKQGPHRTYBG-UHFFFAOYSA-N 0 0 249.207 2.737 50 0 BFAARN Cc1ccc(S[C@H](C)C(=O)N(C)C)cc1 ZINC000031852061 386238173 /nfs/dbraw/zinc/23/81/73/386238173.db2.gz DKGQGUHWZZIRPZ-SNVBAGLBSA-N 0 0 223.341 2.564 50 0 BFAARN COC(=O)c1ccc(C(C)C)c(NC(C)=O)c1 ZINC000225526107 386200129 /nfs/dbraw/zinc/20/01/29/386200129.db2.gz LNLAIEOPHZBRGT-UHFFFAOYSA-N 0 0 235.283 2.555 50 0 BFAARN Cc1cc(C)c2c(c1)OC(=O)CC2(C)C ZINC000032223873 386265248 /nfs/dbraw/zinc/26/52/48/386265248.db2.gz SZFAEJMEHIBRMS-UHFFFAOYSA-N 0 0 204.269 2.890 50 0 BFAARN CCCn1cc(N[C@@H](C)CC(C)(C)OC)cn1 ZINC000095991553 386526748 /nfs/dbraw/zinc/52/67/48/386526748.db2.gz NFJVURWEJFLRRY-NSHDSACASA-N 0 0 239.363 2.909 50 0 BFAARN O=C(/C=C\c1ccc(F)cc1)Nc1ccncc1 ZINC000005785128 386557267 /nfs/dbraw/zinc/55/72/67/386557267.db2.gz JYAPUAXONHYIEL-UTCJRWHESA-N 0 0 242.253 2.873 50 0 BFAARN Cc1nocc1NC(=O)c1ccoc1C1CC1 ZINC000585125168 386678721 /nfs/dbraw/zinc/67/87/21/386678721.db2.gz JBASMBYNMGEQPJ-UHFFFAOYSA-N 0 0 232.239 2.706 50 0 BFAARN C[C@@H]1CC[C@@H](n2cc(-c3ccncc3)nn2)C1 ZINC000585124316 386679876 /nfs/dbraw/zinc/67/98/76/386679876.db2.gz YABVWYOODFLASJ-ZYHUDNBSSA-N 0 0 228.299 2.701 50 0 BFAARN CCCCNC(=O)N1[C@H](C)CCC[C@H]1C ZINC000005951500 386683821 /nfs/dbraw/zinc/68/38/21/386683821.db2.gz MHRXYYPTQNFXTH-GHMZBOCLSA-N 0 0 212.337 2.759 50 0 BFAARN CN(Cc1ccco1)C(=O)Nc1ccccc1 ZINC000012923706 386708654 /nfs/dbraw/zinc/70/86/54/386708654.db2.gz ISNDKQXLVSIMJT-UHFFFAOYSA-N 0 0 230.267 2.944 50 0 BFAARN COc1cc(N)ccc1OCc1ccc(C)nc1 ZINC000405556903 386729269 /nfs/dbraw/zinc/72/92/69/386729269.db2.gz VFSAEEHFARVNQU-UHFFFAOYSA-N 0 0 244.294 2.560 50 0 BFAARN Cn1ncc2c1NC(=O)C[C@@H]2c1cccs1 ZINC000049545322 386768889 /nfs/dbraw/zinc/76/88/89/386768889.db2.gz NMAZTUPCDNAHOC-ZETCQYMHSA-N 0 0 233.296 2.605 50 0 BFAARN Cc1cccc(CSc2cc(N)ncn2)c1 ZINC000087851366 386793068 /nfs/dbraw/zinc/79/30/68/386793068.db2.gz VDOWRSQTUMWDFP-UHFFFAOYSA-N 0 0 231.324 2.660 50 0 BFAARN Cn1ncc2c1NC(=O)C[C@H]2c1ccccc1 ZINC000049549886 386776122 /nfs/dbraw/zinc/77/61/22/386776122.db2.gz BCZSIZAIFJJXCU-JTQLQIEISA-N 0 0 227.267 2.544 50 0 BFAARN O=C1OCC[C@@H]1SCc1ccc(Cl)cc1 ZINC000012925559 386931646 /nfs/dbraw/zinc/93/16/46/386931646.db2.gz QCHGMJAJGSQHRO-JTQLQIEISA-N 0 0 242.727 2.889 50 0 BFAARN CCCCN(C)C(=O)c1ccc2nccnc2c1 ZINC000074696755 387019555 /nfs/dbraw/zinc/01/95/55/387019555.db2.gz BBDFGQMRPIFENW-UHFFFAOYSA-N 0 0 243.310 2.502 50 0 BFAARN CCC[C@H](C(=O)N(C)C)c1ccccc1 ZINC000047651862 387029770 /nfs/dbraw/zinc/02/97/70/387029770.db2.gz NYRQSGPYTNPIPM-LBPRGKRZSA-N 0 0 205.301 2.659 50 0 BFAARN Cc1sc(=O)[nH]c1-c1ccc(F)cc1 ZINC000034669915 387150268 /nfs/dbraw/zinc/15/02/68/387150268.db2.gz MELGPVBJGDXGFU-UHFFFAOYSA-N 0 0 209.245 2.551 50 0 BFAARN C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1cccs1 ZINC000032986500 387151961 /nfs/dbraw/zinc/15/19/61/387151961.db2.gz YQRNABVEFVCXDZ-HRDYMLBCSA-N 0 0 209.314 2.581 50 0 BFAARN CC(C)(C)c1cc(N)n(-c2ccccc2)n1 ZINC000000252685 322809309 /nfs/dbraw/zinc/80/93/09/322809309.db2.gz GFWSTBBSSBVVQP-UHFFFAOYSA-N 0 0 215.300 2.752 50 0 BFAARN Cc1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000000399395 387218599 /nfs/dbraw/zinc/21/85/99/387218599.db2.gz OHCLHQCVALHTDN-UHFFFAOYSA-N 0 0 246.331 2.969 50 0 BFAARN CCc1ccc(O)c(NC(=O)c2ccoc2)c1 ZINC000074825848 387220354 /nfs/dbraw/zinc/22/03/54/387220354.db2.gz IJIWXGCXUCNZJR-UHFFFAOYSA-N 0 0 231.251 2.800 50 0 BFAARN Fc1ccc(-c2nnc([C@@H]3CCCO3)o2)cc1 ZINC000064556869 387220836 /nfs/dbraw/zinc/22/08/36/387220836.db2.gz JJZSKPSECNCLTP-JTQLQIEISA-N 0 0 234.230 2.727 50 0 BFAARN Cc1cc(CNc2ccc(C)cc2)on1 ZINC000064556202 387221346 /nfs/dbraw/zinc/22/13/46/387221346.db2.gz NZCRETVYDXQWAS-UHFFFAOYSA-N 0 0 202.257 2.904 50 0 BFAARN Cc1nc(CC(=O)N(C)c2ccccc2)cs1 ZINC000064554608 387221596 /nfs/dbraw/zinc/22/15/96/387221596.db2.gz NYWKOHSKPUSGHK-UHFFFAOYSA-N 0 0 246.335 2.657 50 0 BFAARN CCCn1ccc(NC(=O)c2cccs2)n1 ZINC000064555577 387221714 /nfs/dbraw/zinc/22/17/14/387221714.db2.gz SQXCQKGVQDOPMT-UHFFFAOYSA-N 0 0 235.312 2.607 50 0 BFAARN C[C@@H]1C[C@]1(Cl)[S@@](=O)c1ccccc1 ZINC000095627050 387226487 /nfs/dbraw/zinc/22/64/87/387226487.db2.gz BASQNYBLNPBUEJ-DFAYQTQMSA-N 0 0 214.717 2.769 50 0 BFAARN Cc1cnc2[nH]ccc2c1Br ZINC000230570559 387270175 /nfs/dbraw/zinc/27/01/75/387270175.db2.gz VSOSUQLVHNCTMY-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN CC(=O)N[C@@H]1CCCCCCC(=O)CCCC1 ZINC000043199363 387274197 /nfs/dbraw/zinc/27/41/97/387274197.db2.gz NTGJGBVADPBFLF-CYBMUJFWSA-N 0 0 239.359 2.975 50 0 BFAARN O=C1CCCCCC[C@]1(O)Cc1ccccc1 ZINC000043199243 387274463 /nfs/dbraw/zinc/27/44/63/387274463.db2.gz DFZOUNNRQCPTAP-HNNXBMFYSA-N 0 0 232.323 2.884 50 0 BFAARN CC(C)CC[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000135411093 387305648 /nfs/dbraw/zinc/30/56/48/387305648.db2.gz HHKHJIBXCZIDTH-UHFFFAOYSA-N 0 0 247.338 2.789 50 0 BFAARN CN(c1ccccc1)c1ccccc1C(N)=O ZINC000078873053 387325037 /nfs/dbraw/zinc/32/50/37/387325037.db2.gz VFDXCJPNOYIVGC-UHFFFAOYSA-N 0 0 226.279 2.553 50 0 BFAARN C[C@@]1(F)CCCN(C(=O)c2ccsc2)C1 ZINC000295640660 387341029 /nfs/dbraw/zinc/34/10/29/387341029.db2.gz TWFVCGSVXKTBLO-LLVKDONJSA-N 0 0 227.304 2.712 50 0 BFAARN Cc1cc(NC(=O)c2ccc(C)cc2)on1 ZINC000013596629 387347982 /nfs/dbraw/zinc/34/79/82/387347982.db2.gz CWMSPWDVBLCDMM-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN CCCCC[S@](=O)c1cccc(O)c1 ZINC000191200494 387352599 /nfs/dbraw/zinc/35/25/99/387352599.db2.gz MJIMVUHEPQHSCS-AWEZNQCLSA-N 0 0 212.314 2.690 50 0 BFAARN CC(C)[C@@H]1C[C@H](C)CC[C@@H]1O[C@@H]1C=CC(=O)O1 ZINC000075262169 387433758 /nfs/dbraw/zinc/43/37/58/387433758.db2.gz CLAZQKKQQKBAAC-UHXUPSOCSA-N 0 0 238.327 2.903 50 0 BFAARN CCC[C@]1(COC)CCCN1C(=O)[C@H](C)CC ZINC000192763605 387436807 /nfs/dbraw/zinc/43/68/07/387436807.db2.gz KVYCLFDSVSEADU-TZMCWYRMSA-N 0 0 241.375 2.840 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)Nc1cccc2ncccc21 ZINC000032750123 387443322 /nfs/dbraw/zinc/44/33/22/387443322.db2.gz JSTKKYQEQZNXOC-KOLCDFICSA-N 0 0 226.279 2.829 50 0 BFAARN C[C@H](C(=O)[O-])[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000265214922 387398005 /nfs/dbraw/zinc/39/80/05/387398005.db2.gz FEHPBDRDMSFMQL-DOMZBBRYSA-N 0 0 247.338 2.513 50 0 BFAARN C[C@@H](NC(=O)OC(C)(C)C)C(=O)c1ccccc1 ZINC000034584407 387422985 /nfs/dbraw/zinc/42/29/85/387422985.db2.gz YXZISSQOFIZLNX-SNVBAGLBSA-N 0 0 249.310 2.783 50 0 BFAARN CCCn1c(=N)sc2cccc(F)c21 ZINC000100968688 387472659 /nfs/dbraw/zinc/47/26/59/387472659.db2.gz LAWGYZXPTJDWBQ-UHFFFAOYSA-N 0 0 210.277 2.731 50 0 BFAARN CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000075270488 387487237 /nfs/dbraw/zinc/48/72/37/387487237.db2.gz WSUOHOSRSHZABT-UHFFFAOYSA-N 0 0 239.123 2.787 50 0 BFAARN CCc1n[nH]cc1-c1ccc(OCCOC)cc1 ZINC000426588805 387580264 /nfs/dbraw/zinc/58/02/64/387580264.db2.gz CDKYXSGDKXXAMG-UHFFFAOYSA-N 0 0 246.310 2.664 50 0 BFAARN CCN(C)c1cc(-c2ccc(O)c(C)c2)ncn1 ZINC000426544304 387581389 /nfs/dbraw/zinc/58/13/89/387581389.db2.gz DZOZPZGWLUOLJY-UHFFFAOYSA-N 0 0 243.310 2.614 50 0 BFAARN CCn1nc(C)c(-c2ccc(N(C)C)nc2)c1C ZINC000426642881 387582196 /nfs/dbraw/zinc/58/21/96/387582196.db2.gz KJYLWJFDZACGPA-UHFFFAOYSA-N 0 0 244.342 2.648 50 0 BFAARN Cc1ccc2[nH]cc(-c3cc(C)n[nH]c3=O)c2c1 ZINC000426382668 387563272 /nfs/dbraw/zinc/56/32/72/387563272.db2.gz KBKBDPJWCSRMIB-UHFFFAOYSA-N 0 0 239.278 2.947 50 0 BFAARN COc1ccnc(-c2ccc(OC(C)C)cc2)n1 ZINC000426404396 387564196 /nfs/dbraw/zinc/56/41/96/387564196.db2.gz VCVYVOBRVDRXTM-UHFFFAOYSA-N 0 0 244.294 2.939 50 0 BFAARN Fc1cnc(-c2ccc(F)c3cccnc32)nc1 ZINC000426513610 387578570 /nfs/dbraw/zinc/57/85/70/387578570.db2.gz IAOHVOVSXDNGLA-UHFFFAOYSA-N 0 0 243.216 2.970 50 0 BFAARN O=C(c1ccoc1)N1CC[C@@H](c2ccccc2)C1 ZINC000121579603 387630813 /nfs/dbraw/zinc/63/08/13/387630813.db2.gz BPVBAEFUTDGHGF-CYBMUJFWSA-N 0 0 241.290 2.909 50 0 BFAARN Cc1ccc([C@@H](NC(N)=O)c2ccccc2)cc1 ZINC000000437188 387691679 /nfs/dbraw/zinc/69/16/79/387691679.db2.gz VSCGYFLHIVGWJZ-AWEZNQCLSA-N 0 0 240.306 2.753 50 0 BFAARN O=C(C1CC(=O)C1)N1CCC2(C1)CCCCCC2 ZINC000378487635 387785968 /nfs/dbraw/zinc/78/59/68/387785968.db2.gz ITGZKCKBTFYWQK-UHFFFAOYSA-N 0 0 249.354 2.538 50 0 BFAARN CCc1ccccc1NC(=O)c1cnoc1C ZINC000000385572 387796847 /nfs/dbraw/zinc/79/68/47/387796847.db2.gz NRHPCNAPVNUKNE-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN CSCCC(=O)NCc1ccc(Cl)s1 ZINC000036397584 387799930 /nfs/dbraw/zinc/79/99/30/387799930.db2.gz ZWZPCZKGBHEAAN-UHFFFAOYSA-N 0 0 249.788 2.771 50 0 BFAARN Cc1cc(C)c2c(N)n(-c3ccccc3)nc2n1 ZINC000000616677 177879472 /nfs/dbraw/zinc/87/94/72/177879472.db2.gz GNDVKPGTEIGBSX-UHFFFAOYSA-N 0 0 238.294 2.620 50 0 BFAARN CC[C@@H]1CN(C(C)=O)c2cc(C)ccc2O1 ZINC000075403641 387845559 /nfs/dbraw/zinc/84/55/59/387845559.db2.gz JNJZGXWWDMIHFG-LLVKDONJSA-N 0 0 219.284 2.519 50 0 BFAARN O=C1CCOc2cc(F)c(Br)cc21 ZINC000116943496 387851872 /nfs/dbraw/zinc/85/18/72/387851872.db2.gz HFZTWXBKOKADOI-UHFFFAOYSA-N 0 0 245.047 2.553 50 0 BFAARN CC(=O)OCCc1ccc(Br)cc1 ZINC000140642745 387852921 /nfs/dbraw/zinc/85/29/21/387852921.db2.gz CYDBKABNCDXYTM-UHFFFAOYSA-N 0 0 243.100 2.555 50 0 BFAARN C=C[Si](C)(C)c1ccc([Si](C)(C)C=C)cc1 ZINC000169806229 387853566 /nfs/dbraw/zinc/85/35/66/387853566.db2.gz VLNRSEGRGSDKLS-UHFFFAOYSA-N 0 0 246.502 2.968 50 0 BFAARN Cc1cc(C)c(C(N)=O)c(-c2ccsc2)n1 ZINC000032519445 177850418 /nfs/dbraw/zinc/85/04/18/177850418.db2.gz ZKMBCEOTZKOSNW-UHFFFAOYSA-N 0 0 232.308 2.526 50 0 BFAARN Cc1cc(C(=O)c2ccccc2C)ccn1 ZINC000045038428 177826932 /nfs/dbraw/zinc/82/69/32/177826932.db2.gz QQQHHDXSZAFLQT-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN c1ccc(N2CC[C@H]3CCCC[C@H]32)nc1 ZINC000225261583 387941636 /nfs/dbraw/zinc/94/16/36/387941636.db2.gz ZCFZTNRSWIDGOO-VXGBXAGGSA-N 0 0 202.301 2.851 50 0 BFAARN Cc1cc(C(=O)Nc2nccs2)c(C)o1 ZINC000007655120 177820097 /nfs/dbraw/zinc/82/00/97/177820097.db2.gz MFDDEIUCXJPBNK-UHFFFAOYSA-N 0 0 222.269 2.605 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(C)c(F)c2)no1 ZINC000002800831 177816494 /nfs/dbraw/zinc/81/64/94/177816494.db2.gz UJLKLBZTWKZXCW-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(F)c(F)c2)on1 ZINC000032740612 177815926 /nfs/dbraw/zinc/81/59/26/177815926.db2.gz PEGGQKABVZECBI-UHFFFAOYSA-N 0 0 238.193 2.514 50 0 BFAARN Cc1cc(C(=O)N[C@@H](C)c2ccncc2)cs1 ZINC000001052286 177801825 /nfs/dbraw/zinc/80/18/25/177801825.db2.gz AEQQUNVDOPJXJY-JTQLQIEISA-N 0 0 246.335 2.943 50 0 BFAARN CSC(C)(C)CNc1cccc(C)n1 ZINC000138619008 388025331 /nfs/dbraw/zinc/02/53/31/388025331.db2.gz LIVLODCCIZWVCY-UHFFFAOYSA-N 0 0 210.346 2.944 50 0 BFAARN CC(C)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000065517350 388076053 /nfs/dbraw/zinc/07/60/53/388076053.db2.gz GEJPUWMVADTQHG-CYBMUJFWSA-N 0 0 223.291 2.607 50 0 BFAARN C[C@H](NC(=O)Nc1ccccc1)C1CC1 ZINC000010109381 388097129 /nfs/dbraw/zinc/09/71/29/388097129.db2.gz VBBOGUVAPQGDSX-VIFPVBQESA-N 0 0 204.273 2.607 50 0 BFAARN CC/C=C(/C)C(=O)N[C@@H](C)Cc1ccco1 ZINC000065591429 388098673 /nfs/dbraw/zinc/09/86/73/388098673.db2.gz LFOFZKBLJQIFMX-YAEJEKNGSA-N 0 0 221.300 2.683 50 0 BFAARN CC(C)CC[N@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000250596173 388177499 /nfs/dbraw/zinc/17/74/99/388177499.db2.gz NYJQTXUOIFWYGX-AGIUHOORSA-N 0 0 239.359 2.750 50 0 BFAARN Cc1cc(C(=O)NC2CC2)c2cc(F)ccc2n1 ZINC000035218988 177775630 /nfs/dbraw/zinc/77/56/30/177775630.db2.gz UIWLGNTXLTWSKO-UHFFFAOYSA-N 0 0 244.269 2.575 50 0 BFAARN Fc1cc(CNc2cnccn2)ccc1Cl ZINC000170612165 388257081 /nfs/dbraw/zinc/25/70/81/388257081.db2.gz YQIFVYWPPTWYOO-UHFFFAOYSA-N 0 0 237.665 2.881 50 0 BFAARN O=C(Oc1ccc2c(c1)CCC2)[C@@H]1CCCOC1 ZINC000170620717 388260166 /nfs/dbraw/zinc/26/01/66/388260166.db2.gz MMNSKLDEMXRZSN-CYBMUJFWSA-N 0 0 246.306 2.507 50 0 BFAARN O=C(C(F)F)N1CC[C@@H](CC2CCCC2)C1 ZINC000373342798 388241735 /nfs/dbraw/zinc/24/17/35/388241735.db2.gz CWTMIBNPJKNNPH-JTQLQIEISA-N 0 0 231.286 2.680 50 0 BFAARN COC(=O)c1ccc(COc2ccccc2)o1 ZINC000002661552 388347755 /nfs/dbraw/zinc/34/77/55/388347755.db2.gz HRQHIOAJVPXLOP-UHFFFAOYSA-N 0 0 232.235 2.645 50 0 BFAARN CCCc1sc(C(=O)N(C)C)cc1CC ZINC000057027078 388355399 /nfs/dbraw/zinc/35/53/99/388355399.db2.gz JUKZNORWRCZENS-UHFFFAOYSA-N 0 0 225.357 2.965 50 0 BFAARN CN(Cc1ccncc1)C(=O)Nc1ccccc1 ZINC000057524904 388361809 /nfs/dbraw/zinc/36/18/09/388361809.db2.gz GPXMFXVWUOMHMZ-UHFFFAOYSA-N 0 0 241.294 2.746 50 0 BFAARN CC(C)(C)CCn1ncc(Cl)c(Cl)c1=O ZINC000162905312 388364852 /nfs/dbraw/zinc/36/48/52/388364852.db2.gz BDQPNJWGKKIGGC-UHFFFAOYSA-N 0 0 249.141 2.986 50 0 BFAARN CC(C)N=c1ccccn1C(=O)C[C@@H]1C=CCC1 ZINC000254800203 388366594 /nfs/dbraw/zinc/36/65/94/388366594.db2.gz RWDSDSMNQARVAY-CYBMUJFWSA-N 0 0 244.338 2.794 50 0 BFAARN CSCCCN(C)C(=O)N[C@H](C)C(C)(C)C ZINC000252492113 388368847 /nfs/dbraw/zinc/36/88/47/388368847.db2.gz MDDNTAQWUCJFSF-SNVBAGLBSA-N 0 0 246.420 2.816 50 0 BFAARN CC(C)c1ccn(Cc2ccn(C(C)C)n2)n1 ZINC000089893493 388370081 /nfs/dbraw/zinc/37/00/81/388370081.db2.gz NQLXJRLKFNTSPQ-UHFFFAOYSA-N 0 0 232.331 2.832 50 0 BFAARN CN(Cc1ccco1)c1ncnc2sccc21 ZINC000003405738 388377900 /nfs/dbraw/zinc/37/79/00/388377900.db2.gz JCVZUNDFFVZHJY-UHFFFAOYSA-N 0 0 245.307 2.921 50 0 BFAARN Cc1nnc2sc(/C=C\c3ccccc3)nn12 ZINC000031760023 388389219 /nfs/dbraw/zinc/38/92/19/388389219.db2.gz JKPVTJJPEOVAHM-FPLPWBNLSA-N 0 0 242.307 2.665 50 0 BFAARN c1ccc2oc(NC[C@H]3CCCOC3)nc2c1 ZINC000038046229 388389317 /nfs/dbraw/zinc/38/93/17/388389317.db2.gz OJEJRYUCEFSALZ-SNVBAGLBSA-N 0 0 232.283 2.666 50 0 BFAARN S=c1[nH]c(CN2CCCC2)nc2ccccc21 ZINC000031773350 388389669 /nfs/dbraw/zinc/38/96/69/388389669.db2.gz XZBJHYXIAXGQQD-UHFFFAOYSA-N 0 0 245.351 2.514 50 0 BFAARN Cc1nc(-c2ccccc2)[nH]c(=O)c1CC(C)C ZINC000008169740 388402279 /nfs/dbraw/zinc/40/22/79/388402279.db2.gz HAUFRTRKMMEMQX-UHFFFAOYSA-N 0 0 242.322 2.944 50 0 BFAARN Cc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 ZINC000008270331 388403573 /nfs/dbraw/zinc/40/35/73/388403573.db2.gz ZBEXFNOIOKBKIV-UHFFFAOYSA-N 0 0 244.319 2.637 50 0 in-vitro BFAARN C[C@@H]1C[C@H]1C(=O)Nc1ccccc1OC(F)F ZINC000009726551 388441570 /nfs/dbraw/zinc/44/15/70/388441570.db2.gz FBVJRBSAWHBLCJ-HTQZYQBOSA-N 0 0 241.237 2.883 50 0 BFAARN O=C1CCCc2[nH]nc(-c3cccs3)c21 ZINC000071282183 388443705 /nfs/dbraw/zinc/44/37/05/388443705.db2.gz SPCVIAPVZNCSKE-UHFFFAOYSA-N 0 0 218.281 2.657 50 0 BFAARN CC[C@H]1CN(Cc2csc(C)n2)CCS1 ZINC000076073583 388472158 /nfs/dbraw/zinc/47/21/58/388472158.db2.gz NKYNMKBLKZKIHH-NSHDSACASA-N 0 0 242.413 2.779 50 0 BFAARN Cc1ccc(C)c([C@H](C)NC(=O)NC2CC2)c1 ZINC000040016029 388411838 /nfs/dbraw/zinc/41/18/38/388411838.db2.gz IBDCALWJBDPPNK-NSHDSACASA-N 0 0 232.327 2.826 50 0 BFAARN Cc1cc(C(=O)N2CCCC2)sc1C ZINC000002730952 177751203 /nfs/dbraw/zinc/75/12/03/177751203.db2.gz AXFMLLAOLAJNPY-UHFFFAOYSA-N 0 0 209.314 2.601 50 0 BFAARN Cc1ccc(CN(C)C(=O)Cc2cccs2)o1 ZINC000040459497 388416595 /nfs/dbraw/zinc/41/65/95/388416595.db2.gz RLJHQNBJMHYEIS-UHFFFAOYSA-N 0 0 249.335 2.851 50 0 BFAARN CCCc1nc(CSc2nc[nH]n2)cs1 ZINC000040500925 388418712 /nfs/dbraw/zinc/41/87/12/388418712.db2.gz OKPOHDJACBGDCP-UHFFFAOYSA-N 0 0 240.357 2.506 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 ZINC000040505756 388419255 /nfs/dbraw/zinc/41/92/55/388419255.db2.gz KFNWMMBKCVDUQE-OLZOCXBDSA-N 0 0 239.359 2.737 50 0 BFAARN O=C(CC[C@H]1CCCO1)Nc1ccccc1F ZINC000040505939 388419331 /nfs/dbraw/zinc/41/93/31/388419331.db2.gz AXNFBVXINRMXDW-SNVBAGLBSA-N 0 0 237.274 2.723 50 0 BFAARN Cc1noc([C@H](C)Oc2ccc(F)cc2)n1 ZINC000069618045 388422154 /nfs/dbraw/zinc/42/21/54/388422154.db2.gz NOKNZLOSMFKCDH-ZETCQYMHSA-N 0 0 222.219 2.657 50 0 BFAARN C[C@@H]1C[C@H]1NC(=O)c1ncoc1-c1cccs1 ZINC000069702379 388425079 /nfs/dbraw/zinc/42/50/79/388425079.db2.gz PVYXXYHNJTZART-HTQZYQBOSA-N 0 0 248.307 2.541 50 0 BFAARN CC(C)(C)CC(C)(C)NC(=O)Cc1cccnc1 ZINC000069846586 388427179 /nfs/dbraw/zinc/42/71/79/388427179.db2.gz CGCZPMULBFXTHJ-UHFFFAOYSA-N 0 0 248.370 2.955 50 0 BFAARN CSCC(=O)Nc1ccccc1Cl ZINC000041779852 388438775 /nfs/dbraw/zinc/43/87/75/388438775.db2.gz PZCNXVIOBYXLCQ-UHFFFAOYSA-N 0 0 215.705 2.642 50 0 BFAARN Cc1n[nH]c(C)c1CN1CCc2ccccc21 ZINC000195556520 388483288 /nfs/dbraw/zinc/48/32/88/388483288.db2.gz MFFOTBRJAGITIO-UHFFFAOYSA-N 0 0 227.311 2.589 50 0 BFAARN Cc1cncc(CNc2cccc(C)n2)c1 ZINC000195566918 388487316 /nfs/dbraw/zinc/48/73/16/388487316.db2.gz IJDPXDVRGIWNNJ-UHFFFAOYSA-N 0 0 213.284 2.706 50 0 BFAARN CCN(CCn1cc(C)cn1)c1ccccc1 ZINC000253416334 388591894 /nfs/dbraw/zinc/59/18/94/388591894.db2.gz CUEJETPURJRAEW-UHFFFAOYSA-N 0 0 229.327 2.718 50 0 BFAARN C[C@@H](Cc1ccc(F)cc1)Nc1c[nH]cn1 ZINC000225510854 388594633 /nfs/dbraw/zinc/59/46/33/388594633.db2.gz HEAQJRQWZHBVJN-VIFPVBQESA-N 0 0 219.263 2.592 50 0 BFAARN CCOCCn1c(CC)nc2ccccc21 ZINC000002342277 388596113 /nfs/dbraw/zinc/59/61/13/388596113.db2.gz VOKKQIYRYQKOQX-UHFFFAOYSA-N 0 0 218.300 2.635 50 0 BFAARN O=Cc1ccc2nc(-c3ccccc3)cn2c1 ZINC000001386268 388573038 /nfs/dbraw/zinc/57/30/38/388573038.db2.gz JYUHCJZXAIVQBD-UHFFFAOYSA-N 0 0 222.247 2.814 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2cccc(N)c21 ZINC000077034308 388682676 /nfs/dbraw/zinc/68/26/76/388682676.db2.gz IGGCXTTVKSYIIK-UHFFFAOYSA-N 0 0 234.299 2.566 50 0 BFAARN O=Cc1ccc2nc(Br)sc2c1 ZINC000095836359 388683671 /nfs/dbraw/zinc/68/36/71/388683671.db2.gz KRMBMPJIMPGDTB-UHFFFAOYSA-N 0 0 242.097 2.871 50 0 BFAARN Clc1ccc(N=NCc2ccsc2)nn1 ZINC000254300421 388635580 /nfs/dbraw/zinc/63/55/80/388635580.db2.gz XDFUFFJBEVIVGH-UHFFFAOYSA-N 0 0 238.703 2.638 50 0 BFAARN Cc1cncc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000089591492 388738646 /nfs/dbraw/zinc/73/86/46/388738646.db2.gz MTPCFRAABYGYGF-STQMWFEESA-N 0 0 244.338 2.652 50 0 BFAARN CC1(C)[C@@H]2CN(C(=O)C3CCCCC3)C[C@@H]21 ZINC000089917668 388742104 /nfs/dbraw/zinc/74/21/04/388742104.db2.gz OXGNEPFFSVWPFX-TXEJJXNPSA-N 0 0 221.344 2.681 50 0 BFAARN CC(C)C(=O)N1CCC[C@@H]1COc1ccccc1 ZINC000079050837 388744721 /nfs/dbraw/zinc/74/47/21/388744721.db2.gz DWTANAATYQOXBU-CYBMUJFWSA-N 0 0 247.338 2.712 50 0 BFAARN CCc1ccc(CN2CCOCC23CCC3)o1 ZINC000093510102 388744761 /nfs/dbraw/zinc/74/47/61/388744761.db2.gz SQTMATHRFAWZID-UHFFFAOYSA-N 0 0 235.327 2.597 50 0 BFAARN CCC(CC)CN=Nc1nc(C)cc(C)n1 ZINC000254424578 388751093 /nfs/dbraw/zinc/75/10/93/388751093.db2.gz ZCDUILJQNUJVPP-UHFFFAOYSA-N 0 0 220.320 2.927 50 0 BFAARN CC(=O)c1ccc(C(=O)NC2CCCC2)s1 ZINC000007951186 388730068 /nfs/dbraw/zinc/73/00/68/388730068.db2.gz BYUTYTKBTBIARX-UHFFFAOYSA-N 0 0 237.324 2.623 50 0 BFAARN Cc1noc(NCc2cccc3cccnc32)n1 ZINC000095976664 388797155 /nfs/dbraw/zinc/79/71/55/388797155.db2.gz LZQBHJXYTGTPKU-UHFFFAOYSA-N 0 0 240.266 2.538 50 0 BFAARN CCc1cccnc1NCc1cccnc1 ZINC000095973203 388798230 /nfs/dbraw/zinc/79/82/30/388798230.db2.gz KEOGJOHWHIHDDZ-UHFFFAOYSA-N 0 0 213.284 2.651 50 0 BFAARN CC[C@@H](C)Nc1cccc(CN2CCOCC2)c1 ZINC000095991587 388801064 /nfs/dbraw/zinc/80/10/64/388801064.db2.gz UQHKNBPVSHORGG-CYBMUJFWSA-N 0 0 248.370 2.729 50 0 BFAARN C[S@](=O)Cc1cccc(NCC2CCC2)c1 ZINC000095990859 388801989 /nfs/dbraw/zinc/80/19/89/388801989.db2.gz VTKFJEWBRCMHRW-MRXNPFEDSA-N 0 0 237.368 2.777 50 0 BFAARN CCC[C@H](NCC(C)C)C(=O)OC(C)(C)C ZINC000095943142 388791073 /nfs/dbraw/zinc/79/10/73/388791073.db2.gz HRUOTMZULXSUMR-NSHDSACASA-N 0 0 229.364 2.742 50 0 BFAARN CC(C)C[C@H](C)OC(=O)c1ccc2nc[nH]c2n1 ZINC000095942856 388791686 /nfs/dbraw/zinc/79/16/86/388791686.db2.gz NCISLKUKKRNHOG-VIFPVBQESA-N 0 0 247.298 2.549 50 0 BFAARN CC1(C)CC(C=Cc2ccccc2)=NC(=S)N1 ZINC000096936234 388827961 /nfs/dbraw/zinc/82/79/61/388827961.db2.gz XSCGDNGCQKSMCC-HJWRWDBZSA-N 0 0 244.363 2.840 50 0 BFAARN CCc1[nH]nc(N[C@H](C)C2CCOCC2)c1C ZINC000097037942 388832019 /nfs/dbraw/zinc/83/20/19/388832019.db2.gz TXFOLKQIBFTATH-SNVBAGLBSA-N 0 0 237.347 2.508 50 0 BFAARN CCCCCCNC(=O)c1ccc(C)n1C ZINC000055488905 388838477 /nfs/dbraw/zinc/83/84/77/388838477.db2.gz HKTLKCUJCSUOQM-UHFFFAOYSA-N 0 0 222.332 2.644 50 0 BFAARN Cc1c[nH]c2nccc(Br)c12 ZINC000096372390 177643511 /nfs/dbraw/zinc/64/35/11/177643511.db2.gz GFSUMMCGIHFVNS-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN O=C(C1CC1)N1CCSc2ccccc21 ZINC000032997899 132335868 /nfs/dbraw/zinc/33/58/68/132335868.db2.gz CBJKSPQMAHFSAD-UHFFFAOYSA-N 0 0 219.309 2.535 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)N1CCCc2ccccc21 ZINC000032975320 132335895 /nfs/dbraw/zinc/33/58/95/132335895.db2.gz HRKQJDIJINBUOC-JQWIXIFHSA-N 0 0 215.296 2.622 50 0 BFAARN Fc1c(Cl)ccnc1N1CCCCC1 ZINC000261493650 132177544 /nfs/dbraw/zinc/17/75/44/132177544.db2.gz GOMIBCVNMFVTFT-UHFFFAOYSA-N 0 0 214.671 2.864 50 0 BFAARN Cc1cc(C)c2c(c1)CN(c1ncccn1)CC2 ZINC000274977372 132204550 /nfs/dbraw/zinc/20/45/50/132204550.db2.gz JJQUVRFTLGMDEV-UHFFFAOYSA-N 0 0 239.322 2.656 50 0 BFAARN Cc1cncc(N2CCC(C(F)(F)F)CC2)n1 ZINC000302156907 132260876 /nfs/dbraw/zinc/26/08/76/132260876.db2.gz NXWVHZLMBHFXSA-UHFFFAOYSA-N 0 0 245.248 2.564 50 0 BFAARN CC1CCN(c2ncnc3sccc32)CC1 ZINC000002886784 132292322 /nfs/dbraw/zinc/29/23/22/132292322.db2.gz LARHSXAPRRVZBC-UHFFFAOYSA-N 0 0 233.340 2.928 50 0 BFAARN CCCC(=O)N1CCSc2ccccc21 ZINC000032997895 132312170 /nfs/dbraw/zinc/31/21/70/132312170.db2.gz FQCPKAJXHUWZES-UHFFFAOYSA-N 0 0 221.325 2.925 50 0 BFAARN O=C1Nc2ccccc2N(O)N1c1ccccc1 ZINC000000184556 132313050 /nfs/dbraw/zinc/31/30/50/132313050.db2.gz VVDWLHFTYNEXSI-UHFFFAOYSA-N 0 0 241.250 2.849 50 0 BFAARN C[C@H]1CCCN(c2ccc(F)cc2N)C1 ZINC000002538783 132315085 /nfs/dbraw/zinc/31/50/85/132315085.db2.gz MXHWGHJBQPQAJS-VIFPVBQESA-N 0 0 208.280 2.644 50 0 BFAARN Cc1cc(C(=O)N2CCCc3ccccc32)on1 ZINC000006738070 132318354 /nfs/dbraw/zinc/31/83/54/132318354.db2.gz BBWRDUDQVIOCOL-UHFFFAOYSA-N 0 0 242.278 2.576 50 0 BFAARN CC(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000012379590 132321386 /nfs/dbraw/zinc/32/13/86/132321386.db2.gz BQMZMAWGXIVNBS-UHFFFAOYSA-N 0 0 236.290 2.774 50 0 BFAARN c1ccc2c(c1)N=NCN2N1CCCCC1 ZINC000016768539 132323382 /nfs/dbraw/zinc/32/33/82/132323382.db2.gz DQRBBLUGPQCYSE-UHFFFAOYSA-N 0 0 216.288 2.949 50 0 BFAARN CC1CCN(c2ccc(N)cc2F)CC1 ZINC000020352152 132331131 /nfs/dbraw/zinc/33/11/31/132331131.db2.gz PPWOKXFIFJMCRB-UHFFFAOYSA-N 0 0 208.280 2.644 50 0 BFAARN Cc1nccc2nc(N3CCCCC3)ccc12 ZINC000020366632 132331475 /nfs/dbraw/zinc/33/14/75/132331475.db2.gz VOGGEDPKRMCANC-UHFFFAOYSA-N 0 0 227.311 2.929 50 0 BFAARN O=C(C1CCC1)N1CCSc2ccccc21 ZINC000032997905 132335841 /nfs/dbraw/zinc/33/58/41/132335841.db2.gz GGRMYMTYQMJRNE-UHFFFAOYSA-N 0 0 233.336 2.925 50 0 BFAARN Brc1ccnc(N2CCCCC2)c1 ZINC000039933116 132347108 /nfs/dbraw/zinc/34/71/08/132347108.db2.gz SRJWDPFVNPQGDM-UHFFFAOYSA-N 0 0 241.132 2.834 50 0 BFAARN CC[C@H]1CCCCN1c1cncc(Cl)n1 ZINC000042783561 132352473 /nfs/dbraw/zinc/35/24/73/132352473.db2.gz XQSPNJRZTZGASO-VIFPVBQESA-N 0 0 225.723 2.899 50 0 BFAARN C[C@H]1C[C@H](C)CN(c2cc(=S)[nH]cn2)C1 ZINC000045918629 132355012 /nfs/dbraw/zinc/35/50/12/132355012.db2.gz XQCQPQVSVHTAAA-IUCAKERBSA-N 0 0 223.345 2.621 50 0 BFAARN c1ccc2c(c1)NCCN2C1CCCC1 ZINC000058439698 132368148 /nfs/dbraw/zinc/36/81/48/132368148.db2.gz ODYHMBBRAZIQQQ-UHFFFAOYSA-N 0 0 202.301 2.861 50 0 BFAARN Cc1ccc2c(c1)N(C(=O)C1CC1)C[C@H](C)O2 ZINC000064554731 132389790 /nfs/dbraw/zinc/38/97/90/132389790.db2.gz KQGKTFYXEYYEGU-JTQLQIEISA-N 0 0 231.295 2.519 50 0 BFAARN Cn1cc(CN2CCSc3ccccc32)cn1 ZINC000070977395 132390825 /nfs/dbraw/zinc/39/08/25/132390825.db2.gz BYFNVMDJEXMRRW-UHFFFAOYSA-N 0 0 245.351 2.532 50 0 BFAARN CS[C@@H]1CCCN(c2ccccc2)C1=O ZINC000079355828 132412411 /nfs/dbraw/zinc/41/24/11/132412411.db2.gz VKCHVODLKKWPDO-LLVKDONJSA-N 0 0 221.325 2.545 50 0 BFAARN Cc1c(Cl)cccc1N1C(=O)CCCC1=O ZINC000002166209 132458400 /nfs/dbraw/zinc/45/84/00/132458400.db2.gz RKYAHZGMMABTLN-UHFFFAOYSA-N 0 0 237.686 2.692 50 0 BFAARN COc1ccc(OC)c2c(OC)cccc12 ZINC000000393466 133553646 /nfs/dbraw/zinc/55/36/46/133553646.db2.gz XHNBKOCLAIWDRP-UHFFFAOYSA-N 0 0 218.252 2.866 50 0 BFAARN Fc1cncc(CSc2ncco2)c1 ZINC000336080657 134075275 /nfs/dbraw/zinc/07/52/75/134075275.db2.gz LQOOGOGFUAXAJJ-UHFFFAOYSA-N 0 0 210.233 2.501 50 0 BFAARN O=C1NC2(CCCCC2)NN1c1ccc(F)cc1 ZINC000334160345 134160078 /nfs/dbraw/zinc/16/00/78/134160078.db2.gz BMITWAGYQHFKDI-UHFFFAOYSA-N 0 0 249.289 2.520 50 0 BFAARN CNC(=O)Nc1cccc(-c2nccs2)c1 ZINC000048697708 134623651 /nfs/dbraw/zinc/62/36/51/134623651.db2.gz YXVRONDLMCVVJQ-UHFFFAOYSA-N 0 0 233.296 2.561 50 0 BFAARN C[C@H]1COC(=O)CCCCCCCCC(=O)O1 ZINC000004023811 134807858 /nfs/dbraw/zinc/80/78/58/134807858.db2.gz JOZILNCSRASEMU-NSHDSACASA-N 0 0 242.315 2.596 50 0 biogenic BFAARN Cc1cc(C(=O)N[C@@H]2CC[C@@H](F)C2)oc1C ZINC000334276011 135332387 /nfs/dbraw/zinc/33/23/87/135332387.db2.gz NENLOPRTRVFFAW-NXEZZACHSA-N 0 0 225.263 2.517 50 0 BFAARN C[C@H]1CN(C(=O)C2CCCC2)C[C@H](C)S1 ZINC000080949760 135384725 /nfs/dbraw/zinc/38/47/25/135384725.db2.gz PWKVBMXYNYNRHT-UWVGGRQHSA-N 0 0 227.373 2.529 50 0 BFAARN Cc1cnc(CSc2ccccc2O)cn1 ZINC000089702259 135539154 /nfs/dbraw/zinc/53/91/54/135539154.db2.gz JCLLVCLEQQPOOK-UHFFFAOYSA-N 0 0 232.308 2.783 50 0 BFAARN Cc1cccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)n1 ZINC000089688905 135539224 /nfs/dbraw/zinc/53/92/24/135539224.db2.gz BSURRNXSKZQMQS-CHWSQXEVSA-N 0 0 244.338 2.652 50 0 BFAARN Cc1cccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000032909083 135832709 /nfs/dbraw/zinc/83/27/09/135832709.db2.gz WGUFALSKPWOLCP-GHMZBOCLSA-N 0 0 232.327 2.508 50 0 BFAARN Cc1coc(C)c1C(=O)N[C@H]1CC[C@H](F)C1 ZINC000335343088 136065250 /nfs/dbraw/zinc/06/52/50/136065250.db2.gz ZGKODAJSDMIPAZ-UWVGGRQHSA-N 0 0 225.263 2.517 50 0 BFAARN Cc1c(NC2CCCCC2)cnn1[C@@H]1CCOC1 ZINC000335576518 136111266 /nfs/dbraw/zinc/11/12/66/136111266.db2.gz NFOMZMXTQCMKKD-CYBMUJFWSA-N 0 0 249.358 2.898 50 0 BFAARN CC(C)CNC(=O)c1ccc(OC(C)C)cc1 ZINC000008041763 166998638 /nfs/dbraw/zinc/99/86/38/166998638.db2.gz BBNLJRXYICTERA-UHFFFAOYSA-N 0 0 235.327 2.860 50 0 BFAARN Clc1cc2cccnc2c(Cn2cncn2)c1 ZINC000098012702 397804474 /nfs/dbraw/zinc/80/44/74/397804474.db2.gz WBZCFUSHXICLPW-UHFFFAOYSA-N 0 0 244.685 2.528 50 0 BFAARN CNc1nnc(-c2ccc(C)cc2)s1 ZINC000004993914 397929417 /nfs/dbraw/zinc/92/94/17/397929417.db2.gz XMBYVDAXCMOJRY-UHFFFAOYSA-N 0 0 205.286 2.555 50 0 BFAARN CC(=O)c1nc(-c2ccccc2)oc1C ZINC000020470611 397965664 /nfs/dbraw/zinc/96/56/64/397965664.db2.gz NMSUUNOVNFUBPW-UHFFFAOYSA-N 0 0 201.225 2.853 50 0 BFAARN Cc1nn(C)c2nc(C)cc(C(F)(F)Cl)c12 ZINC000002740486 397911444 /nfs/dbraw/zinc/91/14/44/397911444.db2.gz QADPXJMMNAIVOD-UHFFFAOYSA-N 0 0 245.660 2.873 50 0 BFAARN CSCCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000032819608 397986279 /nfs/dbraw/zinc/98/62/79/397986279.db2.gz KDTVQBRNAXGWIK-VXGBXAGGSA-N 0 0 241.400 2.921 50 0 BFAARN CCOCCOc1ccccc1Cl ZINC000070233478 398128612 /nfs/dbraw/zinc/12/86/12/398128612.db2.gz CCHVDMWMIZUYMA-UHFFFAOYSA-N 0 0 200.665 2.755 50 0 BFAARN CC(C)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004946917 167037803 /nfs/dbraw/zinc/03/78/03/167037803.db2.gz KZRDMGPQDBXOKR-UHFFFAOYSA-N 0 0 221.344 2.727 50 0 BFAARN COC(=O)c1c(Cl)cccc1Br ZINC000002511080 173842591 /nfs/dbraw/zinc/84/25/91/173842591.db2.gz XSNZTSBNXMQBRI-UHFFFAOYSA-N 0 0 249.491 2.889 50 0 BFAARN COc1cc(C(F)(F)F)c(Cl)cc1N ZINC000306815612 487567217 /nfs/dbraw/zinc/56/72/17/487567217.db2.gz BKKXFAJNYIKDTR-UHFFFAOYSA-N 0 0 225.597 2.950 50 0 BFAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC1CC1 ZINC000022383344 410043913 /nfs/dbraw/zinc/04/39/13/410043913.db2.gz LKICRLLUOHQWDZ-VIFPVBQESA-N 0 0 236.290 2.691 50 0 BFAARN COC[C@@H](C)Nc1cccc(-c2nccn2C)c1 ZINC000097095662 410053253 /nfs/dbraw/zinc/05/32/53/410053253.db2.gz IBILHIOVZIOHPD-LLVKDONJSA-N 0 0 245.326 2.534 50 0 BFAARN Brc1ccc(-c2c[nH]cn2)cc1 ZINC000000459533 166096451 /nfs/dbraw/zinc/09/64/51/166096451.db2.gz YLIOAWKNPLJMID-UHFFFAOYSA-N 0 0 223.073 2.839 50 0 in-vitro BFAARN Brc1ccc2c(c1)OCCCO2 ZINC000004277274 166099020 /nfs/dbraw/zinc/09/90/20/166099020.db2.gz AZCHNKNSOZJHSH-UHFFFAOYSA-N 0 0 229.073 2.610 50 0 BFAARN Brc1ccc2c(c1)C1(CC1)CN2 ZINC000072482102 166099132 /nfs/dbraw/zinc/09/91/32/166099132.db2.gz ZAXSHDQOFNHDIM-UHFFFAOYSA-N 0 0 224.101 2.906 50 0 BFAARN Brc1ccc2ccncc2c1 ZINC000014982275 166099535 /nfs/dbraw/zinc/09/95/35/166099535.db2.gz KABRXLINDSPGDF-UHFFFAOYSA-N 0 0 208.058 2.997 50 0 in-vitro BFAARN Brc1cccc(-c2cc[nH]n2)c1 ZINC000002388332 166100856 /nfs/dbraw/zinc/10/08/56/166100856.db2.gz NVRXIZHZQPRBKL-UHFFFAOYSA-N 0 0 223.073 2.839 50 0 BFAARN Brc1cccc2c1CCCO2 ZINC000090550353 166101752 /nfs/dbraw/zinc/10/17/52/166101752.db2.gz LHCOEOUYRDDIJP-UHFFFAOYSA-N 0 0 213.074 2.774 50 0 BFAARN Brc1cccc([C@H]2[NH2+]CCS2)c1 ZINC000052957243 166101918 /nfs/dbraw/zinc/10/19/18/166101918.db2.gz HCHIGNRMHLIEIN-VIFPVBQESA-N 0 0 244.157 2.784 50 0 BFAARN Brc1ccccc1C1OCCCO1 ZINC000002577899 166102490 /nfs/dbraw/zinc/10/24/90/166102490.db2.gz OVXMJMKNNLOTNF-UHFFFAOYSA-N 0 0 243.100 2.885 50 0 BFAARN Brc1ccnc(-c2ccccn2)c1 ZINC000038531737 166102771 /nfs/dbraw/zinc/10/27/71/166102771.db2.gz SCOXFIBXWCCICG-UHFFFAOYSA-N 0 0 235.084 2.906 50 0 BFAARN Brc1cnc2n1CCCCCC2 ZINC000067802426 166104929 /nfs/dbraw/zinc/10/49/29/166104929.db2.gz CAZAWBMVQUOTOG-UHFFFAOYSA-N 0 0 229.121 2.762 50 0 BFAARN Brc1cncc(OCC2CC2)c1 ZINC000078766566 166105096 /nfs/dbraw/zinc/10/50/96/166105096.db2.gz MHKMTBYQYDDNFN-UHFFFAOYSA-N 0 0 228.089 2.633 50 0 BFAARN Brc1cnc2ccccc2c1 ZINC000000066081 166105159 /nfs/dbraw/zinc/10/51/59/166105159.db2.gz ZGIKWINFUGEQEO-UHFFFAOYSA-N 0 0 208.058 2.997 50 0 in-vitro BFAARN C(=C(/c1ccccc1)n1cccn1)\n1cccn1 ZINC000004127138 166225064 /nfs/dbraw/zinc/22/50/64/166225064.db2.gz QOODUESEDIFUGP-OWBHPGMISA-N 0 0 236.278 2.584 50 0 BFAARN CCN(CC)C(=O)[C@H](C)Sc1ccoc1C ZINC000131494621 169758347 /nfs/dbraw/zinc/75/83/47/169758347.db2.gz FYQWZJJAISAQBN-JTQLQIEISA-N 0 0 241.356 2.937 50 0 BFAARN CC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000005229432 166463307 /nfs/dbraw/zinc/46/33/07/166463307.db2.gz FXAGRBAPRNMVOE-UHFFFAOYSA-N 0 0 219.284 2.874 50 0 BFAARN CC(=O)c1ccccc1OC(F)(F)F ZINC000002560214 166483224 /nfs/dbraw/zinc/48/32/24/166483224.db2.gz XTXSTESGCXKUIH-UHFFFAOYSA-N 0 0 204.147 2.788 50 0 BFAARN CC(=O)c1ncc(Cl)cc1Br ZINC000091692951 166490205 /nfs/dbraw/zinc/49/02/05/166490205.db2.gz KMNWYNVTWPFJNR-UHFFFAOYSA-N 0 0 234.480 2.700 50 0 BFAARN CC(C)(C)C(=O)NCCSCc1ccco1 ZINC000096125659 166529861 /nfs/dbraw/zinc/52/98/61/166529861.db2.gz GRXZDGRUEYMPSB-UHFFFAOYSA-N 0 0 241.356 2.675 50 0 BFAARN CC(C)(C)C(=O)Nc1cnn(C2CCCC2)c1 ZINC000096502910 166535489 /nfs/dbraw/zinc/53/54/89/166535489.db2.gz SUUTVZULQGIFLR-UHFFFAOYSA-N 0 0 235.331 2.983 50 0 BFAARN CC(C)(C)CC(=O)NCCc1ccsc1 ZINC000040509560 166550162 /nfs/dbraw/zinc/55/01/62/166550162.db2.gz MATQWOXGOLSRNO-UHFFFAOYSA-N 0 0 225.357 2.843 50 0 BFAARN CC(C)(C)NC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000038567317 166620461 /nfs/dbraw/zinc/62/04/61/166620461.db2.gz HUNQOWRGKJQJLF-ZDUSSCGKSA-N 0 0 246.354 2.984 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2cc(N)ccc2C1 ZINC000004240073 166654612 /nfs/dbraw/zinc/65/46/12/166654612.db2.gz OLOIFCYZWOTWRO-UHFFFAOYSA-N 0 0 248.326 2.562 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2c(O)cccc2C1 ZINC000034936495 166655065 /nfs/dbraw/zinc/65/50/65/166655065.db2.gz HOTHBGIMLRDQNB-UHFFFAOYSA-N 0 0 249.310 2.685 50 0 BFAARN CC(C)(C)OC(=O)NCc1ccc(Cl)cn1 ZINC000071788838 166663807 /nfs/dbraw/zinc/66/38/07/166663807.db2.gz IKOORUXAVMEHTF-UHFFFAOYSA-N 0 0 242.706 2.760 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc(F)nc1F ZINC000071781392 166670316 /nfs/dbraw/zinc/67/03/16/166670316.db2.gz JOBWHDPFSNARBB-UHFFFAOYSA-N 0 0 230.214 2.707 50 0 BFAARN CC(C)(C)OC(=O)c1cccnc1Cl ZINC000038350994 166676015 /nfs/dbraw/zinc/67/60/15/166676015.db2.gz BKRYJISKTILWAE-UHFFFAOYSA-N 0 0 213.664 2.690 50 0 BFAARN CC(C)CC(=O)N[C@@H](C)Cc1cccs1 ZINC000038935398 166767014 /nfs/dbraw/zinc/76/70/14/166767014.db2.gz HSEWHWVWGVVKQS-JTQLQIEISA-N 0 0 225.357 2.841 50 0 BFAARN CC(C)CCNC(=O)N1CCc2ccccc21 ZINC000036179771 166846487 /nfs/dbraw/zinc/84/64/87/166846487.db2.gz KUSSIZFUVYVSSH-UHFFFAOYSA-N 0 0 232.327 2.805 50 0 BFAARN CC(C)CNC(=O)c1ccc(-n2cccc2)cc1 ZINC000017128267 166997033 /nfs/dbraw/zinc/99/70/33/166997033.db2.gz JMESQDNXTZKHMN-UHFFFAOYSA-N 0 0 242.322 2.863 50 0 BFAARN CN(CC(F)F)C[C@H](O)c1ccccc1Cl ZINC000103488152 410896857 /nfs/dbraw/zinc/89/68/57/410896857.db2.gz FLVHLKDWEPMJNU-JTQLQIEISA-N 0 0 249.688 2.570 50 0 BFAARN CC(C)CNc1ncnc2c(F)cccc12 ZINC000041471124 167019444 /nfs/dbraw/zinc/01/94/44/167019444.db2.gz UDAHLVSXQPQGIW-UHFFFAOYSA-N 0 0 219.263 2.837 50 0 BFAARN CC(C)NC(=O)CSCc1cccs1 ZINC000040460891 167063538 /nfs/dbraw/zinc/06/35/38/167063538.db2.gz IQIZMYUTZAQZKT-UHFFFAOYSA-N 0 0 229.370 2.506 50 0 BFAARN CC(C)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000015838036 167070193 /nfs/dbraw/zinc/07/01/93/167070193.db2.gz TZNWNPMSNVFIIV-JTQLQIEISA-N 0 0 222.288 2.535 50 0 BFAARN CC(C)NC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000002683996 167072072 /nfs/dbraw/zinc/07/20/72/167072072.db2.gz JOIQWMPLVKXVKP-UHFFFAOYSA-N 0 0 236.359 2.519 50 0 BFAARN CC(C)NC(=O)N[C@H](C)c1ccccc1F ZINC000012986645 167077830 /nfs/dbraw/zinc/07/78/30/167077830.db2.gz QTDNCRDRTIAMQB-SECBINFHSA-N 0 0 224.279 2.594 50 0 BFAARN CC(C)NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000000579791 167083626 /nfs/dbraw/zinc/08/36/26/167083626.db2.gz OFNZPEMCADZALP-VIFPVBQESA-N 0 0 241.718 2.632 50 0 BFAARN CC(C)NC(=O)c1ccc(-c2ccsc2)nc1 ZINC000064542287 167084874 /nfs/dbraw/zinc/08/48/74/167084874.db2.gz LGDHPGUHKYRKBA-UHFFFAOYSA-N 0 0 246.335 2.948 50 0 BFAARN CC(C)NC(=O)c1ccccc1-n1cccc1 ZINC000020744477 167090209 /nfs/dbraw/zinc/09/02/09/167090209.db2.gz SZPQCTCUFBXLSE-UHFFFAOYSA-N 0 0 228.295 2.616 50 0 BFAARN CC(C)Nc1ccc(F)cc1NC(=O)C1CC1 ZINC000074254827 167145572 /nfs/dbraw/zinc/14/55/72/167145572.db2.gz GASUXQAYZGXCLB-UHFFFAOYSA-N 0 0 236.290 2.995 50 0 BFAARN CC(C)OC(=O)c1c(N)sc2c1CCCC2 ZINC000000438370 167171193 /nfs/dbraw/zinc/17/11/93/167171193.db2.gz ZSGGSRFAUQJEGT-UHFFFAOYSA-N 0 0 239.340 2.774 50 0 BFAARN CC(C)OC(=O)c1c[nH]c2ccccc21 ZINC000023077067 167172130 /nfs/dbraw/zinc/17/21/30/167172130.db2.gz CWKLKSRIXHQJFG-UHFFFAOYSA-N 0 0 203.241 2.733 50 0 BFAARN CC(C)OC(=O)c1cc2ccccc2c(=O)s1 ZINC000000079327 167172897 /nfs/dbraw/zinc/17/28/97/167172897.db2.gz ULRXFROSSPCGDJ-UHFFFAOYSA-N 0 0 248.303 2.827 50 0 BFAARN CC(C)OCCC[S@@](=O)c1cccc(F)c1 ZINC000195579610 167225113 /nfs/dbraw/zinc/22/51/13/167225113.db2.gz LBLLTYGNWYNOEJ-MRXNPFEDSA-N 0 0 244.331 2.748 50 0 BFAARN CC(C)Oc1ccc(C=O)cc1Cn1cccn1 ZINC000013424678 167291420 /nfs/dbraw/zinc/29/14/20/167291420.db2.gz IPISKFFBJGWHOW-UHFFFAOYSA-N 0 0 244.294 2.531 50 0 BFAARN CC(C)Oc1ccccc1-c1nnc(N)s1 ZINC000004997805 167308846 /nfs/dbraw/zinc/30/88/46/167308846.db2.gz SDKMHCZYDJKJAB-UHFFFAOYSA-N 0 0 235.312 2.575 50 0 BFAARN CC(C)Oc1ncc(C(F)(F)F)cc1O ZINC000261494193 167314203 /nfs/dbraw/zinc/31/42/03/167314203.db2.gz RSBFFPZBXONROT-UHFFFAOYSA-N 0 0 221.178 2.593 50 0 BFAARN CC(C)Sc1nnc(NC2CC2)s1 ZINC000048395960 167338368 /nfs/dbraw/zinc/33/83/68/167338368.db2.gz NUQGIPZZGUZIQG-UHFFFAOYSA-N 0 0 215.347 2.613 50 0 BFAARN CC(C)c1ccc(N(C)C(=O)[C@@H]2CCOC2)cc1 ZINC000089893408 167602252 /nfs/dbraw/zinc/60/22/52/167602252.db2.gz TVUIYPYGVCUIHO-CYBMUJFWSA-N 0 0 247.338 2.809 50 0 BFAARN CC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000044686236 411139388 /nfs/dbraw/zinc/13/93/88/411139388.db2.gz YUVNCBVOTWCVFT-LLVKDONJSA-N 0 0 221.300 2.738 50 0 BFAARN C[C@@H](C1CC1)[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000044907015 411142202 /nfs/dbraw/zinc/14/22/02/411142202.db2.gz GDUVNPLVKHLVET-VIFPVBQESA-N 0 0 247.298 2.560 50 0 BFAARN C[C@@H](NC(=O)OCC(F)(F)F)c1ccco1 ZINC000044980549 411143087 /nfs/dbraw/zinc/14/30/87/411143087.db2.gz IDUXJFCMFFQLPY-ZCFIWIBFSA-N 0 0 237.177 2.629 50 0 BFAARN CC(C)c1nc2[nH]nc(N)c2c2c1CCCC2 ZINC000004102598 167672109 /nfs/dbraw/zinc/67/21/09/167672109.db2.gz FSLXKIINKXADSW-UHFFFAOYSA-N 0 0 230.315 2.542 50 0 BFAARN Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000008041759 411179250 /nfs/dbraw/zinc/17/92/50/411179250.db2.gz ZMBROFGXUBZSJJ-LBPRGKRZSA-N 0 0 249.354 2.985 50 0 BFAARN CC/C=C(/C)C(=O)Nc1ccc(OC)cc1 ZINC000063913712 167828956 /nfs/dbraw/zinc/82/89/56/167828956.db2.gz AESWFXQZCLGLTE-YHYXMXQVSA-N 0 0 219.284 2.990 50 0 BFAARN Cc1noc(C(C)C)c1C(=O)NC1CCCC1 ZINC000021555770 411331765 /nfs/dbraw/zinc/33/17/65/411331765.db2.gz PODGQBUSNDTFIW-UHFFFAOYSA-N 0 0 236.315 2.779 50 0 BFAARN O=C(CCc1cccc(Cl)c1)Nc1cc[nH]n1 ZINC000049449887 411260594 /nfs/dbraw/zinc/26/05/94/411260594.db2.gz BXHZGGRSKWVTHF-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN CC1(CNC(=O)NC2CCCC2)CCCC1 ZINC000066595133 168032240 /nfs/dbraw/zinc/03/22/40/168032240.db2.gz DYAPRODSFQDZBW-UHFFFAOYSA-N 0 0 224.348 2.809 50 0 BFAARN CC1=C(C)C[C@@H](CN2C(=O)CCCC2=O)CC1 ZINC000004666753 168087293 /nfs/dbraw/zinc/08/72/93/168087293.db2.gz XSGQAQRVBFMIJT-LBPRGKRZSA-N 0 0 235.327 2.662 50 0 BFAARN CC1=C(c2ccco2)CN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000253392179 168088482 /nfs/dbraw/zinc/08/84/82/168088482.db2.gz QBOJTNKCMHCVNI-RYUDHWBXSA-N 0 0 245.322 2.941 50 0 BFAARN CC1=CC[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2C1 ZINC000000218343 168118565 /nfs/dbraw/zinc/11/85/65/168118565.db2.gz LLSPPAAEVAOBTN-QWHCGFSZSA-N 0 0 247.338 2.660 50 0 BFAARN CC1=CC[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 ZINC000100395117 168119660 /nfs/dbraw/zinc/11/96/60/168119660.db2.gz ASZMUCNZOBZRBK-QWHCGFSZSA-N 0 0 241.290 2.532 50 0 BFAARN CC1=CC[C@H](C(N)=O)[C@@H](c2ccc(F)cc2)C1 ZINC000004784972 168120621 /nfs/dbraw/zinc/12/06/21/168120621.db2.gz CRWYRQUYJZNOMC-QWHCGFSZSA-N 0 0 233.286 2.751 50 0 BFAARN CC1=N/C(=C\c2ccccc2Cl)C(=O)O1 ZINC000005012560 168132691 /nfs/dbraw/zinc/13/26/91/168132691.db2.gz YLWUTHYVSMAJES-POHAHGRESA-N 0 0 221.643 2.656 50 0 BFAARN CC1=CSc2nnc(C3CCCCC3)n2N1 ZINC000000530096 168137323 /nfs/dbraw/zinc/13/73/23/168137323.db2.gz MHRYLMWIBKZLRT-UHFFFAOYSA-N 0 0 236.344 2.656 50 0 BFAARN Cc1ccc(-c2nnc3n2NC(C)=CS3)cc1 ZINC000000532405 168137618 /nfs/dbraw/zinc/13/76/18/168137618.db2.gz YVOUTIIUDVROPV-UHFFFAOYSA-N 0 0 244.323 2.583 50 0 BFAARN CC1CCC(NC(=O)c2ccccc2)CC1 ZINC000001669318 168162463 /nfs/dbraw/zinc/16/24/63/168162463.db2.gz UXQYWSNTLKDTJW-UHFFFAOYSA-N 0 0 217.312 2.995 50 0 BFAARN CC1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000000036820 168170492 /nfs/dbraw/zinc/17/04/92/168170492.db2.gz ZRCKFMCPKPWIEU-BQYQJAHWSA-N 0 0 229.323 2.958 50 0 BFAARN CC1CCN(C(=S)c2ccccc2O)CC1 ZINC000013124713 168177829 /nfs/dbraw/zinc/17/78/29/168177829.db2.gz MYTNDQBMUZXFAA-UHFFFAOYSA-N 0 0 235.352 2.800 50 0 BFAARN CC1CCN(C2=CC(=O)OC23CCCCC3)CC1 ZINC000005524009 168177884 /nfs/dbraw/zinc/17/78/84/168177884.db2.gz YKZSTNRBKXZVBP-UHFFFAOYSA-N 0 0 249.354 2.862 50 0 BFAARN CCC(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000070252785 168211102 /nfs/dbraw/zinc/21/11/02/168211102.db2.gz WJTOWVNMXZODCN-UHFFFAOYSA-N 0 0 221.344 2.680 50 0 BFAARN CCC(=O)N(Cc1ccccc1)C[C@@](C)(O)CC ZINC000189518349 168213841 /nfs/dbraw/zinc/21/38/41/168213841.db2.gz IBNXDIDYYIPIDM-HNNXBMFYSA-N 0 0 249.354 2.586 50 0 BFAARN CCC(=O)N(Cc1ccccc1)C[C@](C)(O)CC ZINC000189518336 168214081 /nfs/dbraw/zinc/21/40/81/168214081.db2.gz IBNXDIDYYIPIDM-OAHLLOKOSA-N 0 0 249.354 2.586 50 0 BFAARN CCC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000040534460 168218576 /nfs/dbraw/zinc/21/85/76/168218576.db2.gz NHOGSXSEOKVNTK-SNVBAGLBSA-N 0 0 209.314 2.822 50 0 BFAARN CCC(=O)N1CCC[C@H]1c1cc(C(C)C)on1 ZINC000064555448 168219434 /nfs/dbraw/zinc/21/94/34/168219434.db2.gz YGHHFASLYYKKPO-NSHDSACASA-N 0 0 236.315 2.872 50 0 BFAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000021787041 168220260 /nfs/dbraw/zinc/22/02/60/168220260.db2.gz IQRVMTBVEZWZPN-LBPRGKRZSA-N 0 0 243.310 2.636 50 0 BFAARN CCC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000041174396 168227020 /nfs/dbraw/zinc/22/70/20/168227020.db2.gz LWILGNIHNFUVRJ-ZDUSSCGKSA-N 0 0 247.338 2.775 50 0 BFAARN CCC(=O)NCCc1c[nH]c2cc(C)ccc12 ZINC000058225997 168230896 /nfs/dbraw/zinc/23/08/96/168230896.db2.gz IJSHZSSQVIAKJD-UHFFFAOYSA-N 0 0 230.311 2.545 50 0 BFAARN CCC(=O)N[C@H](C)c1cc(C)ccc1C ZINC000006741720 168238620 /nfs/dbraw/zinc/23/86/20/168238620.db2.gz WTLMLAAXOBPLCL-LLVKDONJSA-N 0 0 205.301 2.891 50 0 BFAARN CCC(=O)N[C@H](CC)c1ccc(OC)cc1 ZINC000070242470 168240651 /nfs/dbraw/zinc/24/06/51/168240651.db2.gz CPDGDEAXHRHURH-GFCCVEGCSA-N 0 0 221.300 2.673 50 0 BFAARN CCC(=O)Nc1cc(-c2sccc2C)[nH]n1 ZINC000058245292 168241216 /nfs/dbraw/zinc/24/12/16/168241216.db2.gz FWPBQTKCCWPRDS-UHFFFAOYSA-N 0 0 235.312 2.795 50 0 BFAARN CCC(=O)Nc1cc2c(C)cc(=O)oc2cc1C ZINC000000194526 168242228 /nfs/dbraw/zinc/24/22/28/168242228.db2.gz AXWOGEDTSIDGMM-UHFFFAOYSA-N 0 0 245.278 2.758 50 0 BFAARN CCC(=O)Nc1ccc(-c2ccncc2)c(C)n1 ZINC000032598329 168242281 /nfs/dbraw/zinc/24/22/81/168242281.db2.gz XSMAQRMNDIVKQT-UHFFFAOYSA-N 0 0 241.294 2.801 50 0 BFAARN CCC(=O)Nc1cc(OC)c(Cl)c(OC)c1 ZINC000000398551 168243309 /nfs/dbraw/zinc/24/33/09/168243309.db2.gz USKHFBDRJWEYFZ-UHFFFAOYSA-N 0 0 243.690 2.706 50 0 BFAARN CCC(=O)Nc1ccc(F)cc1Cl ZINC000008719541 168244698 /nfs/dbraw/zinc/24/46/98/168244698.db2.gz BPDVBPKRTUCFQS-UHFFFAOYSA-N 0 0 201.628 2.828 50 0 BFAARN CCC(=O)Nc1cccc(C)c1C(C)=O ZINC000157654319 168245248 /nfs/dbraw/zinc/24/52/48/168245248.db2.gz ZFXFDIXQGXAJJO-UHFFFAOYSA-N 0 0 205.257 2.546 50 0 BFAARN CCC(=O)Nc1cnc(-c2ccc(C)cc2)nc1 ZINC000064542912 168246645 /nfs/dbraw/zinc/24/66/45/168246645.db2.gz UJCWGVBSWUPZOE-UHFFFAOYSA-N 0 0 241.294 2.801 50 0 BFAARN CCC(=O)Nc1nc(-c2cccs2)ns1 ZINC000011914344 168248416 /nfs/dbraw/zinc/24/84/16/168248416.db2.gz RFHIHSIPWNEWNB-UHFFFAOYSA-N 0 0 239.325 2.615 50 0 BFAARN CCC(=O)Oc1ccc2c(C)cc(=O)oc2c1C ZINC000000449214 168251168 /nfs/dbraw/zinc/25/11/68/168251168.db2.gz ZYPIJMZFZOOYKV-UHFFFAOYSA-N 0 0 246.262 2.725 50 0 BFAARN CCC(=O)Oc1ccc2c(c1)nc(C)n2CC ZINC000000318002 168251682 /nfs/dbraw/zinc/25/16/82/168251682.db2.gz REKTZBFFXIJXHC-UHFFFAOYSA-N 0 0 232.283 2.680 50 0 BFAARN CCC(=O)c1c(C)nc2n(C)c3ccccc3n21 ZINC000000432196 168254004 /nfs/dbraw/zinc/25/40/04/168254004.db2.gz CGHKJYPBVZBXOP-UHFFFAOYSA-N 0 0 241.294 2.727 50 0 BFAARN CCC(=O)n1c2cc(C(C)(C)C)ccc2oc1=O ZINC000009528537 168258482 /nfs/dbraw/zinc/25/84/82/168258482.db2.gz XMMCLHVVPYVQRD-UHFFFAOYSA-N 0 0 247.294 2.942 50 0 BFAARN CCC(C)(C)NC(=O)CCOc1ccccc1 ZINC000040161646 168289085 /nfs/dbraw/zinc/28/90/85/168289085.db2.gz BJRMJPCHZDROLY-UHFFFAOYSA-N 0 0 235.327 2.760 50 0 BFAARN CCC(C)(C)NC(=O)c1ccc(C)s1 ZINC000032666438 168297072 /nfs/dbraw/zinc/29/70/72/168297072.db2.gz KDLWVLYODJQERV-UHFFFAOYSA-N 0 0 211.330 2.975 50 0 BFAARN CCC(C)(C)NC(=O)c1cccc(F)c1 ZINC000000619999 168297633 /nfs/dbraw/zinc/29/76/33/168297633.db2.gz SNJJYRYEILGKOE-UHFFFAOYSA-N 0 0 209.264 2.744 50 0 BFAARN CCC(C)(C)NC(=O)c1cccnc1SC ZINC000008327642 168298123 /nfs/dbraw/zinc/29/81/23/168298123.db2.gz FYYBTGCQCUJIDS-UHFFFAOYSA-N 0 0 238.356 2.722 50 0 BFAARN CCC(C)(C)c1ccc(O[C@@H](C)C(N)=O)cc1 ZINC000007813814 168305589 /nfs/dbraw/zinc/30/55/89/168305589.db2.gz GDSUKLKJVCFDGH-JTQLQIEISA-N 0 0 235.327 2.627 50 0 BFAARN CCN1CNC(=S)N([C@@H](C)c2ccccc2)C1 ZINC000020171168 170026918 /nfs/dbraw/zinc/02/69/18/170026918.db2.gz OHZVZCBIKHMPBE-NSHDSACASA-N 0 0 249.383 2.586 50 0 BFAARN CCNC(=O)C1(c2ccccc2Cl)CC1 ZINC000041511442 170043812 /nfs/dbraw/zinc/04/38/12/170043812.db2.gz ASOJMNSAQCFQOY-UHFFFAOYSA-N 0 0 223.703 2.508 50 0 BFAARN CCNC(=O)COc1ccc(Cl)cc1Cl ZINC000000408510 170067425 /nfs/dbraw/zinc/06/74/25/170067425.db2.gz WSSDNRHQSUZZFN-UHFFFAOYSA-N 0 0 248.109 2.508 50 0 BFAARN CCNC(=O)c1occc1-c1ccccc1 ZINC000048302252 170105573 /nfs/dbraw/zinc/10/55/73/170105573.db2.gz NQDHVFMKIRKGNH-UHFFFAOYSA-N 0 0 215.252 2.696 50 0 BFAARN CCNc1nc2cc(C)nn2c2ccccc21 ZINC000007717254 170177502 /nfs/dbraw/zinc/17/75/02/170177502.db2.gz UCLVJMFJNTTXPI-UHFFFAOYSA-N 0 0 226.283 2.623 50 0 BFAARN CCNc1nnc(-c2ccccc2)s1 ZINC000000309843 170178850 /nfs/dbraw/zinc/17/88/50/170178850.db2.gz UPXFLEWVKLVYFV-UHFFFAOYSA-N 0 0 205.286 2.637 50 0 BFAARN CCO/C(C)=C1/c2ccccc2N(CC)C1=O ZINC000012730082 170179326 /nfs/dbraw/zinc/17/93/26/170179326.db2.gz VKVADPZCTOTQSQ-RAXLEYEMSA-N 0 0 231.295 2.821 50 0 BFAARN CCO/C=C/c1ccc2ncncc2c1 ZINC000261506830 170179536 /nfs/dbraw/zinc/17/95/36/170179536.db2.gz BJQNFZCMQHPCSY-AATRIKPKSA-N 0 0 200.241 2.637 50 0 BFAARN CCOC(=O)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000002750578 170184240 /nfs/dbraw/zinc/18/42/40/170184240.db2.gz BUEHJMSQHIMBCE-SNVBAGLBSA-N 0 0 249.310 2.702 50 0 BFAARN CCOC(=O)C(=O)c1ccc(Cl)c(CC)c1 ZINC000086005651 170184612 /nfs/dbraw/zinc/18/46/12/170184612.db2.gz STPGNGSDZLEHAQ-UHFFFAOYSA-N 0 0 240.686 2.648 50 0 BFAARN CCOC(=O)C(C)(C)C(=O)C1CCCCC1 ZINC000041247301 170185528 /nfs/dbraw/zinc/18/55/28/170185528.db2.gz NTJAUFQEOKUBLM-UHFFFAOYSA-N 0 0 226.316 2.725 50 0 BFAARN CCOC(=O)C(CC(CC)CC)C(=O)OCC ZINC000002166645 170187933 /nfs/dbraw/zinc/18/79/33/170187933.db2.gz ZUBFQMSEODIUCT-UHFFFAOYSA-N 0 0 244.331 2.555 50 0 BFAARN CCOC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000001459228 170188201 /nfs/dbraw/zinc/18/82/01/170188201.db2.gz ZJHCNYOAUVMIOW-UHFFFAOYSA-N 0 0 226.247 2.546 50 0 BFAARN CCOC(=O)CC(=O)CCC1CCCCC1 ZINC000002518219 170193128 /nfs/dbraw/zinc/19/31/28/170193128.db2.gz CYVJFXKWPLHZTD-UHFFFAOYSA-N 0 0 226.316 2.869 50 0 BFAARN CCOC(=O)CCCC(=O)c1ccc(C)cc1 ZINC000002378883 170198507 /nfs/dbraw/zinc/19/85/07/170198507.db2.gz ZFQBLTUWFXVZLG-UHFFFAOYSA-N 0 0 234.295 2.911 50 0 BFAARN CCOC(=O)CCNc1ccc(Cl)cc1 ZINC000036671213 170210220 /nfs/dbraw/zinc/21/02/20/170210220.db2.gz YQWGCZCUTBSNQW-UHFFFAOYSA-N 0 0 227.691 2.705 50 0 BFAARN CCOC(=O)CCc1cc(Cl)cs1 ZINC000130291221 170211720 /nfs/dbraw/zinc/21/17/20/170211720.db2.gz DFEDUYFJGOSFLB-UHFFFAOYSA-N 0 0 218.705 2.897 50 0 BFAARN CCOC(=O)CN(CC)[C@H](C)c1ccccc1 ZINC000002472425 170216657 /nfs/dbraw/zinc/21/66/57/170216657.db2.gz KOZZIUOGTQUPMY-GFCCVEGCSA-N 0 0 235.327 2.633 50 0 BFAARN CCOC(=O)COc1cc(C)ccc1Cl ZINC000006655579 170228776 /nfs/dbraw/zinc/22/87/76/170228776.db2.gz XKZUKNBMNTXXOO-UHFFFAOYSA-N 0 0 228.675 2.590 50 0 BFAARN CCOC(=O)CSc1ccc(F)c(F)c1 ZINC000036961416 170230021 /nfs/dbraw/zinc/23/00/21/170230021.db2.gz LANZZGDVTAKMQL-UHFFFAOYSA-N 0 0 232.251 2.620 50 0 BFAARN CCOC(=O)N1CCO[C@H](c2ccccc2C)C1 ZINC000041395508 170239870 /nfs/dbraw/zinc/23/98/70/170239870.db2.gz AHTUEDVZTOHLLE-ZDUSSCGKSA-N 0 0 249.310 2.525 50 0 BFAARN CCOC(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000006698657 170243318 /nfs/dbraw/zinc/24/33/18/170243318.db2.gz KKLPTNTZNWNSPF-SECBINFHSA-N 0 0 223.272 2.502 50 0 BFAARN CCOC(=O)Nc1cc(Cl)ccc1OC ZINC000000400455 170244198 /nfs/dbraw/zinc/24/41/98/170244198.db2.gz CCOSBPRJSIJVIG-UHFFFAOYSA-N 0 0 229.663 2.917 50 0 BFAARN CCOC(=O)[C@@H]1CC=CC[C@H]1c1cccnc1 ZINC000000165728 170257411 /nfs/dbraw/zinc/25/74/11/170257411.db2.gz ATAHZGDGVWUBCW-QWHCGFSZSA-N 0 0 231.295 2.695 50 0 BFAARN CCOC(=O)C1=C(O)CC[C@H](C(C)(C)C)C1 ZINC000039416298 170259929 /nfs/dbraw/zinc/25/99/29/170259929.db2.gz JHTDFSYUZRZZBQ-VHSXEESVSA-N 0 0 226.316 2.581 50 0 BFAARN CCOC(=O)[C@H]1[C@@H]2c3ccccc3CC[C@H]12 ZINC000039186480 170260160 /nfs/dbraw/zinc/26/01/60/170260160.db2.gz XDYQDLVZJKAJBM-YNEHKIRRSA-N 0 0 216.280 2.526 50 0 BFAARN CCOC(=O)[C@H](Cc1ccccc1)c1ccno1 ZINC000001406281 170273608 /nfs/dbraw/zinc/27/36/08/170273608.db2.gz GOFCYRWPLKXVMI-GFCCVEGCSA-N 0 0 245.278 2.564 50 0 BFAARN CCOC(=O)C1=C(O)CC[C@H](C(C)(C)C)C1 ZINC000039416299 170282374 /nfs/dbraw/zinc/28/23/74/170282374.db2.gz JHTDFSYUZRZZBQ-UWVGGRQHSA-N 0 0 226.316 2.581 50 0 BFAARN CCOC(=O)[C@]1(C)O[C@H]1c1ccc(Cl)cc1 ZINC000000586469 170285569 /nfs/dbraw/zinc/28/55/69/170285569.db2.gz NCAJAILXFIVPSI-CMPLNLGQSA-N 0 0 240.686 2.733 50 0 BFAARN CCOC(=O)c1[nH]c2c(cc(OC)cc2C)c1C ZINC000096345923 170286588 /nfs/dbraw/zinc/28/65/88/170286588.db2.gz KOSVYBRMZXEOQQ-UHFFFAOYSA-N 0 0 247.294 2.970 50 0 BFAARN CCOC(=O)c1[nH]c(Br)c(C)c1C ZINC000040546717 170286724 /nfs/dbraw/zinc/28/67/24/170286724.db2.gz XDHPXBCAMKOXLD-UHFFFAOYSA-N 0 0 246.104 2.571 50 0 BFAARN CCOC(=O)c1[nH]c(C)c(CC)c1CC ZINC000000056725 170286835 /nfs/dbraw/zinc/28/68/35/170286835.db2.gz YXAABSBFWADBRO-UHFFFAOYSA-N 0 0 209.289 2.625 50 0 BFAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1C ZINC000000522175 170286862 /nfs/dbraw/zinc/28/68/62/170286862.db2.gz KLUPNBFUMHAPHG-UHFFFAOYSA-N 0 0 221.231 2.792 50 0 BFAARN CCOC(=O)c1c(C)onc1-c1ccc(O)cc1 ZINC000095626919 170287720 /nfs/dbraw/zinc/28/77/20/170287720.db2.gz RMSISQARGKWFFF-UHFFFAOYSA-N 0 0 247.250 2.532 50 0 BFAARN CCOC(=O)c1c(C)nc(Cl)cc1Cl ZINC000002551677 170288324 /nfs/dbraw/zinc/28/83/24/170288324.db2.gz LNIMLSAAPISOEC-UHFFFAOYSA-N 0 0 234.082 2.874 50 0 BFAARN CCOC(=O)c1c(N)[nH]c2ccc(Cl)cc21 ZINC000091692759 170289312 /nfs/dbraw/zinc/28/93/12/170289312.db2.gz AOGFIGLCLLQDIX-UHFFFAOYSA-N 0 0 238.674 2.580 50 0 BFAARN CCOC(=O)c1cc(-c2ccccc2C)[nH]n1 ZINC000071978734 170290504 /nfs/dbraw/zinc/29/05/04/170290504.db2.gz NUALAQVRUYQGTO-UHFFFAOYSA-N 0 0 230.267 2.562 50 0 BFAARN CCOC(=O)c1cc(C(C)(C)C)sc1N ZINC000002541413 170291646 /nfs/dbraw/zinc/29/16/46/170291646.db2.gz VULBATZCZZZNSX-UHFFFAOYSA-N 0 0 227.329 2.805 50 0 BFAARN CCOC(=O)c1cc(Cl)cnc1Cl ZINC000003883048 170292150 /nfs/dbraw/zinc/29/21/50/170292150.db2.gz WNYVXIWPEGGUKG-UHFFFAOYSA-N 0 0 220.055 2.565 50 0 BFAARN CCOC(=O)c1cc(Cl)cc(Cl)c1N ZINC000006463870 170292252 /nfs/dbraw/zinc/29/22/52/170292252.db2.gz VPLRCCUPLQJQDP-UHFFFAOYSA-N 0 0 234.082 2.752 50 0 BFAARN CCOC(=O)c1cc(Cl)nc(Cl)c1 ZINC000000331593 170292254 /nfs/dbraw/zinc/29/22/54/170292254.db2.gz PVPBMYSZXFNZOM-UHFFFAOYSA-N 0 0 220.055 2.565 50 0 BFAARN CCOC(=O)c1ccc(-c2cccc(C)n2)o1 ZINC000045028402 170294397 /nfs/dbraw/zinc/29/43/97/170294397.db2.gz FMEZYWRHHVIMDN-UHFFFAOYSA-N 0 0 231.251 2.827 50 0 BFAARN CCOC(=O)c1ccc(-c2cccnc2)o1 ZINC000045028407 170294597 /nfs/dbraw/zinc/29/45/97/170294597.db2.gz FHQNTOAXQGCTKH-UHFFFAOYSA-N 0 0 217.224 2.518 50 0 BFAARN CCOC(=O)c1ccc(C(F)(F)F)c(C)n1 ZINC000095708077 170295563 /nfs/dbraw/zinc/29/55/63/170295563.db2.gz JVRZFBBHNZYINP-UHFFFAOYSA-N 0 0 233.189 2.586 50 0 BFAARN CCOC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000000389982 170296540 /nfs/dbraw/zinc/29/65/40/170296540.db2.gz MHKFDKUKVCJGIN-UHFFFAOYSA-N 0 0 249.310 2.848 50 0 BFAARN CCOC(=O)c1cccc(-c2ccc(C=O)o2)c1 ZINC000002509643 170298717 /nfs/dbraw/zinc/29/87/17/170298717.db2.gz LTBBUGCIHLPXDB-UHFFFAOYSA-N 0 0 244.246 2.936 50 0 BFAARN CCOC(=O)c1ccn(-c2ccccc2)c1 ZINC000146194034 170300156 /nfs/dbraw/zinc/30/01/56/170300156.db2.gz RGCDLODOMPIIGU-UHFFFAOYSA-N 0 0 215.252 2.654 50 0 BFAARN CCOC(=O)c1cnoc1-c1ccc(F)cc1 ZINC000008700102 170304346 /nfs/dbraw/zinc/30/43/46/170304346.db2.gz NQYBPSYHDHVQJS-UHFFFAOYSA-N 0 0 235.214 2.657 50 0 BFAARN CCOC(=O)c1sc(-c2ccco2)nc1C ZINC000004294190 170310304 /nfs/dbraw/zinc/31/03/04/170310304.db2.gz VGNSNWHYLZGSMC-UHFFFAOYSA-N 0 0 237.280 2.888 50 0 BFAARN CCOC(=O)c1sc2ccc(N)cc2c1C ZINC000002566985 170310455 /nfs/dbraw/zinc/31/04/55/170310455.db2.gz HWUQWROLRSTSGZ-UHFFFAOYSA-N 0 0 235.308 2.969 50 0 BFAARN CCOC(COc1cccc(C)c1)OCC ZINC000082486334 170316507 /nfs/dbraw/zinc/31/65/07/170316507.db2.gz PZYXJNYOHASEQX-UHFFFAOYSA-N 0 0 224.300 2.773 50 0 BFAARN CCOCCCn1c2ccccc2nc1[C@@H](C)O ZINC000040163895 170386061 /nfs/dbraw/zinc/38/60/61/170386061.db2.gz BERCSAVOVTUCOX-LLVKDONJSA-N 0 0 248.326 2.516 50 0 BFAARN CCOc1cc(C)nn1-c1ccccc1 ZINC000000270749 170521223 /nfs/dbraw/zinc/52/12/23/170521223.db2.gz HIXKUHSBZQQDHA-UHFFFAOYSA-N 0 0 202.257 2.579 50 0 BFAARN CCOc1ccc(C(=O)NCC(C)C)cc1C ZINC000013582198 170537942 /nfs/dbraw/zinc/53/79/42/170537942.db2.gz ASSTWLKJHAXXBE-UHFFFAOYSA-N 0 0 235.327 2.780 50 0 BFAARN CCOc1ccc(C(C)=O)c(OCC)c1 ZINC000000105267 170539793 /nfs/dbraw/zinc/53/97/93/170539793.db2.gz HVMNBJVJMFQOOZ-UHFFFAOYSA-N 0 0 208.257 2.687 50 0 BFAARN CCOc1ccc(C=O)cc1C(F)(F)F ZINC000071398864 170540981 /nfs/dbraw/zinc/54/09/81/170540981.db2.gz NGQLIMKJXPGLBN-UHFFFAOYSA-N 0 0 218.174 2.917 50 0 BFAARN CCOc1ccc2c(C)cc(=O)oc2c1OCC ZINC000000300810 170566535 /nfs/dbraw/zinc/56/65/35/170566535.db2.gz MQEWGRPQDIUPMQ-UHFFFAOYSA-N 0 0 248.278 2.899 50 0 BFAARN CCOc1cccc(=O)c2c(C)n(C)c(C)c21 ZINC000000141877 170572609 /nfs/dbraw/zinc/57/26/09/170572609.db2.gz XXPKVYVZDYHEMD-UHFFFAOYSA-N 0 0 231.295 2.554 50 0 BFAARN CCOc1cccc(C(=O)NCc2ccco2)c1 ZINC000000452100 170573513 /nfs/dbraw/zinc/57/35/13/170573513.db2.gz HOCCOVGSVFDILW-UHFFFAOYSA-N 0 0 245.278 2.608 50 0 BFAARN CCOc1ccccc1Br ZINC000001586377 170588814 /nfs/dbraw/zinc/58/88/14/170588814.db2.gz JVEQWIQHHWNMQX-UHFFFAOYSA-N 0 0 201.063 2.848 50 0 BFAARN CCOc1ccccc1CNC(=O)C1CCCC1 ZINC000053163258 170591767 /nfs/dbraw/zinc/59/17/67/170591767.db2.gz RAMYKNJDDLLTME-UHFFFAOYSA-N 0 0 247.338 2.892 50 0 BFAARN CCOc1ccccc1NC(=O)c1ccco1 ZINC000000029989 170595212 /nfs/dbraw/zinc/59/52/12/170595212.db2.gz YZTYAZQJDFXJEW-UHFFFAOYSA-N 0 0 231.251 2.931 50 0 BFAARN CCOc1ncnc2ccc(Cl)cc21 ZINC000001593723 170604936 /nfs/dbraw/zinc/60/49/36/170604936.db2.gz ZBDPLPRMJBHVSC-UHFFFAOYSA-N 0 0 208.648 2.682 50 0 BFAARN CCSCc1ccnc(NC(=O)C(C)C)c1 ZINC000095976918 170644126 /nfs/dbraw/zinc/64/41/26/170644126.db2.gz AZWQEUCPJRBSLW-UHFFFAOYSA-N 0 0 238.356 2.929 50 0 BFAARN CCSCc1nc2cc(F)ccc2c(=O)[nH]1 ZINC000253535186 170645400 /nfs/dbraw/zinc/64/54/00/170645400.db2.gz WNXCDMUGIJGMOI-UHFFFAOYSA-N 0 0 238.287 2.728 50 0 BFAARN CCSc1cc(Cl)ccc1C(=O)NC ZINC000097141802 170653917 /nfs/dbraw/zinc/65/39/17/170653917.db2.gz JMTXSDKUGSUYDX-UHFFFAOYSA-N 0 0 229.732 2.812 50 0 BFAARN CCSc1nc2ccccc2c2nc(C)nn21 ZINC000009939949 170658321 /nfs/dbraw/zinc/65/83/21/170658321.db2.gz CCPVGWJWOWFLEG-UHFFFAOYSA-N 0 0 244.323 2.698 50 0 BFAARN CCSc1nnnn1-c1c(C)cc(C)cc1C ZINC000002871412 170658709 /nfs/dbraw/zinc/65/87/09/170658709.db2.gz UQIRJJHBOQEASA-UHFFFAOYSA-N 0 0 248.355 2.700 50 0 BFAARN CC[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000012553473 170682540 /nfs/dbraw/zinc/68/25/40/170682540.db2.gz IIXRVDVDZFZKGL-SNVBAGLBSA-N 0 0 221.300 2.988 50 0 BFAARN CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000013001588 170746097 /nfs/dbraw/zinc/74/60/97/170746097.db2.gz AORSHQLOSLDSTP-NEPJUHHUSA-N 0 0 235.327 2.677 50 0 BFAARN CC[C@@H](SC)C(=O)Nc1ncccc1Cl ZINC000097046947 170948822 /nfs/dbraw/zinc/94/88/22/170948822.db2.gz OYESOMVIJFQQST-MRVPVSSYSA-N 0 0 244.747 2.815 50 0 BFAARN CC[C@@](C)(O)[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000096319415 171187376 /nfs/dbraw/zinc/18/73/76/171187376.db2.gz WJKSDILBKCMZDO-UONOGXRCSA-N 0 0 233.311 2.649 50 0 BFAARN CC[C@H](C)C(=O)N[C@H]1CCc2ccccc21 ZINC000012983966 171254974 /nfs/dbraw/zinc/25/49/74/171254974.db2.gz VZVVFOHUCRWRDO-GWCFXTLKSA-N 0 0 217.312 2.836 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000000372610 171254987 /nfs/dbraw/zinc/25/49/87/171254987.db2.gz BUBOTXCWDHNELW-VIFPVBQESA-N 0 0 219.284 2.874 50 0 BFAARN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1ccccc1F ZINC000033468495 171311362 /nfs/dbraw/zinc/31/13/62/171311362.db2.gz SJHLZNROYFPOEM-JTQLQIEISA-N 0 0 239.290 2.511 50 0 BFAARN CC[C@H](C)NC(=O)Cc1ccc(Cl)cc1 ZINC000005719105 171328749 /nfs/dbraw/zinc/32/87/49/171328749.db2.gz SBKDDJUXPLEPDK-VIFPVBQESA-N 0 0 225.719 2.797 50 0 BFAARN CC[C@H](C)NC(=O)N[C@@H](C)c1cccc(O)c1 ZINC000065513366 171330469 /nfs/dbraw/zinc/33/04/69/171330469.db2.gz AGLJOFDWVLHCPV-UWVGGRQHSA-N 0 0 236.315 2.551 50 0 BFAARN CC[C@H](C)NC(=O)Nc1ccccc1F ZINC000000137458 171331535 /nfs/dbraw/zinc/33/15/35/171331535.db2.gz HIINMZWFGXOQJA-QMMMGPOBSA-N 0 0 210.252 2.746 50 0 BFAARN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)Nc2ccccc21 ZINC000034651206 171333075 /nfs/dbraw/zinc/33/30/75/171333075.db2.gz RMFKCPZVZSAUNM-GMXVVIOVSA-N 0 0 246.354 2.889 50 0 BFAARN CC[C@H](C)NC(=O)[C@H](C)Oc1cccc(C)c1 ZINC000014397120 171335337 /nfs/dbraw/zinc/33/53/37/171335337.db2.gz XJWYOJRJIJAQQF-RYUDHWBXSA-N 0 0 235.327 2.677 50 0 BFAARN CC[C@H](C)Nc1ccc(OC)c(OC)c1 ZINC000019908854 171349475 /nfs/dbraw/zinc/34/94/75/171349475.db2.gz ANDNTVAZWIPHII-VIFPVBQESA-N 0 0 209.289 2.914 50 0 BFAARN CC[C@H](C)Oc1cc(C=O)ccc1OC ZINC000020217386 171356135 /nfs/dbraw/zinc/35/61/35/171356135.db2.gz QUTAHKMUOGGGGW-VIFPVBQESA-N 0 0 208.257 2.685 50 0 BFAARN CC[C@H](C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000000394450 171358367 /nfs/dbraw/zinc/35/83/67/171358367.db2.gz NLMQKWIDHNGIQC-WCQYABFASA-N 0 0 219.328 2.905 50 0 BFAARN CC[C@H](C)[C@@H](CO)Nc1ccc(Cl)cn1 ZINC000095963228 171369304 /nfs/dbraw/zinc/36/93/04/171369304.db2.gz TYBNVUAADAAULD-WCBMZHEXSA-N 0 0 228.723 2.554 50 0 BFAARN CCO[C@@H](C)C(=O)NC1(c2ccccc2C)CC1 ZINC000426548827 412088368 /nfs/dbraw/zinc/08/83/68/412088368.db2.gz QJJMFCYQJODCHS-LBPRGKRZSA-N 0 0 247.338 2.525 50 0 BFAARN CC[C@H](C)c1nc2c[nH]n(CC(C)C)c-2n1 ZINC000067975439 171414376 /nfs/dbraw/zinc/41/43/76/171414376.db2.gz XEBLNEVLKBRTNN-VIFPVBQESA-N 0 0 220.320 2.929 50 0 BFAARN CCc1cc(C(=O)Nc2ccc(C)cc2)on1 ZINC000064555285 171755797 /nfs/dbraw/zinc/75/57/97/171755797.db2.gz NDWHJKMXKUJGPR-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN CCc1ccc(C(=O)N[C@H](C)CC)cc1 ZINC000019897682 171786595 /nfs/dbraw/zinc/78/65/95/171786595.db2.gz MDCLUNPPPFCRFX-SNVBAGLBSA-N 0 0 205.301 2.777 50 0 BFAARN CCc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1 ZINC000016604365 171787299 /nfs/dbraw/zinc/78/72/99/171787299.db2.gz NJHCZZOEUKTJAV-BXUZGUMPSA-N 0 0 247.338 2.546 50 0 BFAARN CCc1ccc(NC(=O)c2coc(C)n2)cc1 ZINC000022606341 171820130 /nfs/dbraw/zinc/82/01/30/171820130.db2.gz WRVTZYMSZSRFHU-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN CCc1ccc(N[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000020314969 171821947 /nfs/dbraw/zinc/82/19/47/171821947.db2.gz QRIRRYASXQSVRK-LLVKDONJSA-N 0 0 248.370 2.964 50 0 BFAARN CCc1ccc([C@H](C)NC(=O)C[C@H](C)OC)cc1 ZINC000058210425 171838031 /nfs/dbraw/zinc/83/80/31/171838031.db2.gz ADCRDQNJSQIFSC-RYUDHWBXSA-N 0 0 249.354 2.851 50 0 BFAARN CCc1cccc(C)c1NC(=O)n1ccnc1 ZINC000000402111 171853610 /nfs/dbraw/zinc/85/36/10/171853610.db2.gz SIDZFYAYWZTUEP-UHFFFAOYSA-N 0 0 229.283 2.834 50 0 BFAARN CCc1ccccc1OCC(=O)N[C@H](C)CC ZINC000000131469 171890806 /nfs/dbraw/zinc/89/08/06/171890806.db2.gz DMNYRRSCRMMRHM-LLVKDONJSA-N 0 0 235.327 2.543 50 0 BFAARN CCc1nc(C)ncc1C(=O)N[C@H](C)C(C)(C)C ZINC000096486745 171966318 /nfs/dbraw/zinc/96/63/18/171966318.db2.gz AYNSAHCLZPULCM-SECBINFHSA-N 0 0 249.358 2.512 50 0 BFAARN CCc1nc([C@@H](C)NC(=O)C2CCC2)cs1 ZINC000083830250 172000368 /nfs/dbraw/zinc/00/03/68/172000368.db2.gz NJKIBHJXHSNWLE-MRVPVSSYSA-N 0 0 238.356 2.683 50 0 BFAARN CCc1ncc(C(=O)NC(C)(C)CC)s1 ZINC000065048489 172015996 /nfs/dbraw/zinc/01/59/96/172015996.db2.gz UQQJFHLOBMBYCZ-UHFFFAOYSA-N 0 0 226.345 2.624 50 0 BFAARN CCc1nccn1CCOc1cccc(OC)c1 ZINC000095441075 172025974 /nfs/dbraw/zinc/02/59/74/172025974.db2.gz CUJLGOKKRWRQQC-UHFFFAOYSA-N 0 0 246.310 2.533 50 0 BFAARN CCc1nn2c(nnc2-c2cccc(C)c2)s1 ZINC000001018254 172045806 /nfs/dbraw/zinc/04/58/06/172045806.db2.gz UPFUOEMREQVSII-UHFFFAOYSA-N 0 0 244.323 2.724 50 0 BFAARN CCc1nnc(NC(=O)c2ccccc2C)s1 ZINC000000187498 172059145 /nfs/dbraw/zinc/05/91/45/172059145.db2.gz GUXDOZOZPOKSPV-UHFFFAOYSA-N 0 0 247.323 2.661 50 0 BFAARN CCc1nnc(NC(=O)c2cccc(C)c2)s1 ZINC000000362905 172059352 /nfs/dbraw/zinc/05/93/52/172059352.db2.gz SFLUUIRNLHUEOE-UHFFFAOYSA-N 0 0 247.323 2.661 50 0 BFAARN CCc1nnc2sc(-c3ccccc3F)nn12 ZINC000004487455 172069309 /nfs/dbraw/zinc/06/93/09/172069309.db2.gz TZCYNYSOYRRKPG-UHFFFAOYSA-N 0 0 248.286 2.554 50 0 BFAARN CCc1noc([C@@H](C)N[C@@H](C)c2ccc(C)o2)n1 ZINC000097374008 172088561 /nfs/dbraw/zinc/08/85/61/172088561.db2.gz JAAUNIKRWSKLFV-VHSXEESVSA-N 0 0 249.314 2.945 50 0 BFAARN CCc1oc2c(cccc2-n2cnnc2)c1C ZINC000065531767 172112880 /nfs/dbraw/zinc/11/28/80/172112880.db2.gz PDSYNZFOBABAFV-UHFFFAOYSA-N 0 0 227.267 2.884 50 0 BFAARN CCc1sc(C(=O)NC2CC2)cc1C ZINC000012976142 172127872 /nfs/dbraw/zinc/12/78/72/172127872.db2.gz XUHFKWLHAWHXNQ-UHFFFAOYSA-N 0 0 209.314 2.511 50 0 BFAARN CCn1c(=N)sc2c1c(OC)ccc2C ZINC000225393939 172130402 /nfs/dbraw/zinc/13/04/02/172130402.db2.gz OSXWQXAJCUMXTJ-UHFFFAOYSA-N 0 0 222.313 2.519 50 0 BFAARN CCn1c(C)c(C(=O)NC)cc1-c1ccccc1 ZINC000064551460 172130600 /nfs/dbraw/zinc/13/06/00/172130600.db2.gz JRAFPCSCMMMDDX-UHFFFAOYSA-N 0 0 242.322 2.843 50 0 BFAARN CCn1c2cccc3cccc(c32)n(CC)c1=O ZINC000000309911 172133777 /nfs/dbraw/zinc/13/37/77/172133777.db2.gz GGJMKLZRNHEOJQ-UHFFFAOYSA-N 0 0 240.306 2.996 50 0 BFAARN CCn1c(C)c(C=O)c2cc(OC)ccc21 ZINC000006677817 172134377 /nfs/dbraw/zinc/13/43/77/172134377.db2.gz SGCYPGGANRMDOS-UHFFFAOYSA-N 0 0 217.268 2.791 50 0 BFAARN CCn1c(CCc2ccccc2)n[nH]c1=S ZINC000013115219 172144842 /nfs/dbraw/zinc/14/48/42/172144842.db2.gz IHABNHSBRZLTSX-UHFFFAOYSA-N 0 0 233.340 2.746 50 0 BFAARN CCn1c(Cc2ccc(OC)cc2)n[nH]c1=S ZINC000005909234 172145453 /nfs/dbraw/zinc/14/54/53/172145453.db2.gz CSMPQKIFNWIWBE-UHFFFAOYSA-N 0 0 249.339 2.560 50 0 BFAARN CCn1c2ccccc2nc1SCCOC ZINC000057862706 172147387 /nfs/dbraw/zinc/14/73/87/172147387.db2.gz OVFMYDGJXQNJOG-UHFFFAOYSA-N 0 0 236.340 2.795 50 0 BFAARN CCn1cc(-c2cc3ccccn3c2C=O)cn1 ZINC000012399098 172148962 /nfs/dbraw/zinc/14/89/62/172148962.db2.gz YDCWJVIKCJTBET-UHFFFAOYSA-N 0 0 239.278 2.635 50 0 BFAARN CCn1c2ccccc2c2nnc(=S)[nH]c21 ZINC000000496163 172149487 /nfs/dbraw/zinc/14/94/87/172149487.db2.gz ODYFFLRTRSEWAJ-UHFFFAOYSA-N 0 0 230.296 2.662 50 0 BFAARN CCn1cc(NC(=O)c2ccc(C)c(F)c2)cn1 ZINC000058327644 172184574 /nfs/dbraw/zinc/18/45/74/172184574.db2.gz MDFPYSFSVMVJDH-UHFFFAOYSA-N 0 0 247.273 2.603 50 0 BFAARN CCn1ccc(NC(=O)c2cc(C)ccc2C)n1 ZINC000064555751 172201307 /nfs/dbraw/zinc/20/13/07/172201307.db2.gz WQXPMEHNBNLYAF-UHFFFAOYSA-N 0 0 243.310 2.772 50 0 BFAARN CCn1ccc(NC(=O)Nc2ccccc2)n1 ZINC000027929645 172201481 /nfs/dbraw/zinc/20/14/81/172201481.db2.gz FLFSROJHJAROED-UHFFFAOYSA-N 0 0 230.271 2.547 50 0 BFAARN CCn1nccc1NC(=O)Nc1ccccc1 ZINC000039625669 172275731 /nfs/dbraw/zinc/27/57/31/172275731.db2.gz VXCPRNLPDPYSLT-UHFFFAOYSA-N 0 0 230.271 2.547 50 0 BFAARN CN(C(=O)CC[C@@H]1CCCO1)C1CCCCC1 ZINC000040505785 172306028 /nfs/dbraw/zinc/30/60/28/172306028.db2.gz VKRHBOIOHICIEX-ZDUSSCGKSA-N 0 0 239.359 2.737 50 0 BFAARN CN(C(=O)C[C@@H]1C=CCC1)C1CCCC1 ZINC000032901613 172312487 /nfs/dbraw/zinc/31/24/87/172312487.db2.gz RWIDYGGSOJRYCY-LLVKDONJSA-N 0 0 207.317 2.744 50 0 BFAARN CN(C(=O)COc1ccccc1)c1ccccc1 ZINC000001749896 172313099 /nfs/dbraw/zinc/31/30/99/172313099.db2.gz YLNWLGACDSFZBG-UHFFFAOYSA-N 0 0 241.290 2.728 50 0 BFAARN CN(C(=O)OC(C)(C)C)c1ccc(O)cc1 ZINC000038056619 172325408 /nfs/dbraw/zinc/32/54/08/172325408.db2.gz OLCINQXFUANAPJ-UHFFFAOYSA-N 0 0 223.272 2.764 50 0 BFAARN CN(C(=O)c1ccc(Cl)o1)C1CCCC1 ZINC000032842137 172340025 /nfs/dbraw/zinc/34/00/25/172340025.db2.gz IRGMYTMFNILELZ-UHFFFAOYSA-N 0 0 227.691 2.948 50 0 BFAARN CN(C(=O)c1ccccc1O)C1CCCCC1 ZINC000006701058 172343746 /nfs/dbraw/zinc/34/37/46/172343746.db2.gz CZBJNAZRHZAZOF-UHFFFAOYSA-N 0 0 233.311 2.797 50 0 BFAARN CN(C(=O)c1ccco1)c1ccccc1 ZINC000000102767 172344319 /nfs/dbraw/zinc/34/43/19/172344319.db2.gz JTRXYDXSZLRHBM-UHFFFAOYSA-N 0 0 201.225 2.556 50 0 BFAARN CN(C)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000032860266 172376438 /nfs/dbraw/zinc/37/64/38/172376438.db2.gz LNVKPWPQYSQJNI-UHFFFAOYSA-N 0 0 232.736 2.515 50 0 BFAARN CN(C)C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000041566291 172378615 /nfs/dbraw/zinc/37/86/15/172378615.db2.gz PUPCDZRVDWSIKJ-UHFFFAOYSA-N 0 0 238.718 2.600 50 0 BFAARN CN(C)C(=O)Nc1cccc(Br)c1 ZINC000000398257 172382530 /nfs/dbraw/zinc/38/25/30/172382530.db2.gz BZQYHZYTUBMDPQ-UHFFFAOYSA-N 0 0 243.104 2.543 50 0 BFAARN CN(C)C(=O)Nc1ccccc1OC(F)(F)F ZINC000040477654 172382758 /nfs/dbraw/zinc/38/27/58/172382758.db2.gz FSMYFOAGQPNVKP-UHFFFAOYSA-N 0 0 248.204 2.679 50 0 BFAARN CN(C)C(=O)c1cc2cccc(Cl)c2o1 ZINC000096460735 172388165 /nfs/dbraw/zinc/38/81/65/172388165.db2.gz ZEERCLSIQKVQND-UHFFFAOYSA-N 0 0 223.659 2.788 50 0 BFAARN CN(C)C(=O)c1ccc(-c2ccc(N)cc2)cc1 ZINC000074938302 172388380 /nfs/dbraw/zinc/38/83/80/172388380.db2.gz UALKREGOHDLMRS-UHFFFAOYSA-N 0 0 240.306 2.638 50 0 BFAARN CN(C)C(=O)c1ccccc1OC1CCCC1 ZINC000071895985 172391859 /nfs/dbraw/zinc/39/18/59/172391859.db2.gz HYTGDYCLYQDEEQ-UHFFFAOYSA-N 0 0 233.311 2.710 50 0 BFAARN CN(CC1CCCCC1)C(=O)c1ccccn1 ZINC000032753010 172660913 /nfs/dbraw/zinc/66/09/13/172660913.db2.gz LSHJVWKGODWSPF-UHFFFAOYSA-N 0 0 232.327 2.734 50 0 BFAARN CN(CCSc1cnccn1)c1ccccc1 ZINC000095414711 172774140 /nfs/dbraw/zinc/77/41/40/172774140.db2.gz UHXNCLRCDMTHFQ-UHFFFAOYSA-N 0 0 245.351 2.705 50 0 BFAARN CN(Cc1ccco1)C(=O)c1cccs1 ZINC000040459792 172889099 /nfs/dbraw/zinc/88/90/99/172889099.db2.gz KACIRYGIPPFCDC-UHFFFAOYSA-N 0 0 221.281 2.613 50 0 BFAARN CN(Cc1nccs1)OCc1ccccc1 ZINC000090565531 172932426 /nfs/dbraw/zinc/93/24/26/172932426.db2.gz UHRAFICIOXNGDU-UHFFFAOYSA-N 0 0 234.324 2.707 50 0 BFAARN CN(c1ccccc1)c1ccc(C=O)cn1 ZINC000072225316 172950468 /nfs/dbraw/zinc/95/04/68/172950468.db2.gz GXGPITHNEPYNKO-UHFFFAOYSA-N 0 0 212.252 2.662 50 0 BFAARN CN1CCO[C@@]12CCCC[C@H]2Oc1ccccc1 ZINC000257356478 173104229 /nfs/dbraw/zinc/10/42/29/173104229.db2.gz IHEOZRCZMDIADV-HUUCEWRRSA-N 0 0 247.338 2.666 50 0 BFAARN CN1c2ccsc2C(=O)N2CCCCC[C@@H]12 ZINC000096511634 173208734 /nfs/dbraw/zinc/20/87/34/173208734.db2.gz SLZDUWLKTVRKDI-JTQLQIEISA-N 0 0 236.340 2.540 50 0 BFAARN CNC(=O)C1(c2cccc(C)c2)CCCC1 ZINC000069534173 173222550 /nfs/dbraw/zinc/22/25/50/173222550.db2.gz FYDAZPXRXSZHNA-UHFFFAOYSA-N 0 0 217.312 2.553 50 0 BFAARN CNC(=O)CCCc1ccc2ccccc2c1 ZINC000095986499 173243341 /nfs/dbraw/zinc/24/33/41/173243341.db2.gz GVKVGFHKANZWRY-UHFFFAOYSA-N 0 0 227.307 2.909 50 0 BFAARN CNC(=O)CCc1cccc(OC2CCCC2)c1 ZINC000067904957 173263844 /nfs/dbraw/zinc/26/38/44/173263844.db2.gz YOLXHFHXBFCDFN-UHFFFAOYSA-N 0 0 247.338 2.687 50 0 BFAARN CNC(=O)Cc1coc2ccc3ccccc3c12 ZINC000001049660 173283757 /nfs/dbraw/zinc/28/37/57/173283757.db2.gz SSKABSRYUYQILL-UHFFFAOYSA-N 0 0 239.274 2.875 50 0 BFAARN CNC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000058441296 173284671 /nfs/dbraw/zinc/28/46/71/173284671.db2.gz CSCWYUXCXRPSDF-LLVKDONJSA-N 0 0 232.327 2.627 50 0 BFAARN CNC(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000078787461 173292601 /nfs/dbraw/zinc/29/26/01/173292601.db2.gz FONILABZBMQEDU-UHFFFAOYSA-N 0 0 247.323 2.870 50 0 BFAARN CNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000098012984 173300396 /nfs/dbraw/zinc/30/03/96/173300396.db2.gz RDLJUWVBENIGFL-QWHCGFSZSA-N 0 0 217.312 2.660 50 0 BFAARN CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000000282031 173304250 /nfs/dbraw/zinc/30/42/50/173304250.db2.gz MWEKYCICKUBFGX-LURJTMIESA-N 0 0 248.109 2.507 50 0 BFAARN CNC(=O)c1ccc(-c2ccc(OC)cc2)s1 ZINC000001396899 173310170 /nfs/dbraw/zinc/31/01/70/173310170.db2.gz CBCLIHJNAKLTOA-UHFFFAOYSA-N 0 0 247.319 2.783 50 0 aggregator BFAARN CNC(=O)c1oc2c(cccc2Cl)c1C ZINC000014862069 173314525 /nfs/dbraw/zinc/31/45/25/173314525.db2.gz WNDNSRCITIFTAL-UHFFFAOYSA-N 0 0 223.659 2.754 50 0 BFAARN CNC(=S)Nc1ccccc1C(C)C ZINC000002890226 173316476 /nfs/dbraw/zinc/31/64/76/173316476.db2.gz RPPPCHIUZRCXIP-UHFFFAOYSA-N 0 0 208.330 2.726 50 0 BFAARN CNC(=S)c1c(C)onc1-c1ccccc1 ZINC000000406373 173317055 /nfs/dbraw/zinc/31/70/55/173317055.db2.gz QWJCFPFKCKKIQK-UHFFFAOYSA-N 0 0 232.308 2.545 50 0 BFAARN CNc1ccc(OC(=O)c2ccco2)cc1 ZINC000000409978 173479768 /nfs/dbraw/zinc/47/97/68/173479768.db2.gz FTQZZDNELPUTCV-UHFFFAOYSA-N 0 0 217.224 2.541 50 0 BFAARN CNc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000005156808 173484836 /nfs/dbraw/zinc/48/48/36/173484836.db2.gz BZVXMXVFNTYPBH-UHFFFAOYSA-N 0 0 248.307 2.623 50 0 BFAARN COC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000057652004 173495931 /nfs/dbraw/zinc/49/59/31/173495931.db2.gz LEXDXRCVVQYSIJ-RMKNXTFCSA-N 0 0 204.269 2.996 50 0 BFAARN COC(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000033823033 173497009 /nfs/dbraw/zinc/49/70/09/173497009.db2.gz ZQAIZQSBGPNEEN-AATRIKPKSA-N 0 0 230.185 2.892 50 0 BFAARN COC(=O)C(C)(C)Oc1ccc(C)c2c1CCC2 ZINC000000078966 173507319 /nfs/dbraw/zinc/50/73/19/173507319.db2.gz PZMPZGSDWQPHGJ-UHFFFAOYSA-N 0 0 248.322 2.814 50 0 BFAARN COC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000066276422 173516209 /nfs/dbraw/zinc/51/62/09/173516209.db2.gz LOXYXXQJXJRMDF-UHFFFAOYSA-N 0 0 224.687 2.935 50 0 BFAARN COC(=O)CCCc1nc2ccccc2s1 ZINC000000529131 173547177 /nfs/dbraw/zinc/54/71/77/173547177.db2.gz PETPIBQKDRRSJT-UHFFFAOYSA-N 0 0 235.308 2.792 50 0 BFAARN COC(=O)CSCc1cccc(Cl)c1 ZINC000006452833 173616528 /nfs/dbraw/zinc/61/65/28/173616528.db2.gz WZTWRSCKUSYLKI-UHFFFAOYSA-N 0 0 230.716 2.746 50 0 BFAARN COC(=O)[C@H](C)CSc1ccccc1 ZINC000000396237 173773601 /nfs/dbraw/zinc/77/36/01/173773601.db2.gz GLYXACFPCLUSBA-SECBINFHSA-N 0 0 210.298 2.588 50 0 BFAARN COC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000095704708 173858346 /nfs/dbraw/zinc/85/83/46/173858346.db2.gz GWVNQRONCYSVLD-UHFFFAOYSA-N 0 0 240.127 2.770 50 0 BFAARN COC(=O)c1cc(Cl)ccc1Br ZINC000001719578 173858377 /nfs/dbraw/zinc/85/83/77/173858377.db2.gz BIECSXCXIXHDBC-UHFFFAOYSA-N 0 0 249.491 2.889 50 0 BFAARN COC(=O)c1ccc2c3c(cccc31)CC2 ZINC000000141349 173891111 /nfs/dbraw/zinc/89/11/11/173891111.db2.gz SKSBXJMIJGEWBR-UHFFFAOYSA-N 0 0 212.248 2.725 50 0 BFAARN COC(=O)c1ncoc1-c1cccc(Cl)c1 ZINC000015021616 173917900 /nfs/dbraw/zinc/91/79/00/173917900.db2.gz PSEFUIFASINPKU-UHFFFAOYSA-N 0 0 237.642 2.782 50 0 BFAARN COC(=O)c1sccc1Oc1ccccc1N ZINC000000168876 173923439 /nfs/dbraw/zinc/92/34/39/173923439.db2.gz CLTFLXDIRZFCKH-UHFFFAOYSA-N 0 0 249.291 2.909 50 0 BFAARN COCCCNc1[nH]c(=S)nc2ccccc21 ZINC000008793979 174252193 /nfs/dbraw/zinc/25/21/93/174252193.db2.gz IKYCQYMIDHAOJG-UHFFFAOYSA-N 0 0 249.339 2.741 50 0 BFAARN COCCOc1ccc(F)cc1Br ZINC000019440418 174368837 /nfs/dbraw/zinc/36/88/37/174368837.db2.gz NEMFJZZSROPSIA-UHFFFAOYSA-N 0 0 249.079 2.613 50 0 BFAARN COCCSCc1nc(C)c2ccccc2n1 ZINC000089568329 174376255 /nfs/dbraw/zinc/37/62/55/174376255.db2.gz QBSZXFATAUUWND-UHFFFAOYSA-N 0 0 248.351 2.818 50 0 BFAARN COCCSCc1ncc(C)c(OC)c1C ZINC000089702211 174376738 /nfs/dbraw/zinc/37/67/38/174376738.db2.gz MMEBMRTWWUCFIN-UHFFFAOYSA-N 0 0 241.356 2.587 50 0 BFAARN COCCSc1nccn1-c1ccccc1 ZINC000040493534 174377299 /nfs/dbraw/zinc/37/72/99/174377299.db2.gz VYCZKWSKELIPEU-UHFFFAOYSA-N 0 0 234.324 2.611 50 0 BFAARN COCOc1ccccc1OC(F)(F)F ZINC000015444608 174432707 /nfs/dbraw/zinc/43/27/07/174432707.db2.gz SUFHTGIPVZIIFB-UHFFFAOYSA-N 0 0 222.162 2.568 50 0 BFAARN COC[C@@H](Cc1ccccc1)Nc1cccnc1 ZINC000095969114 174477936 /nfs/dbraw/zinc/47/79/36/174477936.db2.gz ILHRKVLYPGMUFU-OAHLLOKOSA-N 0 0 242.322 2.751 50 0 BFAARN COc1c(C=O)cccc1C(F)(F)F ZINC000016158949 174926934 /nfs/dbraw/zinc/92/69/34/174926934.db2.gz XBRULUWQNDWLMN-UHFFFAOYSA-N 0 0 204.147 2.527 50 0 BFAARN COc1c(F)cccc1Br ZINC000002541530 174932019 /nfs/dbraw/zinc/93/20/19/174932019.db2.gz RLSQPLJXDTXSCL-UHFFFAOYSA-N 0 0 205.026 2.597 50 0 BFAARN COc1cc(C(C)=O)cc(C(F)(F)F)c1 ZINC000038529820 174950941 /nfs/dbraw/zinc/95/09/41/174950941.db2.gz CHTIJVBYTQACDL-UHFFFAOYSA-N 0 0 218.174 2.917 50 0 BFAARN COc1cc(C=O)ccc1C(F)(F)F ZINC000091252083 174976929 /nfs/dbraw/zinc/97/69/29/174976929.db2.gz XIRCMFYUQKUYJZ-UHFFFAOYSA-N 0 0 204.147 2.527 50 0 BFAARN COc1cc(F)ccc1NC(=O)c1ccoc1 ZINC000025311494 174994465 /nfs/dbraw/zinc/99/44/65/174994465.db2.gz YXDRQEAUOIPKKH-UHFFFAOYSA-N 0 0 235.214 2.680 50 0 BFAARN COc1cc(F)ccc1NC(=O)NC(C)(C)C ZINC000097473143 174994544 /nfs/dbraw/zinc/99/45/44/174994544.db2.gz RBIYCHGYRJHLFL-UHFFFAOYSA-N 0 0 240.278 2.754 50 0 BFAARN COc1cc(F)ccc1NC(=O)c1occc1C ZINC000025311316 174994774 /nfs/dbraw/zinc/99/47/74/174994774.db2.gz NBXMXZQUYMNHEN-UHFFFAOYSA-N 0 0 249.241 2.988 50 0 BFAARN COc1cc(I)ccc1C ZINC000028278643 174995337 /nfs/dbraw/zinc/99/53/37/174995337.db2.gz JVKISKVALBFNFA-UHFFFAOYSA-N 0 0 248.063 2.608 50 0 BFAARN COc1cc2oc(C(C)=O)c(C)c2c(OC)c1 ZINC000036204658 175008129 /nfs/dbraw/zinc/00/81/29/175008129.db2.gz UGRNLILBIAMMGI-UHFFFAOYSA-N 0 0 234.251 2.961 50 0 BFAARN COc1cc2c(cc1Br)CCCN2 ZINC000091294486 175020241 /nfs/dbraw/zinc/02/02/41/175020241.db2.gz DGZXGWDPVYVZNP-UHFFFAOYSA-N 0 0 242.116 2.816 50 0 BFAARN COc1cc2c(cc1OC)-c1cccn1CC2 ZINC000019865822 175023251 /nfs/dbraw/zinc/02/32/51/175023251.db2.gz YVIKSMDLBYCTHL-UHFFFAOYSA-N 0 0 229.279 2.728 50 0 BFAARN COc1ccc(C=O)cc1C(F)(F)F ZINC000002572881 175086039 /nfs/dbraw/zinc/08/60/39/175086039.db2.gz UMZQFCFPWAFMRL-UHFFFAOYSA-N 0 0 204.147 2.527 50 0 BFAARN COc1cc2ccccc2c(C=O)c1OC ZINC000012956534 175027200 /nfs/dbraw/zinc/02/72/00/175027200.db2.gz VTUMHIXLEZHVEJ-UHFFFAOYSA-N 0 0 216.236 2.670 50 0 BFAARN COc1ccc(-c2cc(O)cc(O)c2)cc1 ZINC000000439914 175032089 /nfs/dbraw/zinc/03/20/89/175032089.db2.gz KEGJGQANZXEOEQ-UHFFFAOYSA-N 0 0 216.236 2.773 50 0 BFAARN COc1ccc(-c2ccc(C(=O)N(C)C)o2)cc1 ZINC000064551491 175032448 /nfs/dbraw/zinc/03/24/48/175032448.db2.gz KRVLZMPMYCUMTQ-UHFFFAOYSA-N 0 0 245.278 2.657 50 0 BFAARN COc1ccc(-c2cc[nH]c(=S)n2)cc1OC ZINC000026511192 175032555 /nfs/dbraw/zinc/03/25/55/175032555.db2.gz PVKFJIMDQZULSV-UHFFFAOYSA-N 0 0 248.307 2.823 50 0 BFAARN COc1ccc(-c2ccc(OC)cc2N)c(N)c1 ZINC000048024937 175034506 /nfs/dbraw/zinc/03/45/06/175034506.db2.gz DIFAOKDSGBXBCT-UHFFFAOYSA-N 0 0 244.294 2.535 50 0 BFAARN COc1ccc(-c2cnc(Cl)nc2)cc1 ZINC000001529105 175035907 /nfs/dbraw/zinc/03/59/07/175035907.db2.gz XASJMEVESBZEOO-UHFFFAOYSA-N 0 0 220.659 2.806 50 0 BFAARN COc1ccc(-c2ccnc(Cl)n2)cc1 ZINC000016124227 175036136 /nfs/dbraw/zinc/03/61/36/175036136.db2.gz TZERORVMIAWOMA-UHFFFAOYSA-N 0 0 220.659 2.806 50 0 BFAARN COc1ccc(-c2ccnc3ccnn32)c(F)c1 ZINC000032095618 175036384 /nfs/dbraw/zinc/03/63/84/175036384.db2.gz AVOYOTOYULFUDG-UHFFFAOYSA-N 0 0 243.241 2.544 50 0 BFAARN COc1ccc(-c2nc(N)sc2C)cc1 ZINC000004069950 175040157 /nfs/dbraw/zinc/04/01/57/175040157.db2.gz WUTXFLYFZOMYSF-UHFFFAOYSA-N 0 0 220.297 2.709 50 0 BFAARN COc1ccc(-c2ncc(C=O)s2)cc1 ZINC000002563687 175040567 /nfs/dbraw/zinc/04/05/67/175040567.db2.gz DFJPGTVCVKDDEY-UHFFFAOYSA-N 0 0 219.265 2.631 50 0 BFAARN COc1ccc(C=Cc2n[nH]c(=S)[nH]2)cc1 ZINC000017196751 175048909 /nfs/dbraw/zinc/04/89/09/175048909.db2.gz SWKAJZUQUXPLLN-DAXSKMNVSA-N 0 0 233.296 2.646 50 0 BFAARN COc1ccc(C(=O)NC(C)C)c2ccccc12 ZINC000009447103 175058822 /nfs/dbraw/zinc/05/88/22/175058822.db2.gz AZYBHKSWQHBNBH-UHFFFAOYSA-N 0 0 243.306 2.987 50 0 BFAARN COc1ccc(C(=O)Nc2cccc(C)c2)cn1 ZINC000016202856 175063978 /nfs/dbraw/zinc/06/39/78/175063978.db2.gz YECJCMXNYVSPRS-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(C(=O)c2cnccc2C)cc1 ZINC000045028986 175066649 /nfs/dbraw/zinc/06/66/49/175066649.db2.gz UPAMMZHMPLVPSQ-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1ccc(C(=O)c2ccnc(C)c2)cc1 ZINC000045038425 175067192 /nfs/dbraw/zinc/06/71/92/175067192.db2.gz DJTPBCFIMRPWGR-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1ccc(C)cc1NC(=O)[C@@H]1C[C@H]1C ZINC000005701528 175077474 /nfs/dbraw/zinc/07/74/74/175077474.db2.gz CPKOFABARXXKLF-NXEZZACHSA-N 0 0 219.284 2.598 50 0 BFAARN COc1ccc(F)cc1Cn1nc(C)cc1C ZINC000098012990 175131033 /nfs/dbraw/zinc/13/10/33/175131033.db2.gz LMNMZCHZVMXYPS-UHFFFAOYSA-N 0 0 234.274 2.696 50 0 BFAARN COc1ccc(N2Cc3ccccc3C2=O)cc1 ZINC000000351266 175140134 /nfs/dbraw/zinc/14/01/34/175140134.db2.gz XZCRJQBSQFTGQO-UHFFFAOYSA-N 0 0 239.274 2.856 50 0 BFAARN COc1ccc(NC(=O)C2CCCCC2)cn1 ZINC000007264482 175140912 /nfs/dbraw/zinc/14/09/12/175140912.db2.gz RVZFFFQVDFVZBZ-UHFFFAOYSA-N 0 0 234.299 2.609 50 0 BFAARN COc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000000396190 175144394 /nfs/dbraw/zinc/14/43/94/175144394.db2.gz ZHWTWNTUPFWISF-UHFFFAOYSA-N 0 0 246.266 2.610 50 0 BFAARN COc1ccc(NC(=O)c2ccc(O)cc2)cc1 ZINC000000049942 175147669 /nfs/dbraw/zinc/14/76/69/175147669.db2.gz BCZXCMYTRCPVQM-UHFFFAOYSA-N 0 0 243.262 2.653 50 0 BFAARN COc1ccc(NC(=O)c2ccc(C)nc2)cc1 ZINC000048304178 175147709 /nfs/dbraw/zinc/14/77/09/175147709.db2.gz DZBMNGUUZKDKME-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(NC(=O)c2ccc(C)o2)cc1 ZINC000000473452 175147722 /nfs/dbraw/zinc/14/77/22/175147722.db2.gz AODNDFMLYBTMCI-UHFFFAOYSA-N 0 0 231.251 2.849 50 0 BFAARN COc1ccc(NC(=O)c2ccoc2)cc1OC ZINC000012274754 175148737 /nfs/dbraw/zinc/14/87/37/175148737.db2.gz MDUJIIZFNIWTRR-UHFFFAOYSA-N 0 0 247.250 2.549 50 0 BFAARN COc1ccc(NC2=NC(C)(C)CS2)cc1 ZINC000003228244 175149764 /nfs/dbraw/zinc/14/97/64/175149764.db2.gz FRUWZSGHJPNFEC-UHFFFAOYSA-N 0 0 236.340 2.989 50 0 BFAARN COc1ccc(O)c(F)c1OCC(C)C ZINC000261494254 175158544 /nfs/dbraw/zinc/15/85/44/175158544.db2.gz SUMQOTNYJDFNMO-UHFFFAOYSA-N 0 0 214.236 2.575 50 0 BFAARN COc1ccc(OC)c(Nc2cc(C)ncn2)c1 ZINC000011902780 175166756 /nfs/dbraw/zinc/16/67/56/175166756.db2.gz VTFCDPNHGVEMOV-UHFFFAOYSA-N 0 0 245.282 2.546 50 0 BFAARN COc1ccc(SCCCCO)cc1 ZINC000003163030 175175368 /nfs/dbraw/zinc/17/53/68/175175368.db2.gz JCDLODPNZVUCLH-UHFFFAOYSA-N 0 0 212.314 2.560 50 0 BFAARN COc1ccc(SCc2nc(C)no2)cc1 ZINC000040049358 175175392 /nfs/dbraw/zinc/17/53/92/175175392.db2.gz HTARZWXTIZQZLN-UHFFFAOYSA-N 0 0 236.296 2.679 50 0 BFAARN COc1ccc([C@H](O)c2ccccc2)cc1 ZINC000000156185 175193888 /nfs/dbraw/zinc/19/38/88/175193888.db2.gz BEGZWXVLBIZFKQ-CQSZACIVSA-N 0 0 214.264 2.777 50 0 BFAARN COc1ccc2[nH]c3c(c2c1)[C@@H](O)CCC3 ZINC000083724498 175201968 /nfs/dbraw/zinc/20/19/68/175201968.db2.gz ODMYLJPOSLSMCB-LBPRGKRZSA-N 0 0 217.268 2.546 50 0 BFAARN COc1ccc2c(c1)[nH]cc2-c1csc(N)n1 ZINC000000533394 175202826 /nfs/dbraw/zinc/20/28/26/175202826.db2.gz VMQWROWIGUGMDA-UHFFFAOYSA-N 0 0 245.307 2.882 50 0 BFAARN COc1ccc2c(C)cc(-c3cn[nH]c3)nc2c1 ZINC000097604215 175203406 /nfs/dbraw/zinc/20/34/06/175203406.db2.gz CVXQVHASBONDLX-UHFFFAOYSA-N 0 0 239.278 2.942 50 0 BFAARN COc1ccc2c(c1)C(=O)CCCS2 ZINC000034975092 175206936 /nfs/dbraw/zinc/20/69/36/175206936.db2.gz NQMVIVKNDUWBGD-UHFFFAOYSA-N 0 0 208.282 2.764 50 0 BFAARN COc1ccc2[nH]c(-c3ccc(N)cc3)nc2c1 ZINC000005687042 175226328 /nfs/dbraw/zinc/22/63/28/175226328.db2.gz HKZKSLMDWRZRAM-UHFFFAOYSA-N 0 0 239.278 2.821 50 0 aggregator BFAARN COc1ccc2sc(N3CCCC3)nc2c1 ZINC000012230014 175231827 /nfs/dbraw/zinc/23/18/27/175231827.db2.gz NKEXCNJAAMHRIG-UHFFFAOYSA-N 0 0 234.324 2.905 50 0 BFAARN COc1cccc(-c2c[nH]c(C)n2)c1F ZINC000032576409 175233453 /nfs/dbraw/zinc/23/34/53/175233453.db2.gz RXWNOFXCFPBZCX-UHFFFAOYSA-N 0 0 206.220 2.533 50 0 BFAARN COc1cccc(-n2cc[nH]c2=S)c1 ZINC000003346439 175238348 /nfs/dbraw/zinc/23/83/48/175238348.db2.gz OYPIEMPXXPPBHS-UHFFFAOYSA-N 0 0 206.270 2.543 50 0 BFAARN COc1cccc(/C=C/c2onc(C)c2N)c1 ZINC000072324055 175240944 /nfs/dbraw/zinc/24/09/44/175240944.db2.gz TXCNMSVKXSGYMD-VOTSOKGWSA-N 0 0 230.267 2.744 50 0 biogenic BFAARN COc1cccc(C(=O)NCc2ccsc2)c1 ZINC000013698127 175245116 /nfs/dbraw/zinc/24/51/16/175245116.db2.gz HGPBJHJKQAQMAA-UHFFFAOYSA-N 0 0 247.319 2.687 50 0 BFAARN COc1cccc(C(=O)Nc2ccccc2O)c1 ZINC000009478782 175246567 /nfs/dbraw/zinc/24/65/67/175246567.db2.gz GQULMMUQHDXJKT-UHFFFAOYSA-N 0 0 243.262 2.653 50 0 BFAARN COc1cccc(C(=O)c2cc(F)ccc2F)n1 ZINC000045028755 175246926 /nfs/dbraw/zinc/24/69/26/175246926.db2.gz LGKKCFHCUISDKP-UHFFFAOYSA-N 0 0 249.216 2.599 50 0 BFAARN COc1cccc(C(=O)c2ccc(C)nc2)c1 ZINC000045029052 175247080 /nfs/dbraw/zinc/24/70/80/175247080.db2.gz LNYGTQKUVZJCDE-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1cccc(CNC(=O)/C=C/C(C)(C)C)c1 ZINC000072275268 175261148 /nfs/dbraw/zinc/26/11/48/175261148.db2.gz VAFHZVDQURQGQB-CMDGGOBGSA-N 0 0 247.338 2.914 50 0 BFAARN COc1cccc(NC(=O)C[C@H]2C=CCC2)c1 ZINC000012876825 175276051 /nfs/dbraw/zinc/27/60/51/175276051.db2.gz MPKQRJQCYOCUJN-NSHDSACASA-N 0 0 231.295 2.990 50 0 BFAARN COc1cccc(NC(=O)N2CCC[C@@H](C)C2)c1 ZINC000013048366 175276825 /nfs/dbraw/zinc/27/68/25/175276825.db2.gz GJHWBPNYAUULQF-LLVKDONJSA-N 0 0 248.326 2.959 50 0 BFAARN COc1cccc(NC(=O)c2noc(C)c2C)c1 ZINC000013641118 175278297 /nfs/dbraw/zinc/27/82/97/175278297.db2.gz AHWBHQJWCDXIHM-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1cccc(NCc2ccccn2)c1 ZINC000019964203 175278754 /nfs/dbraw/zinc/27/87/54/175278754.db2.gz TUSYFZJQDRMMQA-UHFFFAOYSA-N 0 0 214.268 2.702 50 0 BFAARN COc1cccc(OC)c1-c1cnc(C)c(C)n1 ZINC000216063142 175280965 /nfs/dbraw/zinc/28/09/65/175280965.db2.gz XSNYMNJYUCEQER-UHFFFAOYSA-N 0 0 244.294 2.778 50 0 BFAARN COc1cccc(Nc2nc(C)cc(C)n2)c1 ZINC000001953145 175281208 /nfs/dbraw/zinc/28/12/08/175281208.db2.gz AKFMGQHMEWUGAB-UHFFFAOYSA-N 0 0 229.283 2.846 50 0 BFAARN COc1cccc(Oc2ccnc(Cl)n2)c1 ZINC000040448071 175284640 /nfs/dbraw/zinc/28/46/40/175284640.db2.gz WOZRVJGVPREYBH-UHFFFAOYSA-N 0 0 236.658 2.931 50 0 BFAARN COc1cccc([C@@H](C)Nc2cnn(C)c2)c1 ZINC000035737752 175288191 /nfs/dbraw/zinc/28/81/91/175288191.db2.gz MAZGIAIJMSZOKN-SNVBAGLBSA-N 0 0 231.299 2.602 50 0 BFAARN COc1cccc([C@@H]2CCCC[C@H]2O)c1 ZINC000001765735 175289588 /nfs/dbraw/zinc/28/95/88/175289588.db2.gz MXBZVUAIQKNHIE-QWHCGFSZSA-N 0 0 206.285 2.714 50 0 BFAARN COc1cccc2c(Cl)c3c(cnn3C)nc12 ZINC000005510477 175298804 /nfs/dbraw/zinc/29/88/04/175298804.db2.gz UVKIBJUETWQCMK-UHFFFAOYSA-N 0 0 247.685 2.784 50 0 BFAARN COc1ccccc1-c1csc(NC(C)=O)n1 ZINC000004031466 175309929 /nfs/dbraw/zinc/30/99/29/175309929.db2.gz FSYIESNIOKJLPE-UHFFFAOYSA-N 0 0 248.307 2.777 50 0 BFAARN COc1ccccc1/C=C/C(=O)NC1CCCC1 ZINC000000149592 175313994 /nfs/dbraw/zinc/31/39/94/175313994.db2.gz PQUFKPLTJWOYLE-ZHACJKMWSA-N 0 0 245.322 2.767 50 0 BFAARN COc1ccccc1C(=O)N(C)c1ccccc1 ZINC000010285126 175316887 /nfs/dbraw/zinc/31/68/87/175316887.db2.gz FVWCQHOIQFNYMV-UHFFFAOYSA-N 0 0 241.290 2.972 50 0 BFAARN COc1ccccc1C(=O)N1CCCC[C@@H]1C ZINC000006253365 175317017 /nfs/dbraw/zinc/31/70/17/175317017.db2.gz UYTKRPSDYHXWAO-NSHDSACASA-N 0 0 233.311 2.710 50 0 BFAARN COc1ccccc1C(=O)N1CCCCCC1 ZINC000001466451 175317085 /nfs/dbraw/zinc/31/70/85/175317085.db2.gz JGEJLRLXBDVCEZ-UHFFFAOYSA-N 0 0 233.311 2.711 50 0 BFAARN COc1ccccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000016973421 175317247 /nfs/dbraw/zinc/31/72/47/175317247.db2.gz LZFKFZYZMJHVTQ-TXEJJXNPSA-N 0 0 247.338 2.813 50 0 BFAARN COc1ccccc1C(=O)N1CCC[C@H](C)C1 ZINC000002774332 175317772 /nfs/dbraw/zinc/31/77/72/175317772.db2.gz QMFRAISWJZVLDG-NSHDSACASA-N 0 0 233.311 2.567 50 0 BFAARN COc1ccccc1C(=O)N[C@@H](C)CC(C)C ZINC000000364086 175318077 /nfs/dbraw/zinc/31/80/77/175318077.db2.gz YNURKCXEQAQIRE-NSHDSACASA-N 0 0 235.327 2.860 50 0 BFAARN COc1ccccc1CC(=O)N(C(C)C)C(C)C ZINC000000312197 175320529 /nfs/dbraw/zinc/32/05/29/175320529.db2.gz DSXDMOWJEPOVAU-UHFFFAOYSA-N 0 0 249.354 2.883 50 0 BFAARN COc1ccccc1CC(=O)NC1CCCCC1 ZINC000003282334 175321192 /nfs/dbraw/zinc/32/11/92/175321192.db2.gz WXCCBDSYKXEYFW-UHFFFAOYSA-N 0 0 247.338 2.687 50 0 BFAARN COc1ccccc1NCC(F)(F)F ZINC000007989015 175337354 /nfs/dbraw/zinc/33/73/54/175337354.db2.gz UEHTVWWJHJAJEG-UHFFFAOYSA-N 0 0 205.179 2.669 50 0 BFAARN COc1ccccc1NC[C@@H]1CCC=CO1 ZINC000050267162 175337627 /nfs/dbraw/zinc/33/76/27/175337627.db2.gz INEDZAFRZISYQZ-NSHDSACASA-N 0 0 219.284 2.800 50 0 BFAARN COc1ccccc1[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000070621748 175349678 /nfs/dbraw/zinc/34/96/78/175349678.db2.gz KBQZELJMWJQNDG-PWSUYJOCSA-N 0 0 205.301 2.756 50 0 BFAARN COc1ccccc1[C@H](C)NC(=O)C(C)C ZINC000049940530 175351235 /nfs/dbraw/zinc/35/12/35/175351235.db2.gz WVOTZMNWSORPEZ-JTQLQIEISA-N 0 0 221.300 2.528 50 0 BFAARN COc1ccccc1[C@H]1CC(=O)Nc2n[nH]cc21 ZINC000020733923 175354029 /nfs/dbraw/zinc/35/40/29/175354029.db2.gz GCGSUVIRUQYLIF-SECBINFHSA-N 0 0 243.266 2.542 50 0 BFAARN COc1ccnc(-c2ccc(Cl)s2)n1 ZINC000067714270 175357001 /nfs/dbraw/zinc/35/70/01/175357001.db2.gz HUWMYLRTZYOEKZ-UHFFFAOYSA-N 0 0 226.688 2.867 50 0 BFAARN COc1cnc(Cl)cc1Br ZINC000038536947 175380845 /nfs/dbraw/zinc/38/08/45/175380845.db2.gz ROFQXQOLLAPAOR-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN COc1cncc(-c2ncnc3ccsc32)c1 ZINC000032590394 175382479 /nfs/dbraw/zinc/38/24/79/175382479.db2.gz TYWHKKGZGUJFKE-UHFFFAOYSA-N 0 0 243.291 2.762 50 0 BFAARN COc1cncc(-c2ccc(NC(C)=O)cc2)c1 ZINC000065409452 175382703 /nfs/dbraw/zinc/38/27/03/175382703.db2.gz MTQYWKAMRITVKS-UHFFFAOYSA-N 0 0 242.278 2.716 50 0 BFAARN COc1nc(-c2ccncc2)nc2ccccc21 ZINC000000102207 175388671 /nfs/dbraw/zinc/38/86/71/175388671.db2.gz CITNOEGVWLNGTQ-UHFFFAOYSA-N 0 0 237.262 2.700 50 0 BFAARN CSCCOC(=O)c1csc(C(C)C)n1 ZINC000095405046 175499759 /nfs/dbraw/zinc/49/97/59/175499759.db2.gz YKGMONUSXXVWEL-UHFFFAOYSA-N 0 0 245.369 2.786 50 0 BFAARN CSCCOC(=O)c1ccc(SC)o1 ZINC000096443014 175500078 /nfs/dbraw/zinc/50/00/78/175500078.db2.gz TVLFCFSKVIEHHK-UHFFFAOYSA-N 0 0 232.326 2.521 50 0 BFAARN CS[C@H]1CC[C@H](Nc2nc(C)cnc2C)C1 ZINC000195563873 175570585 /nfs/dbraw/zinc/57/05/85/175570585.db2.gz PVYSCYILDKTKRE-QWRGUYRKSA-N 0 0 237.372 2.789 50 0 BFAARN C[C@@H](Cc1ccc(Cl)cc1Cl)C(N)=O ZINC000071884528 175770604 /nfs/dbraw/zinc/77/06/04/175770604.db2.gz QKEXITWQNOWKDN-LURJTMIESA-N 0 0 232.110 2.657 50 0 BFAARN C[C@@H](Cc1ccccc1)NC(=O)C1CCC1 ZINC000000355263 175772964 /nfs/dbraw/zinc/77/29/64/175772964.db2.gz HZJJJNWTUSNFFH-NSHDSACASA-N 0 0 217.312 2.534 50 0 BFAARN C[C@@H](NC(=O)CC(C)(C)C)c1ccncc1 ZINC000012383947 175828487 /nfs/dbraw/zinc/82/84/87/175828487.db2.gz ZKXVUAPVLUKWQU-SNVBAGLBSA-N 0 0 220.316 2.695 50 0 BFAARN C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccncc1 ZINC000027406077 175832870 /nfs/dbraw/zinc/83/28/70/175832870.db2.gz IHNZUSOBQPPTOA-VXGBXAGGSA-N 0 0 230.311 2.615 50 0 BFAARN C[C@@H](O)c1c(F)cccc1Br ZINC000075852777 175998149 /nfs/dbraw/zinc/99/81/49/175998149.db2.gz JIUIEPDQCBTIEI-RXMQYKEDSA-N 0 0 219.053 2.642 50 0 BFAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(N)=O ZINC000006065880 176003610 /nfs/dbraw/zinc/00/36/10/176003610.db2.gz STCHCGPEWJVZAA-LLVKDONJSA-N 0 0 241.290 2.606 50 0 BFAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)C ZINC000045288749 176004168 /nfs/dbraw/zinc/00/41/68/176004168.db2.gz SRKTYHHXTRLRLY-LLVKDONJSA-N 0 0 249.354 2.840 50 0 BFAARN C[C@@H](Oc1ccccc1)C(=O)NC1CCCCC1 ZINC000000030426 176005689 /nfs/dbraw/zinc/00/56/89/176005689.db2.gz HXTHROHHQBSOET-GFCCVEGCSA-N 0 0 247.338 2.903 50 0 BFAARN C[C@@H](c1ccc(C(=O)[O-])o1)[NH+]1CCCCC1 ZINC000004690254 176012982 /nfs/dbraw/zinc/01/29/82/176012982.db2.gz GHIVIJCNBBEVPR-VIFPVBQESA-N 0 0 223.272 2.525 50 0 BFAARN C[C@@H](c1cccs1)N(C)C(=O)c1cc[nH]c1 ZINC000068285395 176033336 /nfs/dbraw/zinc/03/33/36/176033336.db2.gz FVJJJFJFFRVCTJ-VIFPVBQESA-N 0 0 234.324 2.909 50 0 BFAARN C[C@@H](c1nc(-c2ccccc2)n[nH]1)n1cccc1 ZINC000065529363 176036534 /nfs/dbraw/zinc/03/65/34/176036534.db2.gz ZWUZVNJQKSZOET-NSHDSACASA-N 0 0 238.294 2.883 50 0 BFAARN C[C@H]1c2cc(Br)ccc2NC1=O ZINC000100054914 176047311 /nfs/dbraw/zinc/04/73/11/176047311.db2.gz PKOFFHLFYJVUMQ-YFKPBYRVSA-N 0 0 226.073 2.505 50 0 BFAARN C[C@@H]1CC(=O)c2c(oc3ccccc3c2=O)C1 ZINC000000993464 176050745 /nfs/dbraw/zinc/05/07/45/176050745.db2.gz DBDBFLJHIBTNRK-MRVPVSSYSA-N 0 0 228.247 2.558 50 0 BFAARN C[C@@H]1CC(=O)c2c1c(Br)ccc2O ZINC000019413972 176050823 /nfs/dbraw/zinc/05/08/23/176050823.db2.gz PZKXRNOZMKHSEB-RXMQYKEDSA-N 0 0 241.084 2.845 50 0 BFAARN C[C@@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC000032747824 176067258 /nfs/dbraw/zinc/06/72/58/176067258.db2.gz DFGIGHKLPCHAPB-VXGBXAGGSA-N 0 0 207.317 2.744 50 0 BFAARN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccnc1 ZINC000032787709 176085600 /nfs/dbraw/zinc/08/56/00/176085600.db2.gz WRSZZFVMWLTOCR-DGCLKSJQSA-N 0 0 232.327 2.732 50 0 BFAARN C[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC000130445932 176091762 /nfs/dbraw/zinc/09/17/62/176091762.db2.gz AATZITGSAXRFEE-CHWSQXEVSA-N 0 0 239.359 2.594 50 0 BFAARN C[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000046869516 176092361 /nfs/dbraw/zinc/09/23/61/176092361.db2.gz FWHGDWXSBJWCQZ-CYBMUJFWSA-N 0 0 247.338 2.714 50 0 BFAARN C[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000000473886 176093160 /nfs/dbraw/zinc/09/31/60/176093160.db2.gz PLTSENDLOHFIRG-LLVKDONJSA-N 0 0 224.348 2.761 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)c2cccn2C)[C@@H]1C ZINC000032720212 176143571 /nfs/dbraw/zinc/14/35/71/176143571.db2.gz KWPRIPGEVQVWIX-UTUOFQBUSA-N 0 0 234.343 2.580 50 0 BFAARN C[C@@H]1CCOCCN1Cc1cc(F)cc(F)c1 ZINC000225463957 176189995 /nfs/dbraw/zinc/18/99/95/176189995.db2.gz XCEQOZYSWBQEOH-SNVBAGLBSA-N 0 0 241.281 2.576 50 0 BFAARN C[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2CCCS2)C1 ZINC000341951019 176197673 /nfs/dbraw/zinc/19/76/73/176197673.db2.gz UJJYIJHLRJPAHB-GMTAPVOTSA-N 0 0 227.373 2.529 50 0 BFAARN C[C@@H]1CC[C@@H](C)N1C(=O)CCC(F)(F)F ZINC000336035168 176198379 /nfs/dbraw/zinc/19/83/79/176198379.db2.gz PDYFWLBWNPVSSQ-HTQZYQBOSA-N 0 0 223.238 2.728 50 0 BFAARN C[C@@H]1CCc2[nH]c(=S)nc(C(F)(F)F)c2C1 ZINC000004124635 176240362 /nfs/dbraw/zinc/24/03/62/176240362.db2.gz RCFWBNFCTXKAOV-RXMQYKEDSA-N 0 0 248.273 2.909 50 0 BFAARN C[C@@H]1CN(C)Cc2cc(Cl)ccc2O1 ZINC000012037695 176278410 /nfs/dbraw/zinc/27/84/10/176278410.db2.gz QUDKNYKJECPHQF-MRVPVSSYSA-N 0 0 211.692 2.553 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1Cl ZINC000012979432 176384473 /nfs/dbraw/zinc/38/44/73/176384473.db2.gz MISYTIIRDFJOOG-KOLCDFICSA-N 0 0 237.730 2.954 50 0 BFAARN C[C@@H]1C[C@H](O)[C@H]2C=C(Cl)C=C[C@H]2S1 ZINC000252427699 176429808 /nfs/dbraw/zinc/42/98/08/176429808.db2.gz CDLMBTLYJNUUMV-SFKDOBOXSA-N 0 0 216.733 2.550 50 0 BFAARN C[C@@H]1Cc2cc(Br)ccc2N1 ZINC000008764201 176449791 /nfs/dbraw/zinc/44/97/91/176449791.db2.gz NSBOZWGQLGHLQZ-ZCFIWIBFSA-N 0 0 212.090 2.806 50 0 BFAARN C[C@@]12Cc3ccccc3[C@@](C)(CC(=O)O1)C2 ZINC000252537114 176550750 /nfs/dbraw/zinc/55/07/50/176550750.db2.gz KILLDLOAMKTFEJ-KBPBESRZSA-N 0 0 216.280 2.596 50 0 BFAARN C[C@H](C(=O)Nc1nccs1)c1ccccc1 ZINC000085423545 176580913 /nfs/dbraw/zinc/58/09/13/176580913.db2.gz RUWBQESMSKMVFE-VIFPVBQESA-N 0 0 232.308 2.885 50 0 BFAARN C[C@H](CC(=O)Nc1ncccn1)c1ccccc1 ZINC000000268357 176600283 /nfs/dbraw/zinc/60/02/83/176600283.db2.gz DFOGTKUCJBQVCR-LLVKDONJSA-N 0 0 241.294 2.609 50 0 BFAARN C[C@H](CCO)c1ccc(Br)cc1 ZINC000041250805 176637660 /nfs/dbraw/zinc/63/76/60/176637660.db2.gz SZZYXAIXWPKHOB-MRVPVSSYSA-N 0 0 229.117 2.935 50 0 BFAARN C[C@H](NC(=O)/C=C/c1ccc(F)cc1)C1CC1 ZINC000008356965 176785159 /nfs/dbraw/zinc/78/51/59/176785159.db2.gz GWKSMFUXOZDKGW-LLGDCAAFSA-N 0 0 233.286 2.754 50 0 BFAARN C[C@H](NC(=O)CCC1CCCC1)c1cnn(C)c1 ZINC000027919139 176790296 /nfs/dbraw/zinc/79/02/96/176790296.db2.gz ODDJJBQMXKAPCC-NSHDSACASA-N 0 0 249.358 2.568 50 0 BFAARN C[C@H](NC(=O)c1ccccc1)c1cccnc1 ZINC000032731629 176819337 /nfs/dbraw/zinc/81/93/37/176819337.db2.gz DFKUWBZCRWBFBD-NSHDSACASA-N 0 0 226.279 2.573 50 0 BFAARN C[C@H](NC(=O)c1ccsc1)c1cccnc1 ZINC000048325504 176821628 /nfs/dbraw/zinc/82/16/28/176821628.db2.gz LYVZFPRSKJQJHR-VIFPVBQESA-N 0 0 232.308 2.634 50 0 BFAARN C[C@H](NC=O)c1ccc(Cl)cc1Cl ZINC000020130224 176831241 /nfs/dbraw/zinc/83/12/41/176831241.db2.gz YSTFKRRJKIBZRK-LURJTMIESA-N 0 0 218.083 2.800 50 0 BFAARN C[C@H](NC=O)c1ccc(Cl)c(Cl)c1 ZINC000000295699 176832087 /nfs/dbraw/zinc/83/20/87/176832087.db2.gz OSRXSVSFUBKRNV-LURJTMIESA-N 0 0 218.083 2.800 50 0 BFAARN C[C@@H](SCc1cnc(Cl)s1)[C@H](C)O ZINC000121203783 177005763 /nfs/dbraw/zinc/00/57/63/177005763.db2.gz BMOHUSFVERKVPN-NTSWFWBYSA-N 0 0 237.777 2.799 50 0 BFAARN C[C@H](O)c1cccc(NC(=O)NC(C)(C)C)c1 ZINC000000398728 177017567 /nfs/dbraw/zinc/01/75/67/177017567.db2.gz GVXMYJFXAWNTIL-VIFPVBQESA-N 0 0 236.315 2.660 50 0 BFAARN C[C@H](Oc1ccccc1)c1csc(N)n1 ZINC000019089731 177024312 /nfs/dbraw/zinc/02/43/12/177024312.db2.gz IOYUQHJSBCNHPU-QMMMGPOBSA-N 0 0 220.297 2.865 50 0 BFAARN C[C@@H](O)[C@H](C)SCc1cnc(Cl)s1 ZINC000121204260 177028321 /nfs/dbraw/zinc/02/83/21/177028321.db2.gz BMOHUSFVERKVPN-RITPCOANSA-N 0 0 237.777 2.799 50 0 BFAARN C[C@H](c1ccccc1F)N(C)Cc1cnn(C)c1 ZINC000075572662 177041031 /nfs/dbraw/zinc/04/10/31/177041031.db2.gz BVWKGEBPHDILRJ-LLVKDONJSA-N 0 0 247.317 2.752 50 0 BFAARN C[C@H](c1cccs1)N(C)C(=O)C1CC1 ZINC000032841967 177049420 /nfs/dbraw/zinc/04/94/20/177049420.db2.gz MUFOTCOIISPALD-MRVPVSSYSA-N 0 0 209.314 2.678 50 0 BFAARN C[C@H]1CCCCN1C(=S)NC1CCCC1 ZINC000001123883 177073976 /nfs/dbraw/zinc/07/39/76/177073976.db2.gz MOWYTGBIFWPLLM-JTQLQIEISA-N 0 0 226.389 2.678 50 0 BFAARN C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccn1 ZINC000043046645 177081831 /nfs/dbraw/zinc/08/18/31/177081831.db2.gz RUGIGKJIFDGPIU-QWRGUYRKSA-N 0 0 233.315 2.782 50 0 BFAARN C[C@H]1CCCC[C@H]1NC(=O)Nc1ccccn1 ZINC000043046652 177087984 /nfs/dbraw/zinc/08/79/84/177087984.db2.gz RUGIGKJIFDGPIU-WDEREUQCSA-N 0 0 233.315 2.782 50 0 BFAARN C[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000000396443 177093408 /nfs/dbraw/zinc/09/34/08/177093408.db2.gz RCHWQDWKFWXBOY-NSHDSACASA-N 0 0 218.300 2.950 50 0 BFAARN C[C@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC000001460929 177095202 /nfs/dbraw/zinc/09/52/02/177095202.db2.gz BNRUHXFLAYZLRK-JTQLQIEISA-N 0 0 221.275 2.698 50 0 BFAARN C[C@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 ZINC000074933100 177095240 /nfs/dbraw/zinc/09/52/40/177095240.db2.gz HFMBNAUEMJPLTO-LBPRGKRZSA-N 0 0 246.354 2.625 50 0 BFAARN C[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000000172452 177095574 /nfs/dbraw/zinc/09/55/74/177095574.db2.gz XQMMCJOEGKKEBJ-VIFPVBQESA-N 0 0 209.314 2.620 50 0 BFAARN C[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000008730784 177100986 /nfs/dbraw/zinc/10/09/86/177100986.db2.gz FZWOQSMZYPCVNM-NSHDSACASA-N 0 0 233.311 2.617 50 0 BFAARN C[C@H]1CCCN([C@@H]2OC(=O)c3ccccc32)C1 ZINC000027662422 177103024 /nfs/dbraw/zinc/10/30/24/177103024.db2.gz JYKDZGJVWHHXFP-GXFFZTMASA-N 0 0 231.295 2.588 50 0 BFAARN C[C@@H]1CCC[C@H](C)N1C(=O)NC1CCCC1 ZINC000013328230 177116111 /nfs/dbraw/zinc/11/61/11/177116111.db2.gz YUVDGWCUBSIXBY-PHIMTYICSA-N 0 0 224.348 2.902 50 0 BFAARN C[C@H]1CCC[C@H](C)N1NC(=O)Cc1ccccc1 ZINC000007787238 177132227 /nfs/dbraw/zinc/13/22/27/177132227.db2.gz VSXLRHWWXXDYSN-STQMWFEESA-N 0 0 246.354 2.523 50 0 BFAARN C[C@H]1CCC[C@H](NC(=O)COc2ccccc2)C1 ZINC000000406709 177135163 /nfs/dbraw/zinc/13/51/63/177135163.db2.gz JBWQWECAMPHZCG-STQMWFEESA-N 0 0 247.338 2.760 50 0 BFAARN C[C@H]1CCOCCN1Cc1cc(F)cc(F)c1 ZINC000225463922 177178051 /nfs/dbraw/zinc/17/80/51/177178051.db2.gz XCEQOZYSWBQEOH-JTQLQIEISA-N 0 0 241.281 2.576 50 0 BFAARN C[C@H]1CN(Cc2c(F)cccc2F)C[C@H](C)O1 ZINC000019608805 177260693 /nfs/dbraw/zinc/26/06/93/177260693.db2.gz XEFIXQWGJMEGAL-UWVGGRQHSA-N 0 0 241.281 2.574 50 0 BFAARN C[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000023114703 177263465 /nfs/dbraw/zinc/26/34/65/177263465.db2.gz CVNSXCFVYUQSAW-UWVGGRQHSA-N 0 0 241.281 2.574 50 0 BFAARN C[C@H]1CN(c2nc3ccccc3s2)C[C@H](C)O1 ZINC000013002887 177278414 /nfs/dbraw/zinc/27/84/14/177278414.db2.gz JSTYBIGJUUNOKH-UWVGGRQHSA-N 0 0 248.351 2.910 50 0 BFAARN C[C@@H]1CN(Cc2cccc(Cl)c2)[C@@H](C)CO1 ZINC000109022659 177302244 /nfs/dbraw/zinc/30/22/44/177302244.db2.gz UEEJOQPFVHHBPB-WDEREUQCSA-N 0 0 239.746 2.949 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)CC(C)(C)C)C1 ZINC000016958085 177310665 /nfs/dbraw/zinc/31/06/65/177310665.db2.gz FOOJLMYCTOSUCR-PHIMTYICSA-N 0 0 211.349 2.927 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)Nc2cccnc2)C1 ZINC000015525024 177311416 /nfs/dbraw/zinc/31/14/16/177311416.db2.gz YVFLTQINSDMSMM-PHIMTYICSA-N 0 0 233.315 2.591 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)Nc2nccs2)C1 ZINC000042652122 177311435 /nfs/dbraw/zinc/31/14/35/177311435.db2.gz TYGHVSXSDWGKSL-DTORHVGOSA-N 0 0 239.344 2.653 50 0 BFAARN C[C@H]1C[C@H](C)CN(C(=O)COc2ccccc2)C1 ZINC000000030927 177357978 /nfs/dbraw/zinc/35/79/78/177357978.db2.gz RPIULTSCBJBBEP-STQMWFEESA-N 0 0 247.338 2.570 50 0 BFAARN C[C@H]1C[C@H]1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000012976584 177376197 /nfs/dbraw/zinc/37/61/97/177376197.db2.gz ZWSWWFLJLVFDRG-JOYOIKCWSA-N 0 0 237.730 2.954 50 0 BFAARN C[C@H]1C[C@H]1C(=O)NCc1nc2ccccc2s1 ZINC000013012711 177376799 /nfs/dbraw/zinc/37/67/99/177376799.db2.gz XOOHHYBKKRISRR-DTWKUNHWSA-N 0 0 246.335 2.569 50 0 BFAARN C[C@H]1Cc2cc(Br)ccc2C1=O ZINC000034384577 177387719 /nfs/dbraw/zinc/38/77/19/177387719.db2.gz GMWXCOYOQNIWPE-LURJTMIESA-N 0 0 225.085 2.824 50 0 BFAARN C[C@H]1Cc2cc(-c3ccno3)ccc2O1 ZINC000036367086 177387838 /nfs/dbraw/zinc/38/78/38/177387838.db2.gz KYNVBKQBBUJVNS-QMMMGPOBSA-N 0 0 201.225 2.665 50 0 BFAARN C[C@H]1Cc2cc(Br)ccc2O1 ZINC000037176591 177388315 /nfs/dbraw/zinc/38/83/15/177388315.db2.gz FEPPMMHYULGHKP-LURJTMIESA-N 0 0 213.074 2.773 50 0 BFAARN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccco1 ZINC000071894485 177390865 /nfs/dbraw/zinc/39/08/65/177390865.db2.gz WMIVYMCADBSEON-IINYFYTJSA-N 0 0 241.290 2.943 50 0 BFAARN C[C@H]1c2ccccc2O[C@@H]1C(=O)N1CCCCC1 ZINC000040584936 177438692 /nfs/dbraw/zinc/43/86/92/177438692.db2.gz SOPJKQLPXWGEQG-FZMZJTMJSA-N 0 0 245.322 2.564 50 0 BFAARN Cc1c(N)cccc1C(=O)NC1CCCCC1 ZINC000019093866 177612711 /nfs/dbraw/zinc/61/27/11/177612711.db2.gz CWCLPHOIZSZWDE-UHFFFAOYSA-N 0 0 232.327 2.640 50 0 BFAARN Cc1oc(C)c(C(=O)Nc2ccccn2)c1C ZINC000032903853 487695737 /nfs/dbraw/zinc/69/57/37/487695737.db2.gz PABGARURBGLPPB-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN C[C@H](C[C@H](C)CO)C(=O)N[C@H](C)c1ccccc1 ZINC000043763344 262790033 /nfs/dbraw/zinc/79/00/33/262790033.db2.gz TXYKIWVDOYTMFS-YNEHKIRRSA-N 0 0 249.354 2.518 50 0 BFAARN O=C(C1=CCCCC1)N1CC(CC(F)F)C1 ZINC000335500681 487819787 /nfs/dbraw/zinc/81/97/87/487819787.db2.gz FDEYEVAQTQILTG-UHFFFAOYSA-N 0 0 229.270 2.600 50 0 BFAARN CC(C)CCN(C)C(=O)c1ccc2c(c1)OCO2 ZINC000045472522 487840548 /nfs/dbraw/zinc/84/05/48/487840548.db2.gz MZXMVQKYKUETHW-UHFFFAOYSA-N 0 0 249.310 2.533 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000045601098 487846647 /nfs/dbraw/zinc/84/66/47/487846647.db2.gz REHCTCPTSJTQMA-SKDRFNHKSA-N 0 0 237.730 2.655 50 0 BFAARN Fc1cc(CNc2ncccn2)cc(F)c1F ZINC000083366669 487904545 /nfs/dbraw/zinc/90/45/45/487904545.db2.gz RXOLZQGSTKGEQR-UHFFFAOYSA-N 0 0 239.200 2.506 50 0 BFAARN COc1cccc(CNc2nccc(Cl)n2)c1 ZINC000083381831 487909193 /nfs/dbraw/zinc/90/91/93/487909193.db2.gz YCNWHWGJQGPTOP-UHFFFAOYSA-N 0 0 249.701 2.751 50 0 BFAARN CCN(C(=O)N(C)Cc1ccccc1N)C(C)C ZINC000097094602 322984094 /nfs/dbraw/zinc/98/40/94/322984094.db2.gz LJPZWESOOXBMLS-UHFFFAOYSA-N 0 0 249.358 2.551 50 0 BFAARN CC1(C)CCCN1C(=O)c1c(F)cccc1F ZINC000097100984 322984872 /nfs/dbraw/zinc/98/48/72/322984872.db2.gz YOPSAOVVKYUTGZ-UHFFFAOYSA-N 0 0 239.265 2.979 50 0 BFAARN O[C@H]1CCCC[C@H]1OCc1ccccc1 ZINC000038917029 323090632 /nfs/dbraw/zinc/09/06/32/323090632.db2.gz OZOOGFVOCPMNTN-QWHCGFSZSA-N 0 0 206.285 2.507 50 0 BFAARN COc1ccc(-c2nnc(C(C)C)s2)cn1 ZINC000534638525 323157030 /nfs/dbraw/zinc/15/70/30/323157030.db2.gz RGLBVCMZLRPZGZ-UHFFFAOYSA-N 0 0 235.312 2.732 50 0 BFAARN C[N@H+](Cc1ccc(C(=O)[O-])cn1)C1CCCCC1 ZINC000094762106 323237265 /nfs/dbraw/zinc/23/72/65/323237265.db2.gz QJUQWJXAGIAKLF-UHFFFAOYSA-N 0 0 248.326 2.544 50 0 BFAARN CCOC(=O)[C@@]1(CC=C(C)C)CCCC1=O ZINC000196883529 487970187 /nfs/dbraw/zinc/97/01/87/487970187.db2.gz BSZQQWWCHSBRCS-CYBMUJFWSA-N 0 0 224.300 2.645 50 0 BFAARN Cc1oc(C)c(C(=O)NCc2ccncc2)c1C ZINC000012537290 488010402 /nfs/dbraw/zinc/01/04/02/488010402.db2.gz BBZAIIRNHSCTLK-UHFFFAOYSA-N 0 0 244.294 2.530 50 0 BFAARN CC(C)COC[C@@H](C)NC(=O)c1cccs1 ZINC000084544418 488058306 /nfs/dbraw/zinc/05/83/06/488058306.db2.gz DPXKVNVANLJLTI-SNVBAGLBSA-N 0 0 241.356 2.539 50 0 BFAARN CN(C)C(=O)c1cccc(Oc2nccs2)c1 ZINC000075669639 488067110 /nfs/dbraw/zinc/06/71/10/488067110.db2.gz LIFLXMLWIKGRGK-UHFFFAOYSA-N 0 0 248.307 2.637 50 0 BFAARN Cc1ccc(N2NC3(CCCCC3)NC2=O)cc1 ZINC000008813033 487543372 /nfs/dbraw/zinc/54/33/72/487543372.db2.gz DYPFDPKZCGZSKK-UHFFFAOYSA-N 0 0 245.326 2.690 50 0 BFAARN Cc1nc(-c2cnn(C(C)C)c2)n(C(C)(C)C)n1 ZINC000670464110 487517366 /nfs/dbraw/zinc/51/73/66/487517366.db2.gz UOPJTGZOGZEWNY-UHFFFAOYSA-N 0 0 247.346 2.786 50 0 BFAARN C[C@@H](c1nc(-c2ccccc2)no1)n1ccnc1 ZINC000071778950 487588222 /nfs/dbraw/zinc/58/82/22/487588222.db2.gz WBUQQHHCNJKQPS-JTQLQIEISA-N 0 0 240.266 2.542 50 0 BFAARN Cn1c2ccccc2nc1C(=O)c1ccccc1 ZINC000000041751 487845365 /nfs/dbraw/zinc/84/53/65/487845365.db2.gz QFUHUTCCVCLTIX-UHFFFAOYSA-N 0 0 236.274 2.804 50 0 BFAARN O=C(Nc1ccccc1)c1ccc[nH]c1=S ZINC000014052456 488169569 /nfs/dbraw/zinc/16/95/69/488169569.db2.gz WBUBLAUPLDCCKU-UHFFFAOYSA-N 0 0 230.292 2.996 50 0 BFAARN Cc1cc(-c2nc(-c3ccsc3)no2)ncn1 ZINC000095454534 490292550 /nfs/dbraw/zinc/29/25/50/490292550.db2.gz GXVPCYHNCAYILQ-UHFFFAOYSA-N 0 0 244.279 2.564 50 0 BFAARN Cc1csc(C[S@@](=O)CC2CCCC2)n1 ZINC000097033790 490305055 /nfs/dbraw/zinc/30/50/55/490305055.db2.gz QNDQFCBNVZRNOR-OAHLLOKOSA-N 0 0 243.397 2.890 50 0 BFAARN CCc1nnc(CN2CCCc3ccccc32)o1 ZINC000012553409 491069352 /nfs/dbraw/zinc/06/93/52/491069352.db2.gz YKZCHXYSXFACQA-UHFFFAOYSA-N 0 0 243.310 2.585 50 0 BFAARN CC(C)CNC(=O)Cc1ccc(Cl)cc1F ZINC000072140710 491122468 /nfs/dbraw/zinc/12/24/68/491122468.db2.gz DFQXPTPQOZMLDK-UHFFFAOYSA-N 0 0 243.709 2.794 50 0 BFAARN CCC[C@H]1C[C@@H]1NC(=O)Nc1ccncc1F ZINC000097135943 491125420 /nfs/dbraw/zinc/12/54/20/491125420.db2.gz YXICRCWWFLHCIM-KWQFWETISA-N 0 0 237.278 2.531 50 0 BFAARN CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccncc1F ZINC000097135940 491125425 /nfs/dbraw/zinc/12/54/25/491125425.db2.gz YXICRCWWFLHCIM-KCJUWKMLSA-N 0 0 237.278 2.531 50 0 BFAARN CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1 ZINC000002856640 520663080 /nfs/dbraw/zinc/66/30/80/520663080.db2.gz XKBSFTRUJWQJAH-NEPJUHHUSA-N 0 0 235.327 2.759 50 0 BFAARN CSc1ccc(-c2cc(N(C)C)ncn2)cc1 ZINC000426414910 534179659 /nfs/dbraw/zinc/17/96/59/534179659.db2.gz YETGLCPXFHLPJL-UHFFFAOYSA-N 0 0 245.351 2.932 50 0 BFAARN C/C=C/C=C\C(=O)N1CCC[C@H]1c1cccn1C ZINC000245339332 518515303 /nfs/dbraw/zinc/51/53/03/518515303.db2.gz SCIQQHYMHQQSET-XGAUUOQBSA-N 0 0 244.338 2.821 50 0 BFAARN CC(C)(C)[C@@H]([NH2+]CC(=O)[O-])c1cccs1 ZINC000236655874 518929029 /nfs/dbraw/zinc/92/90/29/518929029.db2.gz HBFLIPNNQQTIIO-JTQLQIEISA-N 0 0 227.329 2.510 50 0 BFAARN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NC1CC1 ZINC000040456145 522871610 /nfs/dbraw/zinc/87/16/10/522871610.db2.gz HKTVAKLTWAWERQ-AWEZNQCLSA-N 0 0 247.338 2.739 50 0 BFAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@H]1C ZINC000239377877 524244916 /nfs/dbraw/zinc/24/49/16/524244916.db2.gz ODKGPKDUWUIWBK-YRGRVCCFSA-N 0 0 231.339 2.780 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)c2cccn2C)[C@H]1C ZINC000245237492 524406975 /nfs/dbraw/zinc/40/69/75/524406975.db2.gz KWPRIPGEVQVWIX-WOPDTQHZSA-N 0 0 234.343 2.580 50 0 BFAARN C[C@H]1C[N@H+](CCC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000253430141 524587824 /nfs/dbraw/zinc/58/78/24/524587824.db2.gz WZLWUSHJUJQOJR-GXTWGEPZSA-N 0 0 247.338 2.587 50 0 BFAARN C[C@H](Cc1ccccc1F)NC(=O)[C@H]1C[C@H]1C ZINC000249756983 524740276 /nfs/dbraw/zinc/74/02/76/524740276.db2.gz ILELVXDFDGCZKN-FOGDFJRCSA-N 0 0 235.302 2.529 50 0 BFAARN C[C@H](Cc1ccco1)NC(=O)C[C@@H]1C=CCC1 ZINC000040074700 524744483 /nfs/dbraw/zinc/74/44/83/524744483.db2.gz PSQFORNGHDVYMZ-VXGBXAGGSA-N 0 0 233.311 2.683 50 0 BFAARN CC(=O)Nc1ccc(NC(=O)C2CCCC2)cc1 ZINC000000363145 527006714 /nfs/dbraw/zinc/00/67/14/527006714.db2.gz FMIUBAFYPMIGKY-UHFFFAOYSA-N 0 0 246.310 2.774 50 0 BFAARN CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000000444351 528436221 /nfs/dbraw/zinc/43/62/21/528436221.db2.gz CEPWURRBYKEHIZ-UHFFFAOYSA-N 0 0 213.664 2.697 50 0 BFAARN CCCC[C@@H]1C=CCN1C(=O)Cc1ccccn1 ZINC000067688375 534942619 /nfs/dbraw/zinc/94/26/19/534942619.db2.gz PCIXSXMPXJSXOG-CQSZACIVSA-N 0 0 244.338 2.581 50 0 BFAARN CC(C)N1CCCc2cc(C=O)ccc21 ZINC000002559706 535180157 /nfs/dbraw/zinc/18/01/57/535180157.db2.gz ARIVOFOKXXHVJN-UHFFFAOYSA-N 0 0 203.285 2.660 50 0 BFAARN CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC ZINC000004654657 574412360 /nfs/dbraw/zinc/41/23/60/574412360.db2.gz GEWDNTWNSAZUDX-WQMVXFAESA-N 0 0 224.300 2.501 50 0 endogenous,in-man BFAARN O=C(CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000146090948 582593825 /nfs/dbraw/zinc/59/38/25/582593825.db2.gz VKUNLAZXIJUIDC-UHFFFAOYSA-N 0 0 233.145 2.730 50 0 BFAARN CC[C@H]1CCC(O)=C(C(=O)C(C)(C)C)C1 ZINC000043651541 582805679 /nfs/dbraw/zinc/80/56/79/582805679.db2.gz QVYXQKLUNDWERF-UWVGGRQHSA-N 0 0 210.317 2.997 50 0 BFAARN C=CC(=O)NC[C@H]1C[C@]12CCCc1ccccc12 ZINC000888102153 583181826 /nfs/dbraw/zinc/18/18/26/583181826.db2.gz IWRZTNVTIBVOAG-CZUORRHYSA-N 0 0 241.334 2.583 50 0 BFAARN C=CC(=O)NC[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000888102151 583181900 /nfs/dbraw/zinc/18/19/00/583181900.db2.gz IWRZTNVTIBVOAG-BBRMVZONSA-N 0 0 241.334 2.583 50 0 BFAARN CC(C)C[C@@H](C(=O)N1CCCC1)n1cccc1 ZINC000888104768 583185031 /nfs/dbraw/zinc/18/50/31/583185031.db2.gz LYTYYZNYCFVXBQ-ZDUSSCGKSA-N 0 0 234.343 2.698 50 0 BFAARN Clc1nc(Cc2cccs2)ns1 ZINC000071787772 585167625 /nfs/dbraw/zinc/16/76/25/585167625.db2.gz VHOCLEAGOMBKDR-UHFFFAOYSA-N 0 0 216.718 2.844 50 0 BFAARN COc1ccc(-c2ccc(C=O)o2)c(OC)c1 ZINC000102300881 587825142 /nfs/dbraw/zinc/82/51/42/587825142.db2.gz QDJNCIHFRMHXIP-UHFFFAOYSA-N 0 0 232.235 2.776 50 0 BFAARN C=CC(=O)N1CCC[C@]1(C)Cc1ccccc1F ZINC000863971202 589330114 /nfs/dbraw/zinc/33/01/14/589330114.db2.gz ISHRJUJQECUELM-OAHLLOKOSA-N 0 0 247.313 2.935 50 0 BFAARN C=CC(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000863971024 589330343 /nfs/dbraw/zinc/33/03/43/589330343.db2.gz BMZZKKLLHGZDSE-UHFFFAOYSA-N 0 0 229.323 2.753 50 0 BFAARN C=CC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000863971566 589330460 /nfs/dbraw/zinc/33/04/60/589330460.db2.gz YXVSWUFTVQHGGL-DGCLKSJQSA-N 0 0 233.286 2.764 50 0 BFAARN C=CC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000863971386 589330647 /nfs/dbraw/zinc/33/06/47/589330647.db2.gz QZPSTAIWTALKPD-ZNMIVQPWSA-N 0 0 241.334 2.967 50 0 BFAARN C=CC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000863971385 589330791 /nfs/dbraw/zinc/33/07/91/589330791.db2.gz QZPSTAIWTALKPD-RRFJBIMHSA-N 0 0 241.334 2.967 50 0 BFAARN C=CC(=O)NCCn1ccc2cc(Cl)ccc21 ZINC000863971357 589330803 /nfs/dbraw/zinc/33/08/03/589330803.db2.gz QDXYZCGGZPDJDS-UHFFFAOYSA-N 0 0 248.713 2.597 50 0 BFAARN C=CC(=O)NCc1oc2ccc(F)cc2c1C ZINC000863971397 589330808 /nfs/dbraw/zinc/33/08/08/589330808.db2.gz ROTIACSXUPPQJS-UHFFFAOYSA-N 0 0 233.242 2.683 50 0 BFAARN CC1(CNc2ccc3occc3c2)COC1 ZINC000864032064 589333971 /nfs/dbraw/zinc/33/39/71/589333971.db2.gz CDLVMYLZSPAOOE-UHFFFAOYSA-N 0 0 217.268 2.881 50 0 BFAARN O=Cc1cccc(-c2ccncc2F)c1 ZINC000157500938 632436565 /nfs/dbraw/zinc/43/65/65/632436565.db2.gz LRCSAHXMQCQFKN-UHFFFAOYSA-N 0 0 201.200 2.700 50 0 BFAARN O=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000299805562 635892289 /nfs/dbraw/zinc/89/22/89/635892289.db2.gz VARHAIHELAQXFC-AWEZNQCLSA-N 0 0 215.296 2.555 50 0 BFAARN C=CC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000888093345 635364350 /nfs/dbraw/zinc/36/43/50/635364350.db2.gz IMMXQUSJBVNLBI-HZMBPMFUSA-N 0 0 233.286 2.921 50 0 BFAARN C=CC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000888098434 635375606 /nfs/dbraw/zinc/37/56/06/635375606.db2.gz FRDLTZFWPWEWNI-QMMMGPOBSA-N 0 0 233.242 2.935 50 0 BFAARN O=C1CCOc2ccc(-c3cccnc3)cc21 ZINC000299804072 635891862 /nfs/dbraw/zinc/89/18/62/635891862.db2.gz WSFAZNSVWIJWEW-UHFFFAOYSA-N 0 0 225.247 2.714 50 0 BFAARN O[C@@H]1CCCC[C@@H]1N1CCCc2ccccc21 ZINC000225110604 640663074 /nfs/dbraw/zinc/66/30/74/640663074.db2.gz YYBGJBFHLQOMBN-LSDHHAIUSA-N 0 0 231.339 2.743 50 0 BFAARN CN(C[C@@H]1CCCCO1)c1ccc2cc[nH]c2n1 ZINC000072149108 641201414 /nfs/dbraw/zinc/20/14/14/641201414.db2.gz JAAKXBBXTVGYCC-LBPRGKRZSA-N 0 0 245.326 2.568 50 0 BFAARN O=C1CC[C@@]2(c3ccccc3)CCCC[C@H]2N1 ZINC000022339824 641205067 /nfs/dbraw/zinc/20/50/67/641205067.db2.gz XYFGEZKHSOPVRG-UKRRQHHQSA-N 0 0 229.323 2.777 50 0 BFAARN Cc1ccc(C=Cc2n[nH]c(=S)[nH]2)o1 ZINC000048520855 641692193 /nfs/dbraw/zinc/69/21/93/641692193.db2.gz YDNYUEONBNKKRC-PLNGDYQASA-N 0 0 207.258 2.539 50 0 BFAARN CS/C=C/C(=O)N(C)[C@H](C)c1ccco1 ZINC000075107581 641744075 /nfs/dbraw/zinc/74/40/75/641744075.db2.gz WZYQEFOBYBZVEP-BNICOGTQSA-N 0 0 225.313 2.676 50 0 BFAARN COc1cc(C=NNc2ccccc2)ccc1O ZINC000254483302 642725731 /nfs/dbraw/zinc/72/57/31/642725731.db2.gz BYJHTDOYXMLKFQ-UHFFFAOYSA-N 0 0 242.278 2.847 50 0 BFAARN CCc1ccc(-c2ncccc2O)cc1N ZINC000000186224 642750133 /nfs/dbraw/zinc/75/01/33/642750133.db2.gz QJTPCMSEKPTMHQ-UHFFFAOYSA-N 0 0 214.268 2.599 50 0 BFAARN Cc1cc(C)n(CNc2ccc(F)cc2)n1 ZINC000000236015 642762723 /nfs/dbraw/zinc/76/27/23/642762723.db2.gz CSWZAPGOLPQUJR-UHFFFAOYSA-N 0 0 219.263 2.709 50 0 BFAARN C[C@H](CCCC(C)(C)O)C[C@@H]1OC[C@@H](C)O1 ZINC000016511188 642977004 /nfs/dbraw/zinc/97/70/04/642977004.db2.gz AKZXNDJMPSPJQM-IJLUTSLNSA-N 0 0 230.348 2.715 50 0 BFAARN Cc1ccc(/C=C2/SCOC2=O)cc1 ZINC000022205924 643539354 /nfs/dbraw/zinc/53/93/54/643539354.db2.gz VWCBWPRWDRZAMR-UXBLZVDNSA-N 0 0 206.266 2.583 50 0 BFAARN Cc1cc(Cl)n(Cc2ccccc2)n1 ZINC000085018600 643680302 /nfs/dbraw/zinc/68/03/02/643680302.db2.gz FQZVIUSXRWPHLV-UHFFFAOYSA-N 0 0 206.676 2.893 50 0 BFAARN C/C=C(/C)C(=O)NCc1ccc(C)cc1 ZINC000079026729 644144853 /nfs/dbraw/zinc/14/48/53/644144853.db2.gz QGFVAPUTEFBIPL-WCIBSUBMSA-N 0 0 203.285 2.577 50 0 BFAARN c1cc(NCc2ccc3c(c2)OCCO3)ns1 ZINC000952992887 644449314 /nfs/dbraw/zinc/44/93/14/644449314.db2.gz FQHNGUIJHQDRGC-UHFFFAOYSA-N 0 0 248.307 2.526 50 0 BFAARN CNC(=O)c1cc2ccc(Cl)cc2nc1C ZINC000032796726 644527465 /nfs/dbraw/zinc/52/74/65/644527465.db2.gz QLTVNWZIJPOCCM-UHFFFAOYSA-N 0 0 234.686 2.556 50 0 BFAARN CC(=O)CCc1c(C)c2cccc(C)c2[nH]c1=O ZINC000008772850 645495613 /nfs/dbraw/zinc/49/56/13/645495613.db2.gz ZBQQMRRWZNQLOE-UHFFFAOYSA-N 0 0 243.306 2.667 50 0 BFAARN Nc1cncc(-n2cnc(-c3ccccc3)c2)c1 ZINC000065373616 711501672 /nfs/dbraw/zinc/50/16/72/711501672.db2.gz OCDGVGLVRITCDM-UHFFFAOYSA-N 0 0 236.278 2.517 50 0 BFAARN C[C@@H]1CCC(=O)C[C@@H]1OCc1ccco1 ZINC000725359207 711663946 /nfs/dbraw/zinc/66/39/46/711663946.db2.gz CFXRZHPGMXGUEQ-SKDRFNHKSA-N 0 0 208.257 2.554 50 0 BFAARN C[C@H]1CCC(=O)C[C@H]1OCC1CCCC1 ZINC000725363096 711664348 /nfs/dbraw/zinc/66/43/48/711664348.db2.gz XXIPUXAQWDOMNZ-GXFFZTMASA-N 0 0 210.317 2.951 50 0 BFAARN CCC[C@H]1CCC(=O)C[C@H]1n1cccn1 ZINC000725360898 711664336 /nfs/dbraw/zinc/66/43/36/711664336.db2.gz KXQOGFZWZWWHDL-CMPLNLGQSA-N 0 0 206.289 2.594 50 0 BFAARN C[C@@H]1CCC(=O)C[C@@H]1Oc1ccccc1 ZINC000725362984 711664462 /nfs/dbraw/zinc/66/44/62/711664462.db2.gz WKIIXDFFDFBOQZ-MFKMUULPSA-N 0 0 204.269 2.823 50 0 BFAARN C[C@@H]1CCC(=O)C[C@@H]1OCC1CCCC1 ZINC000725363097 711664578 /nfs/dbraw/zinc/66/45/78/711664578.db2.gz XXIPUXAQWDOMNZ-MFKMUULPSA-N 0 0 210.317 2.951 50 0 BFAARN CC1(C)CCCC(C)(C)[NH+]1C1CC(C(=O)[O-])C1 ZINC000725377621 711664763 /nfs/dbraw/zinc/66/47/63/711664763.db2.gz UZYPNEADNULCFG-UHFFFAOYSA-N 0 0 239.359 2.893 50 0 BFAARN O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000005047005 711741579 /nfs/dbraw/zinc/74/15/79/711741579.db2.gz ZSUYQQXHXRVFQC-VIFPVBQESA-N 0 0 248.134 2.855 50 0 BFAARN Cc1cc2n(n1)S[C@H](Nc1ccc(C)cc1)N2 ZINC000006966329 711766140 /nfs/dbraw/zinc/76/61/40/711766140.db2.gz VLLYYAUZYOOPRP-GFCCVEGCSA-N 0 0 246.339 2.817 50 0 BFAARN C/C=C/COC(=O)c1ccc2c(c1)OCCCO2 ZINC000084136271 711810953 /nfs/dbraw/zinc/81/09/53/711810953.db2.gz KKVJWRONTKTGSX-NSCUHMNNSA-N 0 0 248.278 2.581 50 0 BFAARN O=c1[nH]cccc1-c1cnc2ccccc2c1 ZINC000065530073 712651827 /nfs/dbraw/zinc/65/18/27/712651827.db2.gz XSYQAVYBSVRFNC-UHFFFAOYSA-N 0 0 222.247 2.590 50 0 BFAARN Cc1[nH]nc(C(F)(F)F)c1-c1ccncc1 ZINC000952868651 974053099 /nfs/dbraw/zinc/05/30/99/974053099.db2.gz QXPCMNXCQNBCBQ-UHFFFAOYSA-N 0 0 227.189 2.799 50 0 BFAARN CC[C@@H](Nc1cc(C)nc(C)n1)c1nc(C)c[nH]1 ZINC000585092452 972132127 /nfs/dbraw/zinc/13/21/27/972132127.db2.gz XRGHEDWTNQUVAG-LLVKDONJSA-N 0 0 245.330 2.688 50 0 BFAARN CSc1nc(-c2ccccc2)ccc1C(N)=O ZINC000002861762 958941207 /nfs/dbraw/zinc/94/12/07/958941207.db2.gz FXQWOXNFCWJJTL-UHFFFAOYSA-N 0 0 244.319 2.569 50 0 BFAARN CC(C)(C)c1ccc(OCC2CC2)nn1 ZINC000585652347 961148413 /nfs/dbraw/zinc/14/84/13/961148413.db2.gz LZLZJFHOUGOKMW-UHFFFAOYSA-N 0 0 206.289 2.563 50 0 BFAARN Cc1nnc(OC2CCC2)c2ccccc12 ZINC000585651226 961149954 /nfs/dbraw/zinc/14/99/54/961149954.db2.gz BDHWQKZKKXAALX-UHFFFAOYSA-N 0 0 214.268 2.870 50 0 BFAARN C[C@H](c1ccc(F)nc1)N1CCC=C(F)C1 ZINC000585133194 961860615 /nfs/dbraw/zinc/86/06/15/961860615.db2.gz AKGUIHBYPBFEFZ-SECBINFHSA-N 0 0 224.254 2.841 50 0 BFAARN CC[C@@H](OC)c1ncnn1CCc1ccccc1 ZINC000822667810 968531324 /nfs/dbraw/zinc/53/13/24/968531324.db2.gz NNAKCRDVBJZWDQ-CYBMUJFWSA-N 0 0 245.326 2.618 50 0 BFAARN CC[C@H](OC)c1ncnn1Cc1ccc(C)cc1 ZINC000822667815 968532727 /nfs/dbraw/zinc/53/27/27/968532727.db2.gz YEMCIZWKQLTZGL-ZDUSSCGKSA-N 0 0 245.326 2.732 50 0 BFAARN c1ccc2c(c1)ncnc2O[C@H]1CCSC1 ZINC000585652768 973918770 /nfs/dbraw/zinc/91/87/70/973918770.db2.gz VWIUJCQDMYZVRU-VIFPVBQESA-N 0 0 232.308 2.514 50 0 BFAARN c1cc(C2CC2)nnc1OC1CCCC1 ZINC000585651091 973919303 /nfs/dbraw/zinc/91/93/03/973919303.db2.gz ACBVYYBXEQPIIQ-UHFFFAOYSA-N 0 0 204.273 2.675 50 0 BFAARN Cc1nnc(OCC2CC2)c2ccccc12 ZINC000585652709 973919855 /nfs/dbraw/zinc/91/98/55/973919855.db2.gz SSZWHJQPNLNSGM-UHFFFAOYSA-N 0 0 214.268 2.727 50 0 BFAARN FC(F)(F)c1ccnc(O[C@H]2CCSC2)c1 ZINC000585655127 973923333 /nfs/dbraw/zinc/92/33/33/973923333.db2.gz SUGNUQIBZQGWFX-QMMMGPOBSA-N 0 0 249.257 2.985 50 0 BFAARN C=CC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000952884959 974051200 /nfs/dbraw/zinc/05/12/00/974051200.db2.gz VSRIKTIEZWGPEW-DTORHVGOSA-N 0 0 235.249 2.752 50 0 BFAARN C=CC(=O)N1CCC[C@@]1(C)Cc1cccs1 ZINC000952879955 974057497 /nfs/dbraw/zinc/05/74/97/974057497.db2.gz AWMHXYXMDGFZTQ-ZDUSSCGKSA-N 0 0 235.352 2.858 50 0 BFAARN Cn1cnc(-c2cccc(C3CCC3)c2)c1CO ZINC000952881665 974061624 /nfs/dbraw/zinc/06/16/24/974061624.db2.gz CBUCJQRUDYSZEV-UHFFFAOYSA-N 0 0 242.322 2.847 50 0 BFAARN C=CC(=O)N1CCC[C@@H]1c1ccc(CC)o1 ZINC000952887800 974068009 /nfs/dbraw/zinc/06/80/09/974068009.db2.gz AHZKKVUPUTUJIX-LLVKDONJSA-N 0 0 219.284 2.692 50 0 BFAARN O=[S@@](NC1CCCCC1)c1ccccc1 ZINC000005490219 980099274 /nfs/dbraw/zinc/09/92/74/980099274.db2.gz ZTOMSORUDLSEGQ-HNNXBMFYSA-N 0 0 223.341 2.632 50 0 BFAARN Oc1cccc2c1CC[C@H]2NCc1cnsc1 ZINC000687228067 985274031 /nfs/dbraw/zinc/27/40/31/985274031.db2.gz FNJAGMOKUUUVDL-GFCCVEGCSA-N 0 0 246.335 2.626 50 0 BFAARN C[C@@H](O)c1ccc(F)cc1N1CCCCC1 ZINC000669369597 987251778 /nfs/dbraw/zinc/25/17/78/987251778.db2.gz BSPDWGQBTZBROG-SNVBAGLBSA-N 0 0 223.291 2.869 50 0 BFAARN COc1ccc(Nc2cc(C3CC3)ncn2)cn1 ZINC000670370363 987257314 /nfs/dbraw/zinc/25/73/14/987257314.db2.gz XJVSZJAGJLNHKF-UHFFFAOYSA-N 0 0 242.282 2.501 50 0 BFAARN CCc1nn(C)cc1-c1ccc(OC)c(F)c1 ZINC001506395959 988771539 /nfs/dbraw/zinc/77/15/39/988771539.db2.gz KMJTXFGSDZVNFI-UHFFFAOYSA-N 0 0 234.274 2.797 50 0 BFAARN COc1cccc(C)c1C(=O)N[C@H]1C=CCCC1 ZINC001506398205 988773923 /nfs/dbraw/zinc/77/39/23/988773923.db2.gz AIDBYYJHVVOVQX-LBPRGKRZSA-N 0 0 245.322 2.842 50 0 BFAARN COc1cnc(-c2ccc([C@@H](C)OC)cc2)nc1 ZINC001506414313 988777473 /nfs/dbraw/zinc/77/74/73/988777473.db2.gz OHAIAWARJNJKLG-SNVBAGLBSA-N 0 0 244.294 2.860 50 0 BFAARN CCc1c(C)nn(C)c1NC(=O)[C@H]1CC=CCC1 ZINC001506422026 988782265 /nfs/dbraw/zinc/78/22/65/988782265.db2.gz ZMDDAEGKUCSNHD-NSHDSACASA-N 0 0 247.342 2.586 50 0 BFAARN CC[C@H](C)n1nc(C)cc1NC(=O)c1cc[nH]c1 ZINC001506424457 988783696 /nfs/dbraw/zinc/78/36/96/988783696.db2.gz COORBPYMDRTSOE-JTQLQIEISA-N 0 0 246.314 2.743 50 0 BFAARN CCCCn1nc(C)cc1NC(=O)C1CC=CC1 ZINC001529166917 990336187 /nfs/dbraw/zinc/33/61/87/990336187.db2.gz AGAGHGOSVPYVSS-UHFFFAOYSA-N 0 0 247.342 2.896 50 0 BFAARN CCc1noc(NC(=O)c2ccsc2)c1C ZINC001529197604 990338854 /nfs/dbraw/zinc/33/88/54/990338854.db2.gz TVGKLORDPIZDFU-UHFFFAOYSA-N 0 0 236.296 2.859 50 0 BFAARN Cc1cc(C)cc(O[C@H](C)C(=O)N2CCCC2)c1 ZINC000008498349 177913654 /nfs/dbraw/zinc/91/36/54/177913654.db2.gz ZXCRLMXPMNIHHL-CYBMUJFWSA-N 0 0 247.338 2.693 50 0 BFAARN O=Cc1ccccc1OCCCCn1ccnc1 ZINC000019094241 136208340 /nfs/dbraw/zinc/20/83/40/136208340.db2.gz VQYFXWXCZMIEAN-UHFFFAOYSA-N 0 0 244.294 2.555 50 0 BFAARN Cc1cc(C)n(C(=O)OCc2ccccc2)n1 ZINC000000387748 177920309 /nfs/dbraw/zinc/92/03/09/177920309.db2.gz NSZQESVAWUNKBZ-UHFFFAOYSA-N 0 0 230.267 2.685 50 0 BFAARN CCC(C)(CC)NC(=O)c1ccc2c(c1)CCO2 ZINC000071903645 168310010 /nfs/dbraw/zinc/31/00/10/168310010.db2.gz JYPASTDALPUWPQ-UHFFFAOYSA-N 0 0 247.338 2.930 50 0 BFAARN Cc1cc(C)n(C(=O)Cc2ccc(F)cc2)n1 ZINC000000303548 177921672 /nfs/dbraw/zinc/92/16/72/177921672.db2.gz HNRRVSIOIOJNJR-UHFFFAOYSA-N 0 0 232.258 2.522 50 0 BFAARN Cc1cc(C)n(CCOc2ccccc2F)n1 ZINC000096419528 177928389 /nfs/dbraw/zinc/92/83/89/177928389.db2.gz SZCRACTVKNSMCD-UHFFFAOYSA-N 0 0 234.274 2.718 50 0 BFAARN Cc1cc(C)nc(NC(=O)CC(C)C)c1 ZINC000008548811 177938978 /nfs/dbraw/zinc/93/89/78/177938978.db2.gz YJQLOSDLNFJRKR-UHFFFAOYSA-N 0 0 206.289 2.683 50 0 BFAARN Cc1cc(C)[nH]c(=NNc2ccccc2)n1 ZINC000003121586 177945038 /nfs/dbraw/zinc/94/50/38/177945038.db2.gz DIWCNVPQEQKQLZ-UHFFFAOYSA-N 0 0 214.272 2.532 50 0 BFAARN Cc1cc(C=O)c(F)cc1C(F)(F)F ZINC000091252079 177951813 /nfs/dbraw/zinc/95/18/13/177951813.db2.gz GKMVOIBAXNLEOE-UHFFFAOYSA-N 0 0 206.138 2.965 50 0 BFAARN Cc1cc(CC2OCCO2)ccc1Cl ZINC000043214475 177961257 /nfs/dbraw/zinc/96/12/57/177961257.db2.gz CFDRDURFLWRQQS-UHFFFAOYSA-N 0 0 212.676 2.564 50 0 BFAARN Fc1ccc(-c2cncc(Cl)n2)cc1 ZINC000071373520 398147648 /nfs/dbraw/zinc/14/76/48/398147648.db2.gz QPCFEOIGFLYWAH-UHFFFAOYSA-N 0 0 208.623 2.936 50 0 BFAARN O=C1N[C@H](c2ccccc2)C12CCCCC2 ZINC000299805224 398152847 /nfs/dbraw/zinc/15/28/47/398152847.db2.gz DCABXSUPCDBEKV-GFCCVEGCSA-N 0 0 215.296 2.808 50 0 BFAARN Cc1cc(COC(=O)C2CC2)c2ccccc2n1 ZINC000096442142 178046977 /nfs/dbraw/zinc/04/69/77/178046977.db2.gz RCTLPAXVCYQVPM-UHFFFAOYSA-N 0 0 241.290 2.996 50 0 BFAARN CC(C)(C)C(=O)Nc1cccc2nsnc21 ZINC000004727703 343980869 /nfs/dbraw/zinc/98/08/69/343980869.db2.gz IWKKSHLABDFTKL-UHFFFAOYSA-N 0 0 235.312 2.676 50 0 BFAARN CCCc1nnc(-c2ccc(C=O)cc2)o1 ZINC000071789965 398161580 /nfs/dbraw/zinc/16/15/80/398161580.db2.gz IWWDYPJUMXRUOE-UHFFFAOYSA-N 0 0 216.240 2.502 50 0 BFAARN Cc1cc(Cl)c(Cl)cc1S(C)(=O)=O ZINC000000154139 178060917 /nfs/dbraw/zinc/06/09/17/178060917.db2.gz ARAQCAZLGMKNLZ-UHFFFAOYSA-N 0 0 239.123 2.705 50 0 BFAARN Cc1cc(Cl)cc(Br)c1N ZINC000015442279 178063658 /nfs/dbraw/zinc/06/36/58/178063658.db2.gz PLGLAPAIOBPKMR-UHFFFAOYSA-N 0 0 220.497 2.993 50 0 BFAARN Cc1cc(Cn2ccc(-c3ccccc3)n2)on1 ZINC000069846927 178074869 /nfs/dbraw/zinc/07/48/69/178074869.db2.gz NZSXDDBIVOXNTA-UHFFFAOYSA-N 0 0 239.278 2.895 50 0 BFAARN Cc1cc(Cn2cnc3cc(F)c(F)cc32)on1 ZINC000024426921 178075053 /nfs/dbraw/zinc/07/50/53/178075053.db2.gz NHURHOAGQDRWTL-UHFFFAOYSA-N 0 0 249.220 2.659 50 0 BFAARN CCC(CC)C(=O)NCc1ccccc1 ZINC000000362251 168338794 /nfs/dbraw/zinc/33/87/94/168338794.db2.gz DAXSZZIZMJPAIB-UHFFFAOYSA-N 0 0 205.301 2.739 50 0 BFAARN Cc1cc(N(C)C)cc(C)c1NCc1ncc[nH]1 ZINC000097148777 178094569 /nfs/dbraw/zinc/09/45/69/178094569.db2.gz AEOGSIZUHBIMLY-UHFFFAOYSA-N 0 0 244.342 2.705 50 0 BFAARN Cc1cc(N)ccc1NC(=O)c1ccccc1F ZINC000019736411 178104845 /nfs/dbraw/zinc/10/48/45/178104845.db2.gz LTKXHVNDJVDNCZ-UHFFFAOYSA-N 0 0 244.269 2.969 50 0 BFAARN Cc1cc(N)ccc1NC(=O)c1ccccc1 ZINC000000259730 178104978 /nfs/dbraw/zinc/10/49/78/178104978.db2.gz NBDOSEUNJLCDLN-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN Cc1cc(N)ccc1NC(=O)C(C)(C)C ZINC000000569964 178105556 /nfs/dbraw/zinc/10/55/56/178105556.db2.gz HBWZMDSVFJVJIL-UHFFFAOYSA-N 0 0 206.289 2.562 50 0 BFAARN Cc1cc(N)ccc1NC(=O)OC(C)(C)C ZINC000002547915 178106164 /nfs/dbraw/zinc/10/61/64/178106164.db2.gz HSZKDVSZYCRBEC-UHFFFAOYSA-N 0 0 222.288 2.924 50 0 BFAARN Cc1cc(N)nc(CNc2ccc(Cl)cc2)n1 ZINC000000615130 178108867 /nfs/dbraw/zinc/10/88/67/178108867.db2.gz GELSSZDYHBSLER-UHFFFAOYSA-N 0 0 248.717 2.633 50 0 BFAARN Cc1cc(N2Cc3ccccc3C2)nc(C)n1 ZINC000106065883 178122767 /nfs/dbraw/zinc/12/27/67/178122767.db2.gz BPSCFRFHXZYKRQ-UHFFFAOYSA-N 0 0 225.295 2.614 50 0 BFAARN Cc1cc(NC(=O)/C=C/c2ccc(F)cc2)no1 ZINC000012341497 178123318 /nfs/dbraw/zinc/12/33/18/178123318.db2.gz WNIYKXIHLNWGDD-QPJJXVBHSA-N 0 0 246.241 2.774 50 0 BFAARN CC(C)[S@](=O)c1cccc(Br)c1 ZINC000074937757 398209775 /nfs/dbraw/zinc/20/97/75/398209775.db2.gz LRQCRBOMTRAHLA-GFCCVEGCSA-N 0 0 247.157 2.965 50 0 BFAARN Cc1cc(NC(=O)NC2CCC(C)CC2)no1 ZINC000009513437 178139274 /nfs/dbraw/zinc/13/92/74/178139274.db2.gz YYYSATOJSVIIHD-UHFFFAOYSA-N 0 0 237.303 2.683 50 0 BFAARN Cc1cc(NC(=O)Nc2ccccc2F)no1 ZINC000009253467 178141721 /nfs/dbraw/zinc/14/17/21/178141721.db2.gz SDFPRGSJIXNTIC-UHFFFAOYSA-N 0 0 235.218 2.766 50 0 BFAARN CCC(CC)C(=O)Nc1nc(C)ccc1OC ZINC000193119570 168342869 /nfs/dbraw/zinc/34/28/69/168342869.db2.gz FVPXWNUHPIYLLR-UHFFFAOYSA-N 0 0 236.315 2.773 50 0 BFAARN Cc1cc(NC(=O)c2cccc(Cl)c2)no1 ZINC000000338477 178150155 /nfs/dbraw/zinc/15/01/55/178150155.db2.gz GUSJOAOZPPRRBY-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN CCOc1cccc(Br)c1F ZINC000261493893 187330355 /nfs/dbraw/zinc/33/03/55/187330355.db2.gz LMPLQFAZCPTXJZ-UHFFFAOYSA-N 0 0 219.053 2.987 50 0 BFAARN Cc1cc(NN)c2cccc(C(F)(F)F)c2n1 ZINC000014807677 178176865 /nfs/dbraw/zinc/17/68/65/178176865.db2.gz LKTGVCXKNSHIAV-UHFFFAOYSA-N 0 0 241.216 2.848 50 0 BFAARN Cc1cc(Nc2ccc(Cl)cc2)nc(N)n1 ZINC000004038247 178192341 /nfs/dbraw/zinc/19/23/41/178192341.db2.gz LXQRKCBMOAYRNL-UHFFFAOYSA-N 0 0 234.690 2.764 50 0 BFAARN Cc1cc(Nc2nc(Cl)ncc2Cl)n[nH]1 ZINC000066351904 178193466 /nfs/dbraw/zinc/19/34/66/178193466.db2.gz QXEYORGOYODCOD-UHFFFAOYSA-N 0 0 244.085 2.559 50 0 BFAARN Cc1cc(O)c(Br)cc1C ZINC000001627095 178193997 /nfs/dbraw/zinc/19/39/97/178193997.db2.gz GJLPLXXEHFEMBL-UHFFFAOYSA-N 0 0 201.063 2.772 50 0 BFAARN Cc1cc(O)cc(C)c1I ZINC000000162636 178199941 /nfs/dbraw/zinc/19/99/41/178199941.db2.gz RMJZLNUEDDXELD-UHFFFAOYSA-N 0 0 248.063 2.614 50 0 BFAARN Cc1c(-c2ccccc2)nn2c1[nH]c(C)cc2=O ZINC000100573794 178201129 /nfs/dbraw/zinc/20/11/29/178201129.db2.gz MCIPWXXHHQAEOC-UHFFFAOYSA-N 0 0 239.278 2.719 50 0 BFAARN Cc1cc(O)ccc1NC(=O)c1cccc(N)c1 ZINC000011737153 178201174 /nfs/dbraw/zinc/20/11/74/178201174.db2.gz ANZQEXTZWDCWPA-UHFFFAOYSA-N 0 0 242.278 2.535 50 0 BFAARN Cc1cc(OCC(=O)NC(C)C)ccc1Cl ZINC000000455256 178207909 /nfs/dbraw/zinc/20/79/09/178207909.db2.gz MJBLQWXJCLOIEY-UHFFFAOYSA-N 0 0 241.718 2.552 50 0 BFAARN Cc1cc(OC(F)F)c(Br)cn1 ZINC000263624671 178208230 /nfs/dbraw/zinc/20/82/30/178208230.db2.gz SMTZBOGOHLLQFI-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN Cc1cc(Oc2cnc(=O)[nH]c2)ccc1Cl ZINC000025981628 178215432 /nfs/dbraw/zinc/21/54/32/178215432.db2.gz FAPQPSHZLWEENN-UHFFFAOYSA-N 0 0 236.658 2.936 50 0 BFAARN CCOCSc1ncnc2ccccc21 ZINC000170594938 361769739 /nfs/dbraw/zinc/76/97/39/361769739.db2.gz ABZGGQQDDYAUEK-UHFFFAOYSA-N 0 0 220.297 2.716 50 0 BFAARN Cc1cc(S[C@@H](C)C(N)=O)nc2ccccc12 ZINC000012528188 178218329 /nfs/dbraw/zinc/21/83/29/178218329.db2.gz LDVJBERMMNXKPI-VIFPVBQESA-N 0 0 246.335 2.509 50 0 BFAARN Cc1cc(Sc2ccc(O)cc2)nnc1C ZINC000097097166 178219049 /nfs/dbraw/zinc/21/90/49/178219049.db2.gz CARVILJFOCKXKR-UHFFFAOYSA-N 0 0 232.308 2.950 50 0 BFAARN Cc1cc(Sc2ccccc2)n2ncnc2n1 ZINC000001004656 178220255 /nfs/dbraw/zinc/22/02/55/178220255.db2.gz RMBQQWDBZRAECU-UHFFFAOYSA-N 0 0 242.307 2.584 50 0 BFAARN CC[C@H](C)[C@H](C)Nc1ccc2c(c1)C(=O)NC2 ZINC000170592623 361762650 /nfs/dbraw/zinc/76/26/50/361762650.db2.gz YIQWXTNPQVPNDK-UWVGGRQHSA-N 0 0 232.327 2.777 50 0 BFAARN COCc1ccc(C(=O)NC2CCCC2)cc1 ZINC000007525398 361813535 /nfs/dbraw/zinc/81/35/35/361813535.db2.gz KEVKZXQOUZWCGF-UHFFFAOYSA-N 0 0 233.311 2.505 50 0 BFAARN CCC(CC)C[NH2+][C@@H](CC(C)C)C(=O)[O-] ZINC000043431798 168362765 /nfs/dbraw/zinc/36/27/65/168362765.db2.gz YAFPLRWNQCFWBK-NSHDSACASA-N 0 0 215.337 2.512 50 0 BFAARN Cc1cc2[nH]cnc2cc1Br ZINC000062152741 178277154 /nfs/dbraw/zinc/27/71/54/178277154.db2.gz ZQHHVSZEBVWTRO-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1cc2c(c(C)c1C)CC(C)(C)NC2=O ZINC000000100216 178282137 /nfs/dbraw/zinc/28/21/37/178282137.db2.gz PIHFCWVXWFVYFD-UHFFFAOYSA-N 0 0 217.312 2.676 50 0 BFAARN C[C@H](NC(=O)c1cccn1C)c1ccc(F)cc1 ZINC000022968146 538941464 /nfs/dbraw/zinc/94/14/64/538941464.db2.gz YBSXRSHNNBVWSA-JTQLQIEISA-N 0 0 246.285 2.655 50 0 BFAARN Cc1ccc(-c2ccccc2-n2cnnc2)o1 ZINC000065382259 178327037 /nfs/dbraw/zinc/32/70/37/178327037.db2.gz DJPAKORWTGLOQM-UHFFFAOYSA-N 0 0 225.251 2.836 50 0 BFAARN Cc1cc2occ(C=O)c(=O)c2cc1Cl ZINC000000057968 178307855 /nfs/dbraw/zinc/30/78/55/178307855.db2.gz NULJNFUEBPQUNB-UHFFFAOYSA-N 0 0 222.627 2.567 50 0 BFAARN Cc1ccc(-c2nc(=O)[nH]c3ccccc32)cc1 ZINC000011617355 178315975 /nfs/dbraw/zinc/31/59/75/178315975.db2.gz LPCDEMFDWKLSBL-UHFFFAOYSA-N 0 0 236.274 2.899 50 0 BFAARN Cc1ccc(-c2cc(F)c(F)c(F)c2)nn1 ZINC000097594852 178321257 /nfs/dbraw/zinc/32/12/57/178321257.db2.gz YIYYREQRUBTGOJ-UHFFFAOYSA-N 0 0 224.185 2.869 50 0 BFAARN Cc1ccc(-c2ccc(C(=O)NCCF)cc2)o1 ZINC000097495346 178322826 /nfs/dbraw/zinc/32/28/26/178322826.db2.gz PNITUNQZUNWNQV-UHFFFAOYSA-N 0 0 247.269 2.954 50 0 BFAARN Cc1ccc(-c2nc(C(=O)N(C)C)cs2)cc1 ZINC000040473701 178333139 /nfs/dbraw/zinc/33/31/39/178333139.db2.gz MYMIIPANVTVUJW-UHFFFAOYSA-N 0 0 246.335 2.820 50 0 BFAARN Cc1ccc(-c2nc(C=O)cs2)cc1 ZINC000019723117 178334473 /nfs/dbraw/zinc/33/44/73/178334473.db2.gz HQQLUNVPMPSCIT-UHFFFAOYSA-N 0 0 203.266 2.931 50 0 BFAARN Cc1nnc2sc(-c3ccc(C)c(C)c3)nn12 ZINC000004487544 178340036 /nfs/dbraw/zinc/34/00/36/178340036.db2.gz RBOITCJVGQKTFA-UHFFFAOYSA-N 0 0 244.323 2.778 50 0 BFAARN Cc1ccc(-c2noc(-c3ccno3)n2)cc1 ZINC000000114322 178342371 /nfs/dbraw/zinc/34/23/71/178342371.db2.gz KIKNDABODJWBNI-UHFFFAOYSA-N 0 0 227.223 2.700 50 0 BFAARN Cc1ccc(-c2ocnc2C(=O)NC2CC2)s1 ZINC000033049122 178345019 /nfs/dbraw/zinc/34/50/19/178345019.db2.gz ZRKAATKHRWKZOF-UHFFFAOYSA-N 0 0 248.307 2.604 50 0 BFAARN Cc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1 ZINC000000156786 178348704 /nfs/dbraw/zinc/34/87/04/178348704.db2.gz WPWFGODZYVRBTJ-UHFFFAOYSA-N 0 0 238.294 2.620 50 0 BFAARN Cc1ccc(-n2nc3c(c2N)CSC3)c(C)c1 ZINC000002454960 178348946 /nfs/dbraw/zinc/34/89/46/178348946.db2.gz JRSGHFFTABKVLF-UHFFFAOYSA-N 0 0 245.351 2.818 50 0 BFAARN Cc1ccc(-c2nc(-c3cnn(C)c3)no2)s1 ZINC000078774341 178331982 /nfs/dbraw/zinc/33/19/82/178331982.db2.gz KUATVWLKBSZYQF-UHFFFAOYSA-N 0 0 246.295 2.507 50 0 BFAARN Cc1ccc(/C=C2\N=C(c3ccco3)OC2=O)o1 ZINC000003016758 178356302 /nfs/dbraw/zinc/35/63/02/178356302.db2.gz VXAWKFMMZOBHAN-YFHOEESVSA-N 0 0 243.218 2.526 50 0 BFAARN Cc1ccc(/C=C\c2nc([C@H]3CCOC3)no2)o1 ZINC000098019203 178357411 /nfs/dbraw/zinc/35/74/11/178357411.db2.gz GSBMOVKEWLMDIG-LWTINBJPSA-N 0 0 246.266 2.645 50 0 BFAARN Cc1ccc(/C=C\C(=O)Nc2nccs2)o1 ZINC000006405721 178357631 /nfs/dbraw/zinc/35/76/31/178357631.db2.gz WXPPKRVWDCVHPH-PLNGDYQASA-N 0 0 234.280 2.696 50 0 BFAARN CC(=O)Nc1ccc(-c2coc(C)n2)cc1 ZINC000030899946 538949653 /nfs/dbraw/zinc/94/96/53/538949653.db2.gz BWJWTIJQYDOWGN-UHFFFAOYSA-N 0 0 216.240 2.608 50 0 BFAARN Cc1nnc(N2CCCC2)c2ccccc12 ZINC000032666253 538950644 /nfs/dbraw/zinc/95/06/44/538950644.db2.gz REBBRQXACXAKKW-UHFFFAOYSA-N 0 0 213.284 2.538 50 0 BFAARN CCN1CCc2nc3ccccc3c(C)c2C1 ZINC000032666060 538950715 /nfs/dbraw/zinc/95/07/15/538950715.db2.gz VQQFELDOFSTWGE-UHFFFAOYSA-N 0 0 226.323 2.921 50 0 BFAARN Cc1nn(CN2CCC[C@@H](C)C2)c(=S)s1 ZINC000033029231 538951091 /nfs/dbraw/zinc/95/10/91/538951091.db2.gz JOGXSCJRHJXTGK-MRVPVSSYSA-N 0 0 243.401 2.672 50 0 BFAARN Cc1ccc(C(=O)N(C)Cc2ccncc2)s1 ZINC000046045722 178378435 /nfs/dbraw/zinc/37/84/35/178378435.db2.gz DHVPUIRUSJYWEZ-UHFFFAOYSA-N 0 0 246.335 2.724 50 0 BFAARN Cc1ccc(C(=O)N(C)Cc2ccco2)cc1F ZINC000032780988 178378475 /nfs/dbraw/zinc/37/84/75/178378475.db2.gz BUAMIFVPWUKIJF-UHFFFAOYSA-N 0 0 247.269 2.999 50 0 BFAARN Cc1ccc(C(=O)N(C)c2ccc(O)cc2)cc1 ZINC000004206552 178380547 /nfs/dbraw/zinc/38/05/47/178380547.db2.gz ZAXDQTZNODCHKM-UHFFFAOYSA-N 0 0 241.290 2.977 50 0 BFAARN Cc1ccc(C(=O)N2CCCC2)c(F)c1F ZINC000001118336 178385486 /nfs/dbraw/zinc/38/54/86/178385486.db2.gz YTJNBTXLDHQUCF-UHFFFAOYSA-N 0 0 225.238 2.509 50 0 BFAARN Cc1ccc(C(=O)N2CCCC[C@H]2C)o1 ZINC000040488469 178387314 /nfs/dbraw/zinc/38/73/14/178387314.db2.gz CECWPQWFFISUPB-SECBINFHSA-N 0 0 207.273 2.603 50 0 BFAARN Cc1ccc(C(=O)C(=O)N(C(C)C)C(C)C)cc1 ZINC000034218710 178370725 /nfs/dbraw/zinc/37/07/25/178370725.db2.gz FGKIPZJYAZZNFA-UHFFFAOYSA-N 0 0 247.338 2.823 50 0 BFAARN Cc1ccc(C(=O)C(F)(F)F)cc1F ZINC000002378587 178371127 /nfs/dbraw/zinc/37/11/27/178371127.db2.gz GMGYOGJDXAFXGX-UHFFFAOYSA-N 0 0 206.138 2.879 50 0 BFAARN Cc1ccc(C(=O)C(Cl)(Cl)Cl)[nH]1 ZINC000002029178 178371214 /nfs/dbraw/zinc/37/12/14/178371214.db2.gz VKZUOGVHBCUWMI-UHFFFAOYSA-N 0 0 226.490 2.876 50 0 BFAARN Cc1ccc(C(=O)C(C)(C)Br)o1 ZINC000071788788 178372085 /nfs/dbraw/zinc/37/20/85/178372085.db2.gz YWICAKPJYCAHGJ-UHFFFAOYSA-N 0 0 231.089 2.944 50 0 BFAARN Cc1ccc(C(=O)N2C[C@H](C)OC[C@H]2C)c(C)c1 ZINC000045523787 178399207 /nfs/dbraw/zinc/39/92/07/178399207.db2.gz AZHVGEDVGQOFLE-OLZOCXBDSA-N 0 0 247.338 2.553 50 0 BFAARN Cc1ccc(C(=O)NCc2cccs2)cc1 ZINC000003557903 178416321 /nfs/dbraw/zinc/41/63/21/178416321.db2.gz DQCDIMZDANGPIK-UHFFFAOYSA-N 0 0 231.320 2.987 50 0 BFAARN Cc1[nH]c2ccccc2c1[C@@H](O)c1cccnc1 ZINC000000071966 342672759 /nfs/dbraw/zinc/67/27/59/342672759.db2.gz CTDQZAAWPMOVPZ-HNNXBMFYSA-N 0 0 238.290 2.953 50 0 BFAARN Nc1cccnc1Oc1ccc(F)cc1F ZINC000000093337 342673977 /nfs/dbraw/zinc/67/39/77/342673977.db2.gz LCPVQAHEFVXVKT-UHFFFAOYSA-N 0 0 222.194 2.734 50 0 BFAARN Clc1cccc2c3c([nH]c21)-c1nonc1CC3 ZINC000000102098 342674373 /nfs/dbraw/zinc/67/43/73/342674373.db2.gz ARFZBGVIHVILCF-UHFFFAOYSA-N 0 0 245.669 2.970 50 0 BFAARN Cn1c2ccc(F)cc2c2c1C(=O)CCC2 ZINC000000097312 342674478 /nfs/dbraw/zinc/67/44/78/342674478.db2.gz GLGRAUQRVBVXQO-UHFFFAOYSA-N 0 0 217.243 2.836 50 0 BFAARN CC(C)(C)C(=O)Nc1cccc(-c2nnco2)c1 ZINC000000106968 342674763 /nfs/dbraw/zinc/67/47/63/342674763.db2.gz ZYUJIUOYCKHSFO-UHFFFAOYSA-N 0 0 245.282 2.721 50 0 BFAARN Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 ZINC000000123094 342675746 /nfs/dbraw/zinc/67/57/46/342675746.db2.gz GEQWBCPSXJTWRI-UHFFFAOYSA-N 0 0 244.685 2.656 50 0 BFAARN Cc1ccc(N)cc1NC(=O)c1ccccc1 ZINC000000123117 342675779 /nfs/dbraw/zinc/67/57/79/342675779.db2.gz OYNOCAXBTUAATH-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN CC(C)CNC(=O)c1ccccc1Cl ZINC000000126142 342675993 /nfs/dbraw/zinc/67/59/93/342675993.db2.gz CFDLINMQKPWZDV-UHFFFAOYSA-N 0 0 211.692 2.726 50 0 BFAARN Cc1cc(Br)cc(C)c1N ZINC000000152830 342677480 /nfs/dbraw/zinc/67/74/80/342677480.db2.gz QGLAYJCJLHNIGJ-UHFFFAOYSA-N 0 0 200.079 2.648 50 0 BFAARN Cc1ccc(CC(=O)c2cccnc2)cc1 ZINC000000161862 342678451 /nfs/dbraw/zinc/67/84/51/342678451.db2.gz RZTPZZZQGBUDFZ-UHFFFAOYSA-N 0 0 211.264 2.815 50 0 BFAARN Nc1ccc(Cl)cc1OC(F)(F)F ZINC000000165395 342678641 /nfs/dbraw/zinc/67/86/41/342678641.db2.gz UCFTYLMKCJPWBX-UHFFFAOYSA-N 0 0 211.570 2.821 50 0 BFAARN Cc1ccc(F)cc1I ZINC000000167084 342678650 /nfs/dbraw/zinc/67/86/50/342678650.db2.gz RZGYAMQMAVTAKP-UHFFFAOYSA-N 0 0 236.027 2.739 50 0 BFAARN Cc1cc(C)n2nc(C(C)(C)C)cc2n1 ZINC000000165456 342678746 /nfs/dbraw/zinc/67/87/46/342678746.db2.gz VAAIEXWGEAXCAB-UHFFFAOYSA-N 0 0 203.289 2.644 50 0 BFAARN COCc1cc(Cl)nc(-c2ccccc2)n1 ZINC000000169142 342678990 /nfs/dbraw/zinc/67/89/90/342678990.db2.gz GSSSCZAOXFZADM-UHFFFAOYSA-N 0 0 234.686 2.943 50 0 in-vitro BFAARN O=C1CCCN1c1cccc2ccccc21 ZINC000000188722 342679918 /nfs/dbraw/zinc/67/99/18/342679918.db2.gz KDRONXZNFIQMDV-UHFFFAOYSA-N 0 0 211.264 2.967 50 0 BFAARN CCCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000000200906 342680182 /nfs/dbraw/zinc/68/01/82/342680182.db2.gz PFTUDPMBUUOMGI-VIFPVBQESA-N 0 0 231.299 2.540 50 0 BFAARN O=C(c1cccs1)N1CCc2ccccc21 ZINC000000272902 342681936 /nfs/dbraw/zinc/68/19/36/342681936.db2.gz NDTAKECNNPRRSM-UHFFFAOYSA-N 0 0 229.304 2.951 50 0 BFAARN C/C=C/c1ccc(OC)c(OC(C)=O)c1 ZINC000000301371 342682816 /nfs/dbraw/zinc/68/28/16/342682816.db2.gz FTGNSPFKDDNURH-SNAWJCMRSA-N 0 0 206.241 2.654 50 0 biogenic BFAARN CCOc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000000311219 342683150 /nfs/dbraw/zinc/68/31/50/342683150.db2.gz BPNQXMURVJKAID-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN COC[C@H](C)NC(=O)c1cccc2ccccc21 ZINC000022624409 342683370 /nfs/dbraw/zinc/68/33/70/342683370.db2.gz VVEOUAWLHUEOGD-NSHDSACASA-N 0 0 243.306 2.605 50 0 BFAARN Nc1c(Br)cnc2ccccc12 ZINC000000331160 342683569 /nfs/dbraw/zinc/68/35/69/342683569.db2.gz TYGUEEGQSYNEHB-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 in-vitro BFAARN S=C1N=NC(c2ccco2)N1c1ccccc1 ZINC000000341952 342684080 /nfs/dbraw/zinc/68/40/80/342684080.db2.gz CNWLGJLWFORSRE-UHFFFAOYSA-N 0 0 243.291 2.816 50 0 BFAARN CC(C)CNC(=O)c1ccc(Cl)cc1 ZINC000000361940 342684976 /nfs/dbraw/zinc/68/49/76/342684976.db2.gz ILCKINPCGGJLCK-UHFFFAOYSA-N 0 0 211.692 2.726 50 0 BFAARN C[C@@]1(c2ccccc2)NC(=O)c2ccccc2O1 ZINC000000365309 342685079 /nfs/dbraw/zinc/68/50/79/342685079.db2.gz OAJLOMFJUSZIIM-OAHLLOKOSA-N 0 0 239.274 2.682 50 0 BFAARN Cc1ccc(NC(=O)Cc2cccs2)cc1O ZINC000000365430 342685192 /nfs/dbraw/zinc/68/51/92/342685192.db2.gz ZZQIANSJNXDTRZ-UHFFFAOYSA-N 0 0 247.319 2.943 50 0 BFAARN CC(C)CC(=O)Nc1cccnc1Cl ZINC000000363819 342685226 /nfs/dbraw/zinc/68/52/26/342685226.db2.gz PAJCTJGKPCRVLM-UHFFFAOYSA-N 0 0 212.680 2.720 50 0 BFAARN Cc1cc(C)nc(NC(=O)C2CCCCC2)n1 ZINC000000384134 342685641 /nfs/dbraw/zinc/68/56/41/342685641.db2.gz BUNGOUDEQJWENJ-UHFFFAOYSA-N 0 0 233.315 2.612 50 0 BFAARN O=C(OCc1ccccc1)c1ccc(O)cc1 ZINC000000388756 342685776 /nfs/dbraw/zinc/68/57/76/342685776.db2.gz MOZDKDIOPSPTBH-UHFFFAOYSA-N 0 0 228.247 2.749 50 0 in-man BFAARN CC(C)c1ccc(NC(=O)N(C)C)cc1 ZINC000000392884 342686036 /nfs/dbraw/zinc/68/60/36/342686036.db2.gz PUIYMUZLKQOUOZ-UHFFFAOYSA-N 0 0 206.289 2.904 50 0 in-vitro BFAARN CC[C@@H](C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000000394449 342686085 /nfs/dbraw/zinc/68/60/85/342686085.db2.gz NLMQKWIDHNGIQC-DGCLKSJQSA-N 0 0 219.328 2.905 50 0 BFAARN CN(C)c1ccc(NC(=O)NC(C)(C)C)cc1 ZINC000000400430 342686469 /nfs/dbraw/zinc/68/64/69/342686469.db2.gz CRNSLBZNRHUKGT-UHFFFAOYSA-N 0 0 235.331 2.673 50 0 BFAARN Nc1c(-c2ccccc2)nnn1-c1ccccc1 ZINC000000402013 342686470 /nfs/dbraw/zinc/68/64/70/342686470.db2.gz FUCABBOUCNJYAH-UHFFFAOYSA-N 0 0 236.278 2.517 50 0 BFAARN CC(C)(O)C(O)(c1ccccc1)c1ccccc1 ZINC000000399625 342686527 /nfs/dbraw/zinc/68/65/27/342686527.db2.gz NEBPKRZOOBQYIN-UHFFFAOYSA-N 0 0 242.318 2.693 50 0 BFAARN C[C@@H](O)c1cccc(NC(=O)NC(C)(C)C)c1 ZINC000000398729 342686550 /nfs/dbraw/zinc/68/65/50/342686550.db2.gz GVXMYJFXAWNTIL-SECBINFHSA-N 0 0 236.315 2.660 50 0 BFAARN Cc1cc(C)n(CCc2nc3ccccc3[nH]2)n1 ZINC000000405759 342687015 /nfs/dbraw/zinc/68/70/15/342687015.db2.gz HQLLOOUJIPKQTD-UHFFFAOYSA-N 0 0 240.310 2.619 50 0 BFAARN Fc1cc(F)c(F)c(Br)c1 ZINC000000409376 342687350 /nfs/dbraw/zinc/68/73/50/342687350.db2.gz XSMLLZPSNLQCQU-UHFFFAOYSA-N 0 0 210.980 2.866 50 0 BFAARN Cn1c2ccccc2nc1-c1ccc(C=O)o1 ZINC000000452757 342687728 /nfs/dbraw/zinc/68/77/28/342687728.db2.gz ZDCNWNJMCTVNCE-UHFFFAOYSA-N 0 0 226.235 2.646 50 0 BFAARN COc1c(Cl)cc(C=O)cc1Cl ZINC000000454532 342687876 /nfs/dbraw/zinc/68/78/76/342687876.db2.gz LEEKELDJRCUBEM-UHFFFAOYSA-N 0 0 205.040 2.815 50 0 BFAARN Cc1[nH]c2ccccc2c(=O)c1Br ZINC000000459950 342687937 /nfs/dbraw/zinc/68/79/37/342687937.db2.gz RPUCDXLAFUWPHF-UHFFFAOYSA-N 0 0 238.084 2.599 50 0 BFAARN O=C(CCCc1ccccc1)NCc1ccco1 ZINC000000458438 342688108 /nfs/dbraw/zinc/68/81/08/342688108.db2.gz ZXODBNLUFJZLII-UHFFFAOYSA-N 0 0 243.306 2.919 50 0 BFAARN Cc1occc1C(=O)NCCc1ccccc1 ZINC000000474622 342688260 /nfs/dbraw/zinc/68/82/60/342688260.db2.gz LWRCKKMXRXAHSV-UHFFFAOYSA-N 0 0 229.279 2.561 50 0 BFAARN Cc1ccc(CC(=O)Nc2cc(C)ccn2)cc1 ZINC000000466704 342688413 /nfs/dbraw/zinc/68/84/13/342688413.db2.gz NYCKWDHUTVXDKA-UHFFFAOYSA-N 0 0 240.306 2.880 50 0 BFAARN Cc1ccc(CNC(=O)c2ccco2)cc1 ZINC000000030005 342669911 /nfs/dbraw/zinc/66/99/11/342669911.db2.gz QQLKIBXDOBGYJV-UHFFFAOYSA-N 0 0 215.252 2.518 50 0 BFAARN Cc1cccc(NC(=O)c2cccnc2)c1C ZINC000000029319 342669920 /nfs/dbraw/zinc/66/99/20/342669920.db2.gz ITEFUIWRDPERIC-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN O=C(c1ccc(F)cc1)N1CCCCCC1 ZINC000000029765 342670028 /nfs/dbraw/zinc/67/00/28/342670028.db2.gz NVQGWWBCCMYSRW-UHFFFAOYSA-N 0 0 221.275 2.842 50 0 BFAARN O=S(=O)(c1ccccc1)c1ccc(F)cc1 ZINC000000040535 342671071 /nfs/dbraw/zinc/67/10/71/342671071.db2.gz MONGUDQJUIVFPI-UHFFFAOYSA-N 0 0 236.267 2.659 50 0 BFAARN Fc1ccc(NC(=S)N2CCCC2)cc1 ZINC000000046249 342671236 /nfs/dbraw/zinc/67/12/36/342671236.db2.gz RSDGTYCVRPYQMS-UHFFFAOYSA-N 0 0 224.304 2.618 50 0 BFAARN Cc1ccc(NC(=O)c2cccs2)c(N)c1 ZINC000000792028 342692760 /nfs/dbraw/zinc/69/27/60/342692760.db2.gz JVUMGCPQKDTUBG-UHFFFAOYSA-N 0 0 232.308 2.891 50 0 BFAARN CC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000000894903 342694345 /nfs/dbraw/zinc/69/43/45/342694345.db2.gz XYTUHXGEXHPHBQ-UHFFFAOYSA-N 0 0 238.718 2.899 50 0 BFAARN CCS(=O)(=O)Nc1ccc(C(C)C)cc1 ZINC000000994058 342695688 /nfs/dbraw/zinc/69/56/88/342695688.db2.gz MEIJKVKQUGGPCO-UHFFFAOYSA-N 0 0 227.329 2.572 50 0 BFAARN COC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000001081502 342697202 /nfs/dbraw/zinc/69/72/02/342697202.db2.gz FWVOAIHAIWHHDM-UHFFFAOYSA-N 0 0 219.067 2.709 50 0 BFAARN Nc1nc2c(s1)C(=O)C[C@@H](c1ccccc1)C2 ZINC000001245679 342698577 /nfs/dbraw/zinc/69/85/77/342698577.db2.gz HRSUKZMYFXBXMT-VIFPVBQESA-N 0 0 244.319 2.638 50 0 BFAARN CC(C)(C)CCNC(=O)NCc1ccco1 ZINC000047970186 342699126 /nfs/dbraw/zinc/69/91/26/342699126.db2.gz VFVPZODAQLKRIO-UHFFFAOYSA-N 0 0 224.304 2.515 50 0 BFAARN Cn1nc(-c2ccc(Cl)c(Cl)c2)cc1N ZINC000001382218 342699336 /nfs/dbraw/zinc/69/93/36/342699336.db2.gz SEELMHFUJOIMJM-UHFFFAOYSA-N 0 0 242.109 2.976 50 0 BFAARN c1nnsc1SC1CCCCC1 ZINC000001388133 342699779 /nfs/dbraw/zinc/69/97/79/342699779.db2.gz LSFDQQCRPGSCEO-UHFFFAOYSA-N 0 0 200.332 2.963 50 0 BFAARN CC(C)(C)c1nnc2cccc(Cl)n21 ZINC000001394452 342699791 /nfs/dbraw/zinc/69/97/91/342699791.db2.gz SZHNMGFPWQGAJO-UHFFFAOYSA-N 0 0 209.680 2.680 50 0 BFAARN O=C1C[C@@H](c2ccccc2)N(c2ccccc2)N1 ZINC000001514964 342702162 /nfs/dbraw/zinc/70/21/62/342702162.db2.gz CBDMBBKKGFKNCA-AWEZNQCLSA-N 0 0 238.290 2.669 50 0 BFAARN CC(=O)Nc1nc2c(cc(F)cc2F)s1 ZINC000001505099 342702233 /nfs/dbraw/zinc/70/22/33/342702233.db2.gz DZBBKDKCSBNQFW-UHFFFAOYSA-N 0 0 228.223 2.533 50 0 BFAARN Cc1ccc(F)c(I)c1 ZINC000001651911 342707162 /nfs/dbraw/zinc/70/71/62/342707162.db2.gz XJWZEEGCMBQBNG-UHFFFAOYSA-N 0 0 236.027 2.739 50 0 BFAARN O=C(c1cc(F)cc(F)c1)C(F)(F)F ZINC000002378572 342719380 /nfs/dbraw/zinc/71/93/80/342719380.db2.gz VPJBBHOADBTNFQ-UHFFFAOYSA-N 0 0 210.101 2.710 50 0 BFAARN CCOc1cc(F)ccc1Br ZINC000002383963 342719531 /nfs/dbraw/zinc/71/95/31/342719531.db2.gz MCLBVTBTDQSOSY-UHFFFAOYSA-N 0 0 219.053 2.987 50 0 BFAARN O=C1c2cccc3c2N(C1=O)c1ccccc1CC3 ZINC000001728537 342711569 /nfs/dbraw/zinc/71/15/69/342711569.db2.gz YIOHEAHCPFGXLB-UHFFFAOYSA-N 0 0 249.269 2.646 50 0 BFAARN Cc1ccc(Br)c2c1CCC2=O ZINC000001758091 342712326 /nfs/dbraw/zinc/71/23/26/342712326.db2.gz BYDNWFNQAPDJEO-UHFFFAOYSA-N 0 0 225.085 2.886 50 0 BFAARN CCCC(=O)Nc1ccc(OCC)cc1 ZINC000001867057 342713068 /nfs/dbraw/zinc/71/30/68/342713068.db2.gz FAPBNZGKOCMULQ-UHFFFAOYSA-N 0 0 207.273 2.824 50 0 BFAARN Cc1cc(C)nc(CN(C)Cc2ccoc2)c1 ZINC000584902628 342713819 /nfs/dbraw/zinc/71/38/19/342713819.db2.gz YHAHSNZDBBUBIK-UHFFFAOYSA-N 0 0 230.311 2.923 50 0 BFAARN CCCCC(=O)Oc1ccccc1C(=O)OC ZINC000002065803 342715728 /nfs/dbraw/zinc/71/57/28/342715728.db2.gz FPISLXSADRJTFB-UHFFFAOYSA-N 0 0 236.267 2.569 50 0 BFAARN Nc1cccc(OCCOc2ccccc2)c1 ZINC000002165097 342716559 /nfs/dbraw/zinc/71/65/59/342716559.db2.gz CNHROMZTZVDFGK-UHFFFAOYSA-N 0 0 229.279 2.727 50 0 BFAARN O=C(CCc1ccccc1)NC1CCCC1 ZINC000002181310 342716724 /nfs/dbraw/zinc/71/67/24/342716724.db2.gz JXSUEKAVTFBPCG-UHFFFAOYSA-N 0 0 217.312 2.678 50 0 BFAARN CCCCSc1nc2nc(C)cc(C)n2n1 ZINC000002182108 342716797 /nfs/dbraw/zinc/71/67/97/342716797.db2.gz DOAICUJKSDVDFM-UHFFFAOYSA-N 0 0 236.344 2.633 50 0 BFAARN O=C1CC(=O)CC(c2ccccc2Cl)C1 ZINC000004112869 342742619 /nfs/dbraw/zinc/74/26/19/342742619.db2.gz BPFBAVBCEHCMFU-UHFFFAOYSA-N 0 0 222.671 2.746 50 0 BFAARN Nc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000004255727 342745688 /nfs/dbraw/zinc/74/56/88/342745688.db2.gz BRUOFARTOPHRMH-UHFFFAOYSA-N 0 0 237.262 2.986 50 0 BFAARN CCC(CC)NC(=O)c1ccccc1F ZINC000005501631 168385365 /nfs/dbraw/zinc/38/53/65/168385365.db2.gz VWUOVGSUWZUTBN-UHFFFAOYSA-N 0 0 209.264 2.744 50 0 BFAARN O=C([O-])[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000004381490 342747451 /nfs/dbraw/zinc/74/74/51/342747451.db2.gz LCRCODPYSHSWAR-AWEZNQCLSA-N 0 0 241.290 2.602 50 0 BFAARN Fc1cccc(Cl)c1Cn1ccnc1 ZINC000004385932 342747481 /nfs/dbraw/zinc/74/74/81/342747481.db2.gz WVFQLVIXKSHYTH-UHFFFAOYSA-N 0 0 210.639 2.724 50 0 BFAARN CC(C)c1nnc2sc(-c3ccccc3)nn21 ZINC000002437859 342720725 /nfs/dbraw/zinc/72/07/25/342720725.db2.gz OBVMDUUKKWPBBX-UHFFFAOYSA-N 0 0 244.323 2.976 50 0 BFAARN O=C(c1ccc(CN2CCC2)cc1)C1CCC1 ZINC000002514648 342722003 /nfs/dbraw/zinc/72/20/03/342722003.db2.gz FQGDDZUKYGUWMU-UHFFFAOYSA-N 0 0 229.323 2.875 50 0 BFAARN CCSC(=O)c1c[nH]cc1C(=O)SCC ZINC000002519511 342722306 /nfs/dbraw/zinc/72/23/06/342722306.db2.gz OGDCAFRXPLLXIR-UHFFFAOYSA-N 0 0 243.353 2.801 50 0 BFAARN Nc1cc(F)ccc1N1CCCCCC1 ZINC000002538786 342723305 /nfs/dbraw/zinc/72/33/05/342723305.db2.gz BRZSYCIGSXBGJG-UHFFFAOYSA-N 0 0 208.280 2.788 50 0 BFAARN C[C@@H](CCO)c1cn(C)c2ccccc12 ZINC000002548283 342723699 /nfs/dbraw/zinc/72/36/99/342723699.db2.gz WHQZINALYHALBY-JTQLQIEISA-N 0 0 203.285 2.664 50 0 BFAARN Nc1nc2cc(C(F)(F)F)ccc2s1 ZINC000002553997 342723766 /nfs/dbraw/zinc/72/37/66/342723766.db2.gz ARKYDZKUBJMEDX-UHFFFAOYSA-N 0 0 218.203 2.897 50 0 BFAARN COC(=O)C[C@H](C)c1cn(C)c2ccccc12 ZINC000002548275 342723839 /nfs/dbraw/zinc/72/38/39/342723839.db2.gz QIOUBQLAFUPETC-JTQLQIEISA-N 0 0 231.295 2.845 50 0 BFAARN Clc1ncnc(Cl)c1Br ZINC000002558608 342723928 /nfs/dbraw/zinc/72/39/28/342723928.db2.gz BKLHHTTZTSYHBV-UHFFFAOYSA-N 0 0 227.876 2.546 50 0 BFAARN CC(=O)Cc1cccc(Br)c1 ZINC000002558075 342724009 /nfs/dbraw/zinc/72/40/09/342724009.db2.gz FQIZFAJMBXZVOL-UHFFFAOYSA-N 0 0 213.074 2.581 50 0 BFAARN CCCCOCc1ccc(O)c(OC)c1 ZINC000002561203 342724176 /nfs/dbraw/zinc/72/41/76/342724176.db2.gz VLDFMKOUUQYFGF-UHFFFAOYSA-N 0 0 210.273 2.718 50 0 endogenous,fda BFAARN NNc1ccc(Cl)cc1C(F)(F)F ZINC000002568758 342724837 /nfs/dbraw/zinc/72/48/37/342724837.db2.gz SIILNUCRHAEFQZ-UHFFFAOYSA-N 0 0 210.586 2.644 50 0 BFAARN Cc1cc(C)n(C(=O)[C@@]2(C)CC2(Cl)Cl)n1 ZINC000002761056 342726982 /nfs/dbraw/zinc/72/69/82/342726982.db2.gz KSXNBYSDAUELKO-SECBINFHSA-N 0 0 247.125 2.724 50 0 BFAARN CC(C)(C)NC(=O)Cc1ccc(Cl)cc1 ZINC000003093857 342730206 /nfs/dbraw/zinc/73/02/06/342730206.db2.gz MVWNJFAJKMCOOL-UHFFFAOYSA-N 0 0 225.719 2.797 50 0 BFAARN COc1ccc(NC(=O)C(C)(C)C)cc1OC ZINC000003093775 342730415 /nfs/dbraw/zinc/73/04/15/342730415.db2.gz QWQHGMJUZVCGAY-UHFFFAOYSA-N 0 0 237.299 2.688 50 0 BFAARN Cc1cc(C)n(C(=O)c2cccc(Cl)c2)n1 ZINC000003108610 342730557 /nfs/dbraw/zinc/73/05/57/342730557.db2.gz KUMAPKSXVRZRRF-UHFFFAOYSA-N 0 0 234.686 2.842 50 0 BFAARN Cc1ccsc1[C@H]1Nc2ccccc2C(=O)N1 ZINC000003251299 342731931 /nfs/dbraw/zinc/73/19/31/342731931.db2.gz IJMUONPEFZBARK-LBPRGKRZSA-N 0 0 244.319 2.911 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000003433568 342733368 /nfs/dbraw/zinc/73/33/68/342733368.db2.gz LDOICKODKWUUEX-XVKPBYJWSA-N 0 0 209.676 2.935 50 0 BFAARN Cc1ccc(CNC(=O)c2ccccc2)cc1 ZINC000003554467 342734515 /nfs/dbraw/zinc/73/45/15/342734515.db2.gz XFZNIUMLNKPJGO-UHFFFAOYSA-N 0 0 225.291 2.925 50 0 BFAARN [NH3+][C@@H](C(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000003676808 342736330 /nfs/dbraw/zinc/73/63/30/342736330.db2.gz PTDUZBVRDQXJJC-CYBMUJFWSA-N 0 0 243.262 2.563 50 0 BFAARN CCCCC(=O)Nc1ccc(C)cc1O ZINC000004666477 342750023 /nfs/dbraw/zinc/75/00/23/342750023.db2.gz CBZVFNABLSAHTG-UHFFFAOYSA-N 0 0 207.273 2.829 50 0 BFAARN CC1(C)N=C(c2cccs2)C(C)(C)N1O ZINC000004784590 342752154 /nfs/dbraw/zinc/75/21/54/342752154.db2.gz WFCQSJHRCDPGEU-UHFFFAOYSA-N 0 0 224.329 2.757 50 0 BFAARN CCCCN(C(=O)[C@H]1CCCO1)c1ccccc1 ZINC000004868209 342753578 /nfs/dbraw/zinc/75/35/78/342753578.db2.gz QSNLLCFMSBUQLM-CQSZACIVSA-N 0 0 247.338 2.999 50 0 BFAARN CCC(CC)NC(=O)c1ccc(Cl)c(N)c1 ZINC000021961985 168385918 /nfs/dbraw/zinc/38/59/18/168385918.db2.gz WNZPIUCEVLKUJP-UHFFFAOYSA-N 0 0 240.734 2.841 50 0 BFAARN CCC(CC)NC(=O)c1ccc(NC(C)=O)cc1 ZINC000000031664 168386023 /nfs/dbraw/zinc/38/60/23/168386023.db2.gz WXPZBHJUMMGZJT-UHFFFAOYSA-N 0 0 248.326 2.563 50 0 BFAARN Fc1ccc(C[NH2+]Cc2ccccn2)cc1 ZINC000005050822 342757099 /nfs/dbraw/zinc/75/70/99/342757099.db2.gz KLPCSGOZPBAIQJ-UHFFFAOYSA-N 0 0 216.259 2.511 50 0 BFAARN CCc1nc(=O)c2c3c(sc2[nH]1)CCCCC3 ZINC000005080629 342757740 /nfs/dbraw/zinc/75/77/40/342757740.db2.gz RNFXCLYYQOOWOU-UHFFFAOYSA-N 0 0 248.351 2.816 50 0 BFAARN CCCn1ccc(CNC(=O)c2ccoc2C)c1 ZINC000170614369 361875936 /nfs/dbraw/zinc/87/59/36/361875936.db2.gz RLJHNWNAMXMFJP-UHFFFAOYSA-N 0 0 246.310 2.730 50 0 BFAARN O=C([C@@H]1CC=CCC1)N1CCCCCC1 ZINC000005217939 342760359 /nfs/dbraw/zinc/76/03/59/342760359.db2.gz FKSRKZXBQQILCD-GFCCVEGCSA-N 0 0 207.317 2.745 50 0 BFAARN Cc1cccc(-c2n[nH]c(C3CCC3)n2)c1N ZINC000170614845 361877881 /nfs/dbraw/zinc/87/78/81/361877881.db2.gz OLJCIKRGEDRESL-UHFFFAOYSA-N 0 0 228.299 2.630 50 0 BFAARN CC(C)c1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000005384780 342763036 /nfs/dbraw/zinc/76/30/36/342763036.db2.gz KPKRIBMJTQXTPD-CYBMUJFWSA-N 0 0 233.311 2.928 50 0 BFAARN Cc1cc(C)n(C[C@@H](O)c2ccc(C)cc2)n1 ZINC000005416180 342763672 /nfs/dbraw/zinc/76/36/72/342763672.db2.gz WRDRQGLYQLIQST-CQSZACIVSA-N 0 0 230.311 2.542 50 0 BFAARN O=C1CCOc2c(Cl)ccc(Cl)c21 ZINC000005427747 342763979 /nfs/dbraw/zinc/76/39/79/342763979.db2.gz LYBJCESWEFSPNO-UHFFFAOYSA-N 0 0 217.051 2.959 50 0 BFAARN CN(C)Cc1ccc(F)cc1Br ZINC000042229622 342764620 /nfs/dbraw/zinc/76/46/20/342764620.db2.gz QZNXVMZWDWYTQB-UHFFFAOYSA-N 0 0 232.096 2.650 50 0 BFAARN Clc1ncc(CN2CCCCC2)s1 ZINC000005670268 342768045 /nfs/dbraw/zinc/76/80/45/342768045.db2.gz QDFNRYQWJPYGOX-UHFFFAOYSA-N 0 0 216.737 2.782 50 0 BFAARN CCc1nc(SCc2ccc(OC)cc2)n[nH]1 ZINC000005686698 342768581 /nfs/dbraw/zinc/76/85/81/342768581.db2.gz TVNDHCGSGPVWET-UHFFFAOYSA-N 0 0 249.339 2.668 50 0 BFAARN CC(C)(C)OC(=O)NCCc1ccccc1 ZINC000005726665 342769244 /nfs/dbraw/zinc/76/92/44/342769244.db2.gz VUOOOFYYTHRGJI-UHFFFAOYSA-N 0 0 221.300 2.754 50 0 BFAARN OCc1ccc(Cl)cc1OCC1CC1 ZINC000146773600 342771724 /nfs/dbraw/zinc/77/17/24/342771724.db2.gz CTWTYHHHLJGVEM-UHFFFAOYSA-N 0 0 212.676 2.621 50 0 BFAARN Clc1cccc(Cl)c1CNc1nc[nH]n1 ZINC000005995938 342772452 /nfs/dbraw/zinc/77/24/52/342772452.db2.gz CFUGURZOKBKZEX-UHFFFAOYSA-N 0 0 243.097 2.724 50 0 BFAARN CCN(CC)c1ncccc1Br ZINC000042376199 342773585 /nfs/dbraw/zinc/77/35/85/342773585.db2.gz XOYWQNPWRSICPS-UHFFFAOYSA-N 0 0 229.121 2.690 50 0 BFAARN CC[C@@H](C)NC(=O)CCc1ccc(OC)cc1 ZINC000006116206 342773776 /nfs/dbraw/zinc/77/37/76/342773776.db2.gz DVHNYHUAJALYRV-LLVKDONJSA-N 0 0 235.327 2.543 50 0 BFAARN Cc1cc(C)n(Cc2cnc(Cl)s2)n1 ZINC000006189283 342774874 /nfs/dbraw/zinc/77/48/74/342774874.db2.gz HEUHBYIGECRPTN-UHFFFAOYSA-N 0 0 227.720 2.658 50 0 BFAARN CC(=O)N1[C@@H](c2ccc[nH]2)CC[C@@H]1c1ccc[nH]1 ZINC000006293691 342775950 /nfs/dbraw/zinc/77/59/50/342775950.db2.gz FGFKZEQIPHTPSE-ZIAGYGMSSA-N 0 0 243.310 2.768 50 0 BFAARN O=C(CC1CCCC1)Nc1ccncc1 ZINC000008723387 342803524 /nfs/dbraw/zinc/80/35/24/342803524.db2.gz LGXOZOUJRPFYTF-UHFFFAOYSA-N 0 0 204.273 2.600 50 0 BFAARN COC(=O)c1cncc(-c2ccccc2)c1 ZINC000008700058 342802574 /nfs/dbraw/zinc/80/25/74/342802574.db2.gz CJXJQNNSSJBPBF-UHFFFAOYSA-N 0 0 213.236 2.535 50 0 BFAARN CCN(C(=O)c1cccnc1)C1CCCCC1 ZINC000006593920 342779881 /nfs/dbraw/zinc/77/98/81/342779881.db2.gz GLJMEDJKIHICBT-UHFFFAOYSA-N 0 0 232.327 2.876 50 0 BFAARN CCCC(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000006699259 342781119 /nfs/dbraw/zinc/78/11/19/342781119.db2.gz NAOUTQZYGCMBBP-JTQLQIEISA-N 0 0 221.300 2.673 50 0 BFAARN Cc1ccc(CC(=O)NCc2cccs2)cc1 ZINC000006726287 342781344 /nfs/dbraw/zinc/78/13/44/342781344.db2.gz VCXCANREMADPQP-UHFFFAOYSA-N 0 0 245.347 2.915 50 0 BFAARN Cc1ccc(CC(=O)Nc2ccc(C)cn2)cc1 ZINC000006715721 342781457 /nfs/dbraw/zinc/78/14/57/342781457.db2.gz PRKBBANOODFOEQ-UHFFFAOYSA-N 0 0 240.306 2.880 50 0 BFAARN CCOc1ccccc1NC(=O)N1CCCC1 ZINC000006730433 342781609 /nfs/dbraw/zinc/78/16/09/342781609.db2.gz DPZVQUOLCYKNDG-UHFFFAOYSA-N 0 0 234.299 2.713 50 0 BFAARN Cc1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)on1 ZINC000040473408 538971136 /nfs/dbraw/zinc/97/11/36/538971136.db2.gz RNGUBFLCWHVTMN-VXGBXAGGSA-N 0 0 248.326 2.635 50 0 BFAARN CC(C)(C)OC(=O)NCc1ccccc1 ZINC000006761762 342782516 /nfs/dbraw/zinc/78/25/16/342782516.db2.gz FWOBBEOKTITUHK-UHFFFAOYSA-N 0 0 207.273 2.711 50 0 BFAARN Cc1ccc(NC(=O)C2CCCC2)cc1N ZINC000008703531 342802760 /nfs/dbraw/zinc/80/27/60/342802760.db2.gz QOPHTEQXHFKRIU-UHFFFAOYSA-N 0 0 218.300 2.706 50 0 BFAARN Cc1ccc(C2=NNC(=O)[C@H]3CCCC[C@H]23)cc1 ZINC000006814423 342783788 /nfs/dbraw/zinc/78/37/88/342783788.db2.gz CAGGMZIQVSXHRG-STQMWFEESA-N 0 0 242.322 2.635 50 0 BFAARN Cc1ccc(C(=O)Nc2cccc(C)n2)cc1 ZINC000000407569 178438140 /nfs/dbraw/zinc/43/81/40/178438140.db2.gz KKJDKPDTFKUTOX-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN CCCC(CCC)C(=O)NCc1cccnc1 ZINC000008714233 342803106 /nfs/dbraw/zinc/80/31/06/342803106.db2.gz IXSFUFRHFRIOGN-UHFFFAOYSA-N 0 0 234.343 2.914 50 0 BFAARN Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 ZINC000007468648 342791479 /nfs/dbraw/zinc/79/14/79/342791479.db2.gz UQDXYYVYLAFUPG-UHFFFAOYSA-N 0 0 230.242 2.660 50 0 BFAARN CCOc1ccc(NC(=O)c2cc(C)on2)cc1 ZINC000007639247 342792658 /nfs/dbraw/zinc/79/26/58/342792658.db2.gz GYDYURUGJVRAGH-UHFFFAOYSA-N 0 0 246.266 2.634 50 0 BFAARN Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000002772835 342793242 /nfs/dbraw/zinc/79/32/42/342793242.db2.gz CKXXJTFRQDBQJU-YPMHNXCESA-N 0 0 248.326 2.684 50 0 BFAARN Cc1noc(C)c1C(=O)Nc1ccc(C)c(F)c1 ZINC000007814844 342794050 /nfs/dbraw/zinc/79/40/50/342794050.db2.gz VSMYYSBHYHWJAD-UHFFFAOYSA-N 0 0 248.257 2.991 50 0 BFAARN Cc1ccc(C=O)n1-c1ccc(Cl)cn1 ZINC000009261688 342811493 /nfs/dbraw/zinc/81/14/93/342811493.db2.gz BKGBGVCQXHACRP-UHFFFAOYSA-N 0 0 220.659 2.647 50 0 BFAARN Cc1ccc(C(=O)OCc2ccco2)cc1 ZINC000006702417 178444343 /nfs/dbraw/zinc/44/43/43/178444343.db2.gz BYPWJBLMJWKUNT-UHFFFAOYSA-N 0 0 216.236 2.945 50 0 BFAARN Nc1ccccc1OCCOc1ccccc1 ZINC000008723143 342803593 /nfs/dbraw/zinc/80/35/93/342803593.db2.gz OWCFHGUDMYDGPA-UHFFFAOYSA-N 0 0 229.279 2.727 50 0 BFAARN O=C(CC1CCCC1)Nc1ccccn1 ZINC000008723390 342803615 /nfs/dbraw/zinc/80/36/15/342803615.db2.gz XRKINKIKHABTPB-UHFFFAOYSA-N 0 0 204.273 2.600 50 0 BFAARN CCCCCn1nc(C)c2c1[nH]c(=O)cc2C ZINC000008829013 342805221 /nfs/dbraw/zinc/80/52/21/342805221.db2.gz UWZVXKHMRWPICM-UHFFFAOYSA-N 0 0 233.315 2.532 50 0 BFAARN CCOc1cccc(NC(=O)c2ccco2)c1 ZINC000009816428 342827950 /nfs/dbraw/zinc/82/79/50/342827950.db2.gz HTTJGEXHPYBMCL-UHFFFAOYSA-N 0 0 231.251 2.931 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCc2ccccc21 ZINC000249337122 361963147 /nfs/dbraw/zinc/96/31/47/361963147.db2.gz QZVGYNJPPGFSHV-SWHYSGLUSA-N 0 0 229.323 2.836 50 0 BFAARN NC(=O)c1ccc(-c2ccccc2F)s1 ZINC000046308472 538994622 /nfs/dbraw/zinc/99/46/22/538994622.db2.gz ZSWDPKIGHFLTFW-UHFFFAOYSA-N 0 0 221.256 2.653 50 0 BFAARN Cc1ccoc1-c1nnc(-c2ccco2)o1 ZINC000011690573 342842529 /nfs/dbraw/zinc/84/25/29/342842529.db2.gz BPSWBXNHRDHJPN-UHFFFAOYSA-N 0 0 216.196 2.898 50 0 BFAARN Cc1cc(=O)c2cc(Cl)cc(C)c2[nH]1 ZINC000011768855 342843356 /nfs/dbraw/zinc/84/33/56/342843356.db2.gz PLHFDOQNTFNGTM-UHFFFAOYSA-N 0 0 207.660 2.798 50 0 BFAARN Cc1ccc([C@@H](O)C(F)(F)F)cc1C ZINC000042268182 361976369 /nfs/dbraw/zinc/97/63/69/361976369.db2.gz DDTZKGMNCORHBB-SECBINFHSA-N 0 0 204.191 2.899 50 0 BFAARN Nc1n[nH]c(C(F)(F)F)c1-c1ccc(F)cc1 ZINC000012374682 342850501 /nfs/dbraw/zinc/85/05/01/342850501.db2.gz TXXIFEKWBMRTQX-UHFFFAOYSA-N 0 0 245.179 2.817 50 0 BFAARN CCCn1cc2c(n1)nc(Cl)cc2C ZINC000012398536 342851297 /nfs/dbraw/zinc/85/12/97/342851297.db2.gz YRXNIBQAJDSEDK-UHFFFAOYSA-N 0 0 209.680 2.803 50 0 BFAARN C[C@H]1C[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000032721501 342869160 /nfs/dbraw/zinc/86/91/60/342869160.db2.gz KEROWRDSVUVMLJ-WSVZGWJJSA-N 0 0 233.355 2.583 50 0 BFAARN Cc1scc(C(=O)Nc2ccon2)c1C ZINC000013745840 342871174 /nfs/dbraw/zinc/87/11/74/342871174.db2.gz HZCBTAYZHBVGDV-UHFFFAOYSA-N 0 0 222.269 2.605 50 0 BFAARN CCOc1ccc(NC(=O)NC(C)C)c(C)c1 ZINC000048142095 342876827 /nfs/dbraw/zinc/87/68/27/342876827.db2.gz MPXJZCXZSCMJML-UHFFFAOYSA-N 0 0 236.315 2.924 50 0 BFAARN CC[C@@H](C)NC(=O)c1ccc(C)c(OC)c1 ZINC000032814887 342878274 /nfs/dbraw/zinc/87/82/74/342878274.db2.gz WVNKGQKPMSLJCX-SNVBAGLBSA-N 0 0 221.300 2.532 50 0 BFAARN Fc1ccc(C=Cc2n[nH]c(=S)[nH]2)cc1 ZINC000012679672 342856139 /nfs/dbraw/zinc/85/61/39/342856139.db2.gz PFXVFTIGERGZIQ-ZZXKWVIFSA-N 0 0 221.260 2.777 50 0 BFAARN Nc1nc2c(s1)c(F)ccc2Cl ZINC000015442794 342896441 /nfs/dbraw/zinc/89/64/41/342896441.db2.gz NJNFNLUVAPOZML-UHFFFAOYSA-N 0 0 202.641 2.671 50 0 BFAARN Nc1c(F)cc(Br)cc1Cl ZINC000015444532 342896518 /nfs/dbraw/zinc/89/65/18/342896518.db2.gz BMWOENOCPPYRRS-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN Cc1occc1C(=O)NC(C1CC1)C1CC1 ZINC000032904234 342899320 /nfs/dbraw/zinc/89/93/20/342899320.db2.gz PZAGEBMCAHANDZ-UHFFFAOYSA-N 0 0 219.284 2.506 50 0 BFAARN CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000014397483 342880115 /nfs/dbraw/zinc/88/01/15/342880115.db2.gz UPBPRMPBCDHILN-ZJUUUORDSA-N 0 0 239.290 2.508 50 0 BFAARN CC(C)(C)C(=O)Nc1ccnc(Cl)c1C=O ZINC000014400959 342880258 /nfs/dbraw/zinc/88/02/58/342880258.db2.gz YALAVAYMNJCEBU-UHFFFAOYSA-N 0 0 240.690 2.532 50 0 BFAARN CC[C@@H](C)NC(=O)CCCOc1ccccc1 ZINC000014399897 342880268 /nfs/dbraw/zinc/88/02/68/342880268.db2.gz ASPQNHKOEKHVLH-GFCCVEGCSA-N 0 0 235.327 2.760 50 0 BFAARN Cc1ccc(C(=O)NC(C2CC2)C2CC2)cc1 ZINC000022534265 398319216 /nfs/dbraw/zinc/31/92/16/398319216.db2.gz OWLZIFAZXVYYFR-UHFFFAOYSA-N 0 0 229.323 2.913 50 0 BFAARN COc1cc(Br)ccc1F ZINC000014628933 342882864 /nfs/dbraw/zinc/88/28/64/342882864.db2.gz SEVMQEIGENUPIE-UHFFFAOYSA-N 0 0 205.026 2.597 50 0 BFAARN Cc1cc(C)nc(NCC2CCCC2)n1 ZINC000035234395 342886307 /nfs/dbraw/zinc/88/63/07/342886307.db2.gz FVNNCMHCXKPXNJ-UHFFFAOYSA-N 0 0 205.305 2.696 50 0 BFAARN Clc1cc(Br)cc2n[nH]cc21 ZINC000014983101 342890147 /nfs/dbraw/zinc/89/01/47/342890147.db2.gz MOYPLQILACEGCD-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Clc1cc2[nH]cc(Br)c2cn1 ZINC000014986196 342890403 /nfs/dbraw/zinc/89/04/03/342890403.db2.gz KRXKOASQVGQLHZ-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Nc1ccc(Cl)cc1C(=O)C(F)(F)F ZINC000016159646 342907221 /nfs/dbraw/zinc/90/72/21/342907221.db2.gz NOKSRMDODJGCPZ-UHFFFAOYSA-N 0 0 223.581 2.667 50 0 in-vitro BFAARN CCOc1ccccc1C[NH+]1CCCC1 ZINC000004576193 342900836 /nfs/dbraw/zinc/90/08/36/342900836.db2.gz PLQHVOJRYIZCDT-UHFFFAOYSA-N 0 0 205.301 2.681 50 0 BFAARN O=C(CCc1ccc(Cl)cc1)NCC1CC1 ZINC000032906089 342901145 /nfs/dbraw/zinc/90/11/45/342901145.db2.gz WJJPRJNIMHCAHY-UHFFFAOYSA-N 0 0 237.730 2.799 50 0 BFAARN CCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000016602219 342913397 /nfs/dbraw/zinc/91/33/97/342913397.db2.gz GPFHRAWAPVANQW-UHFFFAOYSA-N 0 0 217.312 2.875 50 0 BFAARN CCCCCn1c2ccccc2nc1CCO ZINC000015922106 342902960 /nfs/dbraw/zinc/90/29/60/342902960.db2.gz UULKIMYUZDOTAZ-UHFFFAOYSA-N 0 0 232.327 2.761 50 0 BFAARN Cc1cc(=S)[nH]c(-c2ccccn2)n1 ZINC000015924404 342903300 /nfs/dbraw/zinc/90/33/00/342903300.db2.gz XFIHRBLXXUILBX-UHFFFAOYSA-N 0 0 203.270 2.510 50 0 BFAARN Cc1cccc(C(=O)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000032909084 342903610 /nfs/dbraw/zinc/90/36/10/342903610.db2.gz WGUFALSKPWOLCP-PHIMTYICSA-N 0 0 232.327 2.508 50 0 BFAARN O=c1cc(-c2ccccc2)nc2n1CCCCC2 ZINC000016769091 342915477 /nfs/dbraw/zinc/91/54/77/342915477.db2.gz IOMCXTDGCYHPCX-UHFFFAOYSA-N 0 0 240.306 2.637 50 0 BFAARN CC(C)[C@@H]1OC[C@@H]2Cc3ccccc3[C@@H]2O1 ZINC000003683757 398324979 /nfs/dbraw/zinc/32/49/79/398324979.db2.gz NOBNLHDWQDMAEA-IACUBPJLSA-N 0 0 218.296 2.929 50 0 biogenic BFAARN CCCCS(=O)(=O)Nc1ccc(C)c(F)c1 ZINC000016973017 342918584 /nfs/dbraw/zinc/91/85/84/342918584.db2.gz HAZHDDRUUFJOSB-UHFFFAOYSA-N 0 0 245.319 2.676 50 0 BFAARN CC(C)CC(=O)Nc1onc2c1CCCC2 ZINC000011914266 346881714 /nfs/dbraw/zinc/88/17/14/346881714.db2.gz UCRFACWUFRWYDM-UHFFFAOYSA-N 0 0 222.288 2.538 50 0 BFAARN CCc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000012341772 346893664 /nfs/dbraw/zinc/89/36/64/346893664.db2.gz DZPOUCQZRNTFFR-JXMROGBWSA-N 0 0 233.292 2.573 50 0 BFAARN Clc1cccc(Cl)c1C1N2CCCN12 ZINC000019169316 342943021 /nfs/dbraw/zinc/94/30/21/342943021.db2.gz MPYAFRMNCKUHHH-UHFFFAOYSA-N 0 0 229.110 2.928 50 0 BFAARN CC(C)C[C@H]1CC(=O)N1C(=O)OC(C)(C)C ZINC000072481920 259333226 /nfs/dbraw/zinc/33/32/26/259333226.db2.gz CIDQRDIGTWFLKG-VIFPVBQESA-N 0 0 227.304 2.569 50 0 BFAARN CCN(Cc1ccccc1)c1ccc(N)cn1 ZINC000019621271 342952470 /nfs/dbraw/zinc/95/24/70/342952470.db2.gz NIBQDAQZJYEFCE-UHFFFAOYSA-N 0 0 227.311 2.690 50 0 BFAARN Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1 ZINC000019689501 342954152 /nfs/dbraw/zinc/95/41/52/342954152.db2.gz HZZRLYJWBJHZHU-UHFFFAOYSA-N 0 0 227.189 2.678 50 0 BFAARN Fc1cccc(CNc2ccccn2)c1 ZINC000019772622 342957083 /nfs/dbraw/zinc/95/70/83/342957083.db2.gz RSZUKMLGWHHWEY-UHFFFAOYSA-N 0 0 202.232 2.833 50 0 BFAARN CCOc1ncnc2sc(C)c(C)c21 ZINC000019797030 342958368 /nfs/dbraw/zinc/95/83/68/342958368.db2.gz NMXGJKLLQSQIBX-UHFFFAOYSA-N 0 0 208.286 2.707 50 0 BFAARN Nc1ccc(NC(=O)C2CCC2)c(Cl)c1 ZINC000020157137 342972964 /nfs/dbraw/zinc/97/29/64/342972964.db2.gz VGOLPVOQEBTYDX-UHFFFAOYSA-N 0 0 224.691 2.661 50 0 BFAARN Nc1ccc(C(=O)NC2CCCC2)c(Cl)c1 ZINC000020220857 342977612 /nfs/dbraw/zinc/97/76/12/342977612.db2.gz JRSRYLWFILEFOI-UHFFFAOYSA-N 0 0 238.718 2.595 50 0 BFAARN CSc1ccc([C@H](C)NC(=O)C2CC2)cc1 ZINC000019935149 342963571 /nfs/dbraw/zinc/96/35/71/342963571.db2.gz QZHYFFPDDOFPFA-VIFPVBQESA-N 0 0 235.352 2.996 50 0 BFAARN O=C(CNc1ccccc1)Nc1cccc(F)c1 ZINC000020035856 342967033 /nfs/dbraw/zinc/96/70/33/342967033.db2.gz JIYZCUWUWVGRFW-UHFFFAOYSA-N 0 0 244.269 2.876 50 0 BFAARN COc1ccc(CNc2ccc(Cl)nn2)cc1 ZINC000020565886 342990781 /nfs/dbraw/zinc/99/07/81/342990781.db2.gz XTQZRFYMDFJRPT-UHFFFAOYSA-N 0 0 249.701 2.751 50 0 BFAARN CC(=O)N1N=CC[C@@H]1[C@@H]1[C@H](C)C=C(C)C[C@@H]1C ZINC000000501196 346911150 /nfs/dbraw/zinc/91/11/50/346911150.db2.gz HUMGQYPYCXKRLK-ZMJPVWNMSA-N 0 0 234.343 2.831 50 0 BFAARN CC(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000020269419 342979527 /nfs/dbraw/zinc/97/95/27/342979527.db2.gz WSYHNOXYCJXCPD-UHFFFAOYSA-N 0 0 207.660 2.953 50 0 BFAARN COC(=O)c1sc2ncc(C(C)=O)cc2c1C ZINC000020283354 342980415 /nfs/dbraw/zinc/98/04/15/342980415.db2.gz PIHBPKIULNRLHT-UHFFFAOYSA-N 0 0 249.291 2.594 50 0 BFAARN Cc1nc(Cl)c(Br)c(Cl)n1 ZINC000020358079 342983570 /nfs/dbraw/zinc/98/35/70/342983570.db2.gz NUVJPDWOENRVSF-UHFFFAOYSA-N 0 0 241.903 2.854 50 0 BFAARN CCN(Cc1ccncc1)C(=O)CC(C)(C)C ZINC000020495844 342987763 /nfs/dbraw/zinc/98/77/63/342987763.db2.gz GLVUFRNJAJVSSA-UHFFFAOYSA-N 0 0 234.343 2.866 50 0 BFAARN CC(C)CNC(=O)c1ccccc1-n1cccc1 ZINC000020721786 342994528 /nfs/dbraw/zinc/99/45/28/342994528.db2.gz QACVSBZGMFWACK-UHFFFAOYSA-N 0 0 242.322 2.863 50 0 BFAARN Cc1ccc(F)cc1NC(=O)[C@H]1C[C@@H]1C ZINC000005698969 346917917 /nfs/dbraw/zinc/91/79/17/346917917.db2.gz FRGJTDTVLSBURU-WPRPVWTQSA-N 0 0 207.248 2.729 50 0 BFAARN Cc1nc(NCC2CC2)sc1-c1ccn(C)n1 ZINC000012054238 343045754 /nfs/dbraw/zinc/04/57/54/343045754.db2.gz BCPNWGJTVCLOJT-UHFFFAOYSA-N 0 0 248.355 2.674 50 0 BFAARN COc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000023114764 343059131 /nfs/dbraw/zinc/05/91/31/343059131.db2.gz PXRYQGYLYYWQMW-BETUJISGSA-N 0 0 249.354 2.613 50 0 BFAARN CC[C@@H](C)C(=O)NC[C@@H](OC)c1ccccc1 ZINC000042751157 362023771 /nfs/dbraw/zinc/02/37/71/362023771.db2.gz PTKOUHHFMXRAAI-DGCLKSJQSA-N 0 0 235.327 2.536 50 0 BFAARN Cc1[nH]c2c(cccc2C(=O)NC2CC2)c1C ZINC000032777794 343087482 /nfs/dbraw/zinc/08/74/82/343087482.db2.gz URSCUIFIWRRCRO-UHFFFAOYSA-N 0 0 228.295 2.677 50 0 BFAARN COCc1cccc(NC(=O)c2ccoc2C)c1 ZINC000025335211 343089522 /nfs/dbraw/zinc/08/95/22/343089522.db2.gz FRYODKLSHYYANG-UHFFFAOYSA-N 0 0 245.278 2.987 50 0 BFAARN O=c1ccc(-c2cccc3ccccc32)n[nH]1 ZINC000026420431 343104714 /nfs/dbraw/zinc/10/47/14/343104714.db2.gz ICAGUJCIYINNRR-UHFFFAOYSA-N 0 0 222.247 2.590 50 0 BFAARN Nc1cccc(-c2nnc(-c3ccccc3)[nH]2)c1 ZINC000026508125 343105986 /nfs/dbraw/zinc/10/59/86/343105986.db2.gz KANPBCGVSTVENC-UHFFFAOYSA-N 0 0 236.278 2.721 50 0 in-vitro BFAARN O=C([O-])c1ccccc1Nc1cc[nH+]cc1 ZINC000026479899 343106152 /nfs/dbraw/zinc/10/61/52/343106152.db2.gz MJHIUTGYCYFAQM-UHFFFAOYSA-N 0 0 214.224 2.523 50 0 BFAARN CONC(=O)c1cccc(Oc2ccccc2)c1 ZINC000025822819 343096090 /nfs/dbraw/zinc/09/60/90/343096090.db2.gz METHXLKHCUUSHD-UHFFFAOYSA-N 0 0 243.262 2.770 50 0 BFAARN CCOc1ncccc1NC(=O)[C@H]1CC=CCC1 ZINC000027515594 343117864 /nfs/dbraw/zinc/11/78/64/343117864.db2.gz AVNYAEIQJDRNOU-NSHDSACASA-N 0 0 246.310 2.775 50 0 BFAARN CC[C@H]1CCCCN1C(=O)NC1CCCC1 ZINC000013328224 362102509 /nfs/dbraw/zinc/10/25/09/362102509.db2.gz BMTKXFWVCPMIIU-LBPRGKRZSA-N 0 0 224.348 2.903 50 0 BFAARN Cc1oc(C)c(C(=O)Nc2nccs2)c1C ZINC000027474028 343117452 /nfs/dbraw/zinc/11/74/52/343117452.db2.gz SDZKBEGHDOOWQF-UHFFFAOYSA-N 0 0 236.296 2.914 50 0 BFAARN C=CC(=O)Nc1ccc(Br)c(C)c1 ZINC000000455029 343138756 /nfs/dbraw/zinc/13/87/56/343138756.db2.gz HZNXQCIUZMCRCJ-UHFFFAOYSA-N 0 0 240.100 2.882 50 0 BFAARN Cc1cc(C)c(NC(=O)C2CC2)c(C)c1 ZINC000000045941 187244460 /nfs/dbraw/zinc/24/44/60/187244460.db2.gz RJGYHYNPOQXNHW-UHFFFAOYSA-N 0 0 203.285 2.960 50 0 BFAARN CC(=O)Nc1nc(C)c(C(C)(C)C)s1 ZINC000000040189 187244574 /nfs/dbraw/zinc/24/45/74/187244574.db2.gz FYVVXDVXJGORDW-UHFFFAOYSA-N 0 0 212.318 2.707 50 0 BFAARN Cc1ccc(C(=O)c2ccc(C)c(N)c2)cc1N ZINC000000050336 187243957 /nfs/dbraw/zinc/24/39/57/187243957.db2.gz XDPPHTHWVVAQFC-UHFFFAOYSA-N 0 0 240.306 2.699 50 0 BFAARN Cc1cc(C)c(NC(=O)C[NH2+]C(C)(C)C)c(C)c1 ZINC000000186662 187244287 /nfs/dbraw/zinc/24/42/87/187244287.db2.gz SUPLEUDYRHBISD-UHFFFAOYSA-N 0 0 248.370 2.938 50 0 BFAARN O=c1[nH]c(C=Cc2ccco2)nc2ccccc12 ZINC000030713642 343195604 /nfs/dbraw/zinc/19/56/04/343195604.db2.gz FTAMMLQOOPFMCF-FPLPWBNLSA-N 0 0 238.246 2.687 50 0 biogenic BFAARN CC(=O)NCCCc1c[nH]c2ccc(C)cc12 ZINC000002026768 187245523 /nfs/dbraw/zinc/24/55/23/187245523.db2.gz MIDGDDFMMSNBFL-UHFFFAOYSA-N 0 0 230.311 2.545 50 0 biogenic BFAARN C/C(=C\c1ccccc1)C(=O)N1CCCC1 ZINC000004952347 187247520 /nfs/dbraw/zinc/24/75/20/187247520.db2.gz WWNSRKLQKKRFKL-VAWYXSNFSA-N 0 0 215.296 2.712 50 0 BFAARN CCOc1cccc(CNC(=O)c2ccco2)c1 ZINC000030850600 343210949 /nfs/dbraw/zinc/21/09/49/343210949.db2.gz SLMCHVDJLBUFAK-UHFFFAOYSA-N 0 0 245.278 2.608 50 0 BFAARN COCc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000007399894 187248681 /nfs/dbraw/zinc/24/86/81/187248681.db2.gz FNKUBZJSJGXMJV-UHFFFAOYSA-N 0 0 247.338 2.896 50 0 BFAARN Nc1cc(-c2cccc(C(F)(F)F)c2)[nH]n1 ZINC000000170835 187244642 /nfs/dbraw/zinc/24/46/42/187244642.db2.gz UKCQZEKREUKMTN-UHFFFAOYSA-N 0 0 227.189 2.678 50 0 BFAARN CCn1nccc1C(=O)Nc1cccc(C)c1C ZINC000000800746 187244900 /nfs/dbraw/zinc/24/49/00/187244900.db2.gz SEPJQOCOJHSYHW-UHFFFAOYSA-N 0 0 243.310 2.772 50 0 BFAARN CC(C)(C)[C@H]1CC(Br)=NO1 ZINC000030678656 343193494 /nfs/dbraw/zinc/19/34/94/343193494.db2.gz OVTHQBDSNGJXQT-RXMQYKEDSA-N 0 0 206.083 2.530 50 0 BFAARN S=C1N=NC(c2ccccc2Cl)O1 ZINC000002474116 187245460 /nfs/dbraw/zinc/24/54/60/187245460.db2.gz AKCRXJLXQXIAPA-UHFFFAOYSA-N 0 0 212.661 2.679 50 0 BFAARN CSc1nc(CSC(C)C)cc(=O)[nH]1 ZINC000031773413 343224402 /nfs/dbraw/zinc/22/44/02/343224402.db2.gz AATFVYPYGSMWJH-UHFFFAOYSA-N 0 0 230.358 2.546 50 0 BFAARN O=C(OCc1ccccc1)N1CC=CCC1 ZINC000031829548 343225613 /nfs/dbraw/zinc/22/56/13/343225613.db2.gz YWKYQRWNOXUYJK-UHFFFAOYSA-N 0 0 217.268 2.585 50 0 BFAARN Nc1ccc2[nH]nc(-c3ccccc3)c2c1 ZINC000031990405 343227566 /nfs/dbraw/zinc/22/75/66/343227566.db2.gz MOBJHQPTGMYKCJ-UHFFFAOYSA-N 0 0 209.252 2.812 50 0 BFAARN FCCCOc1ccc([C@H]2[NH2+]CCS2)cc1 ZINC000012336769 187250844 /nfs/dbraw/zinc/25/08/44/187250844.db2.gz YJMNOVGUJOGKGS-LBPRGKRZSA-N 0 0 241.331 2.760 50 0 BFAARN FC(F)c1ccncc1Br ZINC000032299483 343231622 /nfs/dbraw/zinc/23/16/22/343231622.db2.gz KCMMLUVZVBBEFO-UHFFFAOYSA-N 0 0 208.005 2.782 50 0 BFAARN O=C(CC1CCCC1)NCCc1ccccc1 ZINC000008723293 187249254 /nfs/dbraw/zinc/24/92/54/187249254.db2.gz AOSLVHFIGFKZCH-UHFFFAOYSA-N 0 0 231.339 2.926 50 0 BFAARN CC[C@@H](C)[C@H](C)NC(=O)c1cccc(OC)c1 ZINC000048309521 343240406 /nfs/dbraw/zinc/24/04/06/343240406.db2.gz VIGYEJISJWFCLU-MNOVXSKESA-N 0 0 235.327 2.860 50 0 BFAARN Cn1cc(-c2nc3ccccc3s2)cn1 ZINC000032769330 343242369 /nfs/dbraw/zinc/24/23/69/343242369.db2.gz METLFGMLNIBQBP-UHFFFAOYSA-N 0 0 215.281 2.697 50 0 BFAARN CC(C)[C@H](C)NC(=O)c1ccc(N(C)C)cc1 ZINC000009322827 187249781 /nfs/dbraw/zinc/24/97/81/187249781.db2.gz ROESNJICJNLDMD-NSHDSACASA-N 0 0 234.343 2.527 50 0 BFAARN Cc1c(Br)cnc2c1CCCN2 ZINC000032915112 343244310 /nfs/dbraw/zinc/24/43/10/343244310.db2.gz LOZNNBXDTGTNJW-UHFFFAOYSA-N 0 0 227.105 2.511 50 0 BFAARN Fc1ncccc1-c1ccc(Cl)cn1 ZINC000012359396 187250149 /nfs/dbraw/zinc/25/01/49/187250149.db2.gz SYJPQVCWWIZERQ-UHFFFAOYSA-N 0 0 208.623 2.936 50 0 BFAARN Cc1ccc2nc(-c3cccnc3)oc(=O)c2c1 ZINC000012421344 187250236 /nfs/dbraw/zinc/25/02/36/187250236.db2.gz ZJIGGMFJOZOIQE-UHFFFAOYSA-N 0 0 238.246 2.558 50 0 BFAARN Nc1cc(OC(F)(F)F)ccc1Cl ZINC000034078970 343264390 /nfs/dbraw/zinc/26/43/90/343264390.db2.gz BRHNMISYMABKDU-UHFFFAOYSA-N 0 0 211.570 2.821 50 0 BFAARN Cc1cc(C)nc(NCCc2cccs2)n1 ZINC000035206302 343289662 /nfs/dbraw/zinc/28/96/62/343289662.db2.gz ALGQPNQGBDQJBH-UHFFFAOYSA-N 0 0 233.340 2.810 50 0 BFAARN COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000034300879 343267936 /nfs/dbraw/zinc/26/79/36/343267936.db2.gz QFQSBAMTGUKFKS-UHFFFAOYSA-N 0 0 222.027 2.910 50 0 BFAARN CCC(=O)C[C@](O)(c1ccccc1)C(F)(F)F ZINC000000051216 343268956 /nfs/dbraw/zinc/26/89/56/343268956.db2.gz QCVZPLFWQXHAKD-NSHDSACASA-N 0 0 246.228 2.806 50 0 BFAARN Cn1c2ccccc2nc1-c1ccccn1 ZINC000000302073 343269334 /nfs/dbraw/zinc/26/93/34/343269334.db2.gz NVWRQUXLFNJECF-UHFFFAOYSA-N 0 0 209.252 2.635 50 0 BFAARN Cc1ccc(NC=C2C(=O)CCCC2=O)cc1 ZINC000000447213 343269877 /nfs/dbraw/zinc/26/98/77/343269877.db2.gz GVCAOZUNIZFLIH-UHFFFAOYSA-N 0 0 229.279 2.613 50 0 BFAARN CCCCCOC(=O)Nc1nccs1 ZINC000003110058 343273037 /nfs/dbraw/zinc/27/30/37/343273037.db2.gz ZESSJMDPEOUONX-UHFFFAOYSA-N 0 0 214.290 2.882 50 0 BFAARN CC(=O)OC(C)(C)C(=O)CCc1ccccc1 ZINC000004948125 343273380 /nfs/dbraw/zinc/27/33/80/343273380.db2.gz VEXHDBZGERSBFX-UHFFFAOYSA-N 0 0 234.295 2.530 50 0 BFAARN CCOC(=O)c1csc(Br)c1 ZINC000034526658 343274350 /nfs/dbraw/zinc/27/43/50/343274350.db2.gz LUYMKCLOYODOEI-UHFFFAOYSA-N 0 0 235.102 2.687 50 0 BFAARN Nc1cccc(C(=O)OCc2ccccc2)c1 ZINC000034552923 343274519 /nfs/dbraw/zinc/27/45/19/343274519.db2.gz YQEQHIZMMDWDOV-UHFFFAOYSA-N 0 0 227.263 2.626 50 0 BFAARN CCOc1ccccc1NC(=O)c1cccn1C ZINC000032962596 343278879 /nfs/dbraw/zinc/27/88/79/343278879.db2.gz IQFJKYDJCWJMGW-UHFFFAOYSA-N 0 0 244.294 2.676 50 0 BFAARN OC1(c2cnc(Cl)cc2Cl)CCC1 ZINC000146304494 343290429 /nfs/dbraw/zinc/29/04/29/343290429.db2.gz RUHKIRYTLQLLMC-UHFFFAOYSA-N 0 0 218.083 2.760 50 0 BFAARN COC(=O)CCOc1ccc(Cl)cc1Cl ZINC000034937359 343281190 /nfs/dbraw/zinc/28/11/90/343281190.db2.gz MKNBYTBUULRHFA-UHFFFAOYSA-N 0 0 249.093 2.935 50 0 BFAARN O=C(c1ccsc1)[C@@H](O)c1ccsc1 ZINC000036439231 343318653 /nfs/dbraw/zinc/31/86/53/343318653.db2.gz SCZZSZQLTIZGQT-VIFPVBQESA-N 0 0 224.306 2.726 50 0 BFAARN Cc1c2cnn(C)c2ccc1Br ZINC000036533434 343319916 /nfs/dbraw/zinc/31/99/16/343319916.db2.gz WUBOGWOQGQGGGP-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Cc1ccc2c(cnn2C)c1Br ZINC000036533426 343320130 /nfs/dbraw/zinc/32/01/30/343320130.db2.gz IHCMWPGWHNBZAO-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Cc1ccc(Br)c2nsnc21 ZINC000022004548 187254074 /nfs/dbraw/zinc/25/40/74/187254074.db2.gz MZFRKYXVQYNOFA-UHFFFAOYSA-N 0 0 229.102 2.762 50 0 BFAARN COC(=O)c1ccccc1NCc1ccco1 ZINC000036803889 343324430 /nfs/dbraw/zinc/32/44/30/343324430.db2.gz FDXBUBMKUSUBEE-UHFFFAOYSA-N 0 0 231.251 2.678 50 0 BFAARN CC(C)n1ncc2cc(NCC3CC3)cnc21 ZINC000036882480 343326376 /nfs/dbraw/zinc/32/63/76/343326376.db2.gz XKQLZDTXHWVVMT-UHFFFAOYSA-N 0 0 230.315 2.834 50 0 BFAARN O=C(c1cccnc1)c1ccc(F)c(F)c1 ZINC000036941597 343328404 /nfs/dbraw/zinc/32/84/04/343328404.db2.gz RZEXCZJJQFDSMN-UHFFFAOYSA-N 0 0 219.190 2.591 50 0 BFAARN Nc1cc2cc(Br)ccc2cn1 ZINC000035270064 343291376 /nfs/dbraw/zinc/29/13/76/343291376.db2.gz PQKLBIXLXFRNKT-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Nc1cccc(C(F)(F)C(F)(F)F)c1 ZINC000035570366 343297945 /nfs/dbraw/zinc/29/79/45/343297945.db2.gz ABJVXSCTJMFIEM-UHFFFAOYSA-N 0 0 211.133 2.923 50 0 BFAARN Clc1cc(Oc2ccccc2)ncn1 ZINC000035882175 343305256 /nfs/dbraw/zinc/30/52/56/343305256.db2.gz KHGWFZBIISKKRP-UHFFFAOYSA-N 0 0 206.632 2.922 50 0 BFAARN CN(C)c1ccc(NC(=O)NC2CCCC2)cc1 ZINC000048468873 343307796 /nfs/dbraw/zinc/30/77/96/343307796.db2.gz YCFVICBQDRWMCM-UHFFFAOYSA-N 0 0 247.342 2.817 50 0 BFAARN O=Cc1ccc2c(ccn2Cc2cccnc2)c1 ZINC000020479401 187253833 /nfs/dbraw/zinc/25/38/33/187253833.db2.gz BBTYLTXCELCDPC-UHFFFAOYSA-N 0 0 236.274 2.897 50 0 BFAARN Nc1nccc2cc(C(F)(F)F)ccc12 ZINC000036258026 343313054 /nfs/dbraw/zinc/31/30/54/343313054.db2.gz DPYKWKCCUGWJCZ-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN Cc1cn2cc(Br)c(C)cc2n1 ZINC000036243588 343313244 /nfs/dbraw/zinc/31/32/44/343313244.db2.gz NMERPDYDFXTSQG-UHFFFAOYSA-N 0 0 225.089 2.714 50 0 BFAARN COC(=O)/C(=C/c1ccsc1)c1ccncc1 ZINC000071795729 343372680 /nfs/dbraw/zinc/37/26/80/343372680.db2.gz LTHQYGZJZZBLTC-XYOKQWHBSA-N 0 0 245.303 2.857 50 0 BFAARN COC(=O)CCCn1ccnc1-c1ccccc1 ZINC000038302783 343373785 /nfs/dbraw/zinc/37/37/85/343373785.db2.gz MZZXGGIGIAYECE-UHFFFAOYSA-N 0 0 244.294 2.503 50 0 BFAARN Nc1ccc(Cl)c(OC(F)(F)F)c1 ZINC000038529629 343376034 /nfs/dbraw/zinc/37/60/34/343376034.db2.gz RWTSQATWCKAOBB-UHFFFAOYSA-N 0 0 211.570 2.821 50 0 BFAARN CCOc1c(F)cc(C(C)=O)cc1F ZINC000038529878 343376068 /nfs/dbraw/zinc/37/60/68/343376068.db2.gz ZKFNHJQYENLQNK-UHFFFAOYSA-N 0 0 200.184 2.566 50 0 BFAARN CC(C)[C@H](C)NC(=O)Nc1ccccc1N(C)C ZINC000040104734 187255623 /nfs/dbraw/zinc/25/56/23/187255623.db2.gz KWAWQDIUZQASGF-NSHDSACASA-N 0 0 249.358 2.919 50 0 BFAARN CC(C)[C@H](C)NC(=O)CCOc1ccccc1 ZINC000039975632 187255731 /nfs/dbraw/zinc/25/57/31/187255731.db2.gz DAASIUHENUGBJD-LBPRGKRZSA-N 0 0 235.327 2.616 50 0 BFAARN COc1cc(Br)ccc1C ZINC000028278329 187255823 /nfs/dbraw/zinc/25/58/23/187255823.db2.gz RAQYGVDRDNKTOM-UHFFFAOYSA-N 0 0 201.063 2.766 50 0 BFAARN Nc1cccc(Sc2ccccc2)n1 ZINC000039370236 187255984 /nfs/dbraw/zinc/25/59/84/187255984.db2.gz IAKSFXUGSZVVJO-UHFFFAOYSA-N 0 0 202.282 2.815 50 0 BFAARN C[NH+](C)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000037425148 343345556 /nfs/dbraw/zinc/34/55/56/343345556.db2.gz FBZPIHFBJZHLPX-SECBINFHSA-N 0 0 248.109 2.681 50 0 biogenic,in-vitro BFAARN CC(C)CNC(=O)NCc1ccccc1Cl ZINC000032862697 187256645 /nfs/dbraw/zinc/25/66/45/187256645.db2.gz QCPGDLVRQJYRBK-UHFFFAOYSA-N 0 0 240.734 2.795 50 0 BFAARN CCCC(=O)Nc1ccc(OC)cc1C ZINC000013326918 346935387 /nfs/dbraw/zinc/93/53/87/346935387.db2.gz TVLVTZVPJNKUJR-UHFFFAOYSA-N 0 0 207.273 2.742 50 0 BFAARN COc1c(C)cccc1Br ZINC000039193345 343386578 /nfs/dbraw/zinc/38/65/78/343386578.db2.gz VUIUOSKXGNEORM-UHFFFAOYSA-N 0 0 201.063 2.766 50 0 BFAARN Cc1cc(C)cc(CSc2nncn2C)c1 ZINC000040456922 343404815 /nfs/dbraw/zinc/40/48/15/343404815.db2.gz LYQFGGVAUMQSHH-UHFFFAOYSA-N 0 0 233.340 2.724 50 0 BFAARN C/C=C/CCNC(=O)c1ccccc1C(C)=O ZINC000073726591 187261320 /nfs/dbraw/zinc/26/13/20/187261320.db2.gz MCJQAAGZNOPQCH-ONEGZZNKSA-N 0 0 231.295 2.585 50 0 BFAARN CCCc1ccc([C@@H](O)Cn2ccnc2)cc1 ZINC000041256306 343417795 /nfs/dbraw/zinc/41/77/95/343417795.db2.gz SBMMRMXIJVRSQU-AWEZNQCLSA-N 0 0 230.311 2.569 50 0 BFAARN Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000042411069 343436473 /nfs/dbraw/zinc/43/64/73/343436473.db2.gz ANFGHXIJUMZYLO-UHFFFAOYSA-N 0 0 241.159 2.932 50 0 BFAARN Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)[O-])cc1 ZINC000262671205 136374716 /nfs/dbraw/zinc/37/47/16/136374716.db2.gz RRXZMDYELSYBEX-UONOGXRCSA-N 0 0 247.338 2.648 50 0 BFAARN O=C1CSC2(CCC(c3ccccc3)CC2)N1 ZINC000043827831 343485318 /nfs/dbraw/zinc/48/53/18/343485318.db2.gz ZZULYAVBOQSSIA-UHFFFAOYSA-N 0 0 247.363 2.904 50 0 BFAARN CCN(CC)c1ccc(C(F)(F)F)cn1 ZINC000020638965 349812774 /nfs/dbraw/zinc/81/27/74/349812774.db2.gz CIZAGFZTOGKOBA-UHFFFAOYSA-N 0 0 218.222 2.947 50 0 BFAARN COc1cc(C(F)(F)F)cc(Cl)n1 ZINC000044154544 343493677 /nfs/dbraw/zinc/49/36/77/343493677.db2.gz FWEFQJNETFIPKG-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN O=C(c1cccc(C2OCCO2)c1)C1CCC1 ZINC000043212602 343465824 /nfs/dbraw/zinc/46/58/24/343465824.db2.gz AOLDONLFTMXSJM-UHFFFAOYSA-N 0 0 232.279 2.715 50 0 BFAARN CCc1ccc(C(=O)c2cccc(OC)n2)cc1 ZINC000045028743 343521503 /nfs/dbraw/zinc/52/15/03/343521503.db2.gz CRGFGIIJPIPFNF-UHFFFAOYSA-N 0 0 241.290 2.884 50 0 BFAARN Cc1ccnc(C(=O)c2ccc(F)cc2)c1 ZINC000045028599 343521529 /nfs/dbraw/zinc/52/15/29/343521529.db2.gz JJHNUJGRXLLNLL-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN CC(=O)N(C(C)=O)c1c(Cl)cccc1Cl ZINC000039296616 187263336 /nfs/dbraw/zinc/26/33/36/187263336.db2.gz CKPQWEDVABNFEH-UHFFFAOYSA-N 0 0 246.093 2.893 50 0 BFAARN CC(=O)c1cn(-c2cc(F)cc(F)c2)nc1C ZINC000575602944 343591832 /nfs/dbraw/zinc/59/18/32/343591832.db2.gz XNPOLOKMIZAECE-UHFFFAOYSA-N 0 0 236.221 2.662 50 0 BFAARN CCc1c(-c2csc(N)n2)[nH]c(C)c1C(C)=O ZINC000049078833 343592772 /nfs/dbraw/zinc/59/27/72/343592772.db2.gz PJRXINWLOORFIP-UHFFFAOYSA-N 0 0 249.339 2.794 50 0 BFAARN CC(C)COc1ncccc1Br ZINC000042376411 187265722 /nfs/dbraw/zinc/26/57/22/187265722.db2.gz MOAOATMDGITQHH-UHFFFAOYSA-N 0 0 230.105 2.879 50 0 BFAARN CC(C)=CC(=O)N(Cc1ccccn1)C1CC1 ZINC000040465402 187264427 /nfs/dbraw/zinc/26/44/27/187264427.db2.gz ARWDRCDUHKLANT-UHFFFAOYSA-N 0 0 230.311 2.539 50 0 BFAARN CC(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000045442666 187269184 /nfs/dbraw/zinc/26/91/84/187269184.db2.gz HXFXYSLGEXMEGK-MRVPVSSYSA-N 0 0 211.692 2.879 50 0 BFAARN CC(C)[C@H]1CCCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC000049095498 187269281 /nfs/dbraw/zinc/26/92/81/187269281.db2.gz CQDHPBSHFRJTCQ-CYBMUJFWSA-N 0 0 247.342 2.548 50 0 BFAARN Cc1ccc(C(=O)c2ccccc2C)nc1 ZINC000045028528 187269577 /nfs/dbraw/zinc/26/95/77/187269577.db2.gz TUWQEGKNSBUINQ-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN Cc1cc2[nH]cnc2c(Br)c1 ZINC000062152742 343734302 /nfs/dbraw/zinc/73/43/02/343734302.db2.gz QIFKZWBUTNDYFB-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1[nH]c2ccccc2c1C[C@H]1C[C@@H](C)OC1=O ZINC000000518770 346959751 /nfs/dbraw/zinc/95/97/51/346959751.db2.gz LBCSSFHBUUXFJE-MWLCHTKSSA-N 0 0 243.306 2.970 50 0 biogenic BFAARN C[C@@H](CC(=O)Nc1cccc(F)c1)n1ccnc1 ZINC000021917328 343778439 /nfs/dbraw/zinc/77/84/39/343778439.db2.gz MJHXIXMUQJRGMN-JTQLQIEISA-N 0 0 247.273 2.612 50 0 BFAARN c1cn(C2CCCC2)nc1CN1CCCCC1 ZINC000089884711 343749010 /nfs/dbraw/zinc/74/90/10/343749010.db2.gz ULSPBNDKTGVYNP-UHFFFAOYSA-N 0 0 233.359 2.984 50 0 BFAARN CCC/C=C/c1cccc(F)c1C(N)=O ZINC000071278525 187275477 /nfs/dbraw/zinc/27/54/77/187275477.db2.gz LZVZPPZRCMBTOG-GQCTYLIASA-N 0 0 207.248 2.738 50 0 BFAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC1 ZINC000065520496 187274355 /nfs/dbraw/zinc/27/43/55/187274355.db2.gz WLWKTSRHSNINOD-UHFFFAOYSA-N 0 0 245.253 2.932 50 0 BFAARN Clc1ccc2c(c1)ncnc2N1CCCC1 ZINC000014245550 346988060 /nfs/dbraw/zinc/98/80/60/346988060.db2.gz MIQOFYSXDJCOCW-UHFFFAOYSA-N 0 0 233.702 2.883 50 0 BFAARN CC(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000298391923 187352329 /nfs/dbraw/zinc/35/23/29/187352329.db2.gz UENKEFYXNFQIIC-UHFFFAOYSA-N 0 0 232.110 2.972 50 0 in-vitro BFAARN CC(C)(C)OC(=O)N[C@H]1CCCc2cccnc21 ZINC000071863742 187276536 /nfs/dbraw/zinc/27/65/36/187276536.db2.gz IPGXGELCTJPNDX-NSHDSACASA-N 0 0 248.326 2.984 50 0 BFAARN CC(=O)O[C@H]1CCCc2nc3ccccc3nc21 ZINC000071774007 187276549 /nfs/dbraw/zinc/27/65/49/187276549.db2.gz UNNACXNGRXPBCE-ZDUSSCGKSA-N 0 0 242.278 2.570 50 0 BFAARN CC[C@]1(C)Cc2c(sc3ncnc(N)c32)CO1 ZINC000000554198 347004227 /nfs/dbraw/zinc/00/42/27/347004227.db2.gz XXYCCFUVLDEDFW-GFCCVEGCSA-N 0 0 249.339 2.515 50 0 BFAARN Cc1cc(C(=O)N[C@H]2CC[C@H](F)C2)c(C)o1 ZINC000334515026 343890520 /nfs/dbraw/zinc/89/05/20/343890520.db2.gz DANZOXLFZVOYRZ-UWVGGRQHSA-N 0 0 225.263 2.517 50 0 BFAARN CC1(C)CCN(c2ncc(C(F)F)cn2)C1 ZINC000334645142 343900019 /nfs/dbraw/zinc/90/00/19/343900019.db2.gz DWDCMIDLGVRWEH-UHFFFAOYSA-N 0 0 227.258 2.651 50 0 BFAARN O=C(Nc1nccs1)[C@@H]1CCC[C@H](F)C1 ZINC000335106669 343928416 /nfs/dbraw/zinc/92/84/16/343928416.db2.gz BTXIJIZEWXAKDT-SFYZADRCSA-N 0 0 228.292 2.610 50 0 BFAARN CCCC(=O)N[C@H](C)c1ccc(C)cc1 ZINC000040456242 343956234 /nfs/dbraw/zinc/95/62/34/343956234.db2.gz GGHACBQAPBYVOH-LLVKDONJSA-N 0 0 205.301 2.972 50 0 BFAARN CCOc1cc(C[NH2+]Cc2ccco2)ccc1O ZINC000004700561 343968164 /nfs/dbraw/zinc/96/81/64/343968164.db2.gz XWBTZHZKCKKPNB-UHFFFAOYSA-N 0 0 247.294 2.674 50 0 BFAARN C[C@@]1(O)c2ccccc2-c2ccccc2[C@@]1(C)O ZINC000000042736 344068208 /nfs/dbraw/zinc/06/82/08/344068208.db2.gz PVSIBGSXKKPZNX-HZPDHXFCSA-N 0 0 240.302 2.782 50 0 BFAARN CC(=O)N[C@@H](Cc1ccccc1)C(C)(C)C ZINC000095959980 187288682 /nfs/dbraw/zinc/28/86/82/187288682.db2.gz DSJDTLINJDZEII-ZDUSSCGKSA-N 0 0 219.328 2.780 50 0 BFAARN C[C@H]1Oc2c(cc(Br)cc2F)C1=O ZINC000105738251 344154596 /nfs/dbraw/zinc/15/45/96/344154596.db2.gz JIVUCCWRHOXFKC-SCSAIBSYSA-N 0 0 245.047 2.552 50 0 BFAARN CC(C)[C@]1(O)c2ccccc2-c2ncccc21 ZINC000000088195 344324403 /nfs/dbraw/zinc/32/44/03/344324403.db2.gz VQGAKSMYTWYVAJ-HNNXBMFYSA-N 0 0 225.291 2.954 50 0 BFAARN Cc1ccc(NC2=NCCCS2)cc1 ZINC000000093579 344332087 /nfs/dbraw/zinc/33/20/87/344332087.db2.gz JOPKJTCYRRAFMY-UHFFFAOYSA-N 0 0 206.314 2.900 50 0 BFAARN C/N=c1/scc(-c2ccc(Cl)cc2)n1C ZINC000100378601 187290368 /nfs/dbraw/zinc/29/03/68/187290368.db2.gz WNBWWSGKEXWPLK-ACCUITESSA-N 0 0 238.743 2.938 50 0 BFAARN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cn[nH]c1 ZINC000072289027 344304733 /nfs/dbraw/zinc/30/47/33/344304733.db2.gz XZPJHYVGRPNBKF-SCVCMEIPSA-N 0 0 248.330 2.595 50 0 BFAARN CCC[C@H]1CCCC[C@H]1NC(=O)NCC ZINC000071796301 344430305 /nfs/dbraw/zinc/43/03/05/344430305.db2.gz JGIMTQYGTUYZSK-WDEREUQCSA-N 0 0 212.337 2.664 50 0 BFAARN CCCCOc1ccc(F)c(CO)c1F ZINC000098210644 344407664 /nfs/dbraw/zinc/40/76/64/344407664.db2.gz YSWGILMYFQFJSR-UHFFFAOYSA-N 0 0 216.227 2.636 50 0 BFAARN Cc1cc(C(=O)Cc2ccncn2)ccc1Cl ZINC000072233461 344519055 /nfs/dbraw/zinc/51/90/55/344519055.db2.gz HPMYXDANSXYJKK-UHFFFAOYSA-N 0 0 246.697 2.864 50 0 BFAARN COc1cccc2c1C(=O)CCN2CC(C)C ZINC000072233401 344519294 /nfs/dbraw/zinc/51/92/94/344519294.db2.gz IWXIWABWXYYNLX-UHFFFAOYSA-N 0 0 233.311 2.744 50 0 BFAARN CO[C@@H](c1ccccc1)P(=O)(OC)OC ZINC000003161494 344533255 /nfs/dbraw/zinc/53/32/55/344533255.db2.gz VCFQVZPOBWHIHB-SNVBAGLBSA-N 0 0 230.200 2.818 50 0 BFAARN CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)[O-] ZINC000237029032 344560955 /nfs/dbraw/zinc/56/09/55/344560955.db2.gz LSXKWPWKWQZJNU-KBPBESRZSA-N 0 0 247.338 2.729 50 0 BFAARN Nc1ccccc1C(=O)Nc1cccnc1Cl ZINC000000227766 344650740 /nfs/dbraw/zinc/65/07/40/344650740.db2.gz WGPYXKVYVYAEIM-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN CC(=O)Nc1ccc(NCc2ccco2)cc1 ZINC000000246024 344659235 /nfs/dbraw/zinc/65/92/35/344659235.db2.gz BHRJVOXHWXDERW-UHFFFAOYSA-N 0 0 230.267 2.850 50 0 BFAARN Clc1ccccc1-c1nnc2n1CCS2 ZINC000000353172 344724451 /nfs/dbraw/zinc/72/44/51/344724451.db2.gz NXNAQEFESGOGKT-UHFFFAOYSA-N 0 0 237.715 2.704 50 0 BFAARN Cc1ccc([C@H](O)c2cnc(C(C)C)n2C)cc1 ZINC000000372976 344734329 /nfs/dbraw/zinc/73/43/29/344734329.db2.gz VYJBNUIOSKMFRF-AWEZNQCLSA-N 0 0 244.338 2.934 50 0 BFAARN Cc1ccccc1-c1nnc(-c2ccccc2)nn1 ZINC000000384511 344739655 /nfs/dbraw/zinc/73/96/55/344739655.db2.gz SPFCFNDEZPMCBI-UHFFFAOYSA-N 0 0 248.289 2.909 50 0 BFAARN CC(=O)[C@H](C)Nc1ccc2ncccc2c1 ZINC000000346144 344713899 /nfs/dbraw/zinc/71/38/99/344713899.db2.gz RZHTVTUWINJWGZ-VIFPVBQESA-N 0 0 214.268 2.624 50 0 BFAARN CC[C@H]1CCc2c(=O)c3ccccc3n(C)c2O1 ZINC000000345803 344714635 /nfs/dbraw/zinc/71/46/35/344714635.db2.gz QWPPFJOKFAZOGR-JTQLQIEISA-N 0 0 243.306 2.642 50 0 BFAARN Fc1ccc(-c2nnc(-c3ccncc3)o2)cc1 ZINC000000347998 344715724 /nfs/dbraw/zinc/71/57/24/344715724.db2.gz LHDHILZFBURKMM-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN CC1(C)O[C@@H]2CCC=C(Br)[C@@H]2O1 ZINC000000347919 344715846 /nfs/dbraw/zinc/71/58/46/344715846.db2.gz BNLUNMGTGCQECR-SFYZADRCSA-N 0 0 233.105 2.579 50 0 BFAARN CC1(C)C[C@@](C)(O)P(c2ccccc2)O1 ZINC000003201299 344716684 /nfs/dbraw/zinc/71/66/84/344716684.db2.gz NCCPRLWZBKOENA-SFVWDYPZSA-N 0 0 224.240 2.616 50 0 BFAARN CN1c2ccccc2/C(=C/c2cccnc2)C1=O ZINC000000575098 347081541 /nfs/dbraw/zinc/08/15/41/347081541.db2.gz NOMFLOHGSFPOBN-LCYFTJDESA-N 0 0 236.274 2.599 50 0 BFAARN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)nc1 ZINC000049376562 178745537 /nfs/dbraw/zinc/74/55/37/178745537.db2.gz UOVCFOVTDOHRQN-WDEREUQCSA-N 0 0 242.278 2.725 50 0 BFAARN Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)c(F)c1 ZINC000032960652 178745588 /nfs/dbraw/zinc/74/55/88/178745588.db2.gz UVQQBXXBCAUDRX-RKDXNWHRSA-N 0 0 207.248 2.729 50 0 BFAARN Cc1cc(-c2n[nH]c(C(C)(C)C)n2)ccc1O ZINC000426632851 344830674 /nfs/dbraw/zinc/83/06/74/344830674.db2.gz IDJPESXTNAJXLF-UHFFFAOYSA-N 0 0 231.299 2.783 50 0 BFAARN Cc1ccc(NC(=O)c2cccc(N)c2)cc1 ZINC000000243214 178753065 /nfs/dbraw/zinc/75/30/65/178753065.db2.gz SFMBQQUKFGHDDU-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN CCc1cc(C(C)(C)C)nc(CC)c1C(N)=O ZINC000000387568 344881831 /nfs/dbraw/zinc/88/18/31/344881831.db2.gz AJJGWSONTYSNIW-UHFFFAOYSA-N 0 0 234.343 2.603 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000249296219 537870850 /nfs/dbraw/zinc/87/08/50/537870850.db2.gz BGWHGSUFDVQZRR-MROQNXINSA-N 0 0 221.344 2.824 50 0 BFAARN COC(=O)/C(Br)=C/c1ccccc1 ZINC000033845908 344971876 /nfs/dbraw/zinc/97/18/76/344971876.db2.gz UDGLSFZOLJZPTH-CLFYSBASSA-N 0 0 241.084 2.595 50 0 BFAARN CC(=O)OC[C@]12CO[C@@H](C)[C@H](C1)C(C)=C[C@H]2C ZINC000000187151 187298452 /nfs/dbraw/zinc/29/84/52/187298452.db2.gz FLTREWUZEUGCGE-ZMJPVWNMSA-N 0 0 238.327 2.557 50 0 biogenic BFAARN CC(=O)[C@@H](C)Nc1ccc2ncccc2c1 ZINC000000346146 187298309 /nfs/dbraw/zinc/29/83/09/187298309.db2.gz RZHTVTUWINJWGZ-SECBINFHSA-N 0 0 214.268 2.624 50 0 BFAARN Cc1ccc(Oc2cccnc2)c(N)c1 ZINC000014629660 178821374 /nfs/dbraw/zinc/82/13/74/178821374.db2.gz MTLURUSPEHHIKT-UHFFFAOYSA-N 0 0 200.241 2.765 50 0 BFAARN CC(=O)C=C1NC(C)(C)Cc2ccccc21 ZINC000000231740 187300728 /nfs/dbraw/zinc/30/07/28/187300728.db2.gz GJPPBYCPCDOSHJ-JYRVWZFOSA-N 0 0 215.296 2.541 50 0 BFAARN CCC1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000013330307 168519869 /nfs/dbraw/zinc/51/98/69/168519869.db2.gz HBTRWXUALNGKBA-UHFFFAOYSA-N 0 0 236.315 2.682 50 0 BFAARN CC(=O)N(c1ccccc1)[C@@H](C)C1CC1 ZINC000000392691 187300446 /nfs/dbraw/zinc/30/04/46/187300446.db2.gz IPPIQXVCIYXHBG-JTQLQIEISA-N 0 0 203.285 2.838 50 0 BFAARN Cc1ccc(SCc2nnc(N)s2)cc1 ZINC000002217038 178829610 /nfs/dbraw/zinc/82/96/10/178829610.db2.gz FKLBLCYIRCCGAK-UHFFFAOYSA-N 0 0 237.353 2.721 50 0 BFAARN CCNc1ccc(Br)c(C)c1N ZINC000307235865 345248925 /nfs/dbraw/zinc/24/89/25/345248925.db2.gz DNTRRMGXQMUXIZ-UHFFFAOYSA-N 0 0 229.121 2.772 50 0 BFAARN Cc1cc(C(=O)NCC2CC2)c2ccccc2n1 ZINC000026203560 345291470 /nfs/dbraw/zinc/29/14/70/345291470.db2.gz NEOXFQDLIRFPEG-UHFFFAOYSA-N 0 0 240.306 2.683 50 0 BFAARN CCc1ccc(C(=O)Nc2nnc(C)s2)cc1 ZINC000000188383 345439231 /nfs/dbraw/zinc/43/92/31/345439231.db2.gz CPFSTWMGYQYOSS-UHFFFAOYSA-N 0 0 247.323 2.661 50 0 BFAARN CC(C)[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)C(=O)[O-] ZINC000170090855 187304602 /nfs/dbraw/zinc/30/46/02/187304602.db2.gz RVGLVGIPCAZXPC-RYUDHWBXSA-N 0 0 241.375 2.902 50 0 BFAARN C[C@H]1Cc2oc([Si](C)(C)C)cc2C(=O)C1 ZINC000169834505 345525680 /nfs/dbraw/zinc/52/56/80/345525680.db2.gz YXGRYCNLTBDNHX-MRVPVSSYSA-N 0 0 222.360 2.590 50 0 BFAARN CCCC[C@H](C)C(=O)Nc1ccnc(C)n1 ZINC000253395465 345646974 /nfs/dbraw/zinc/64/69/74/345646974.db2.gz LRFFGMDWAKRTFY-VIFPVBQESA-N 0 0 221.304 2.550 50 0 BFAARN CC[C@H]1CC[C@H](C)N1C(=O)NCc1ccco1 ZINC000095458657 345686226 /nfs/dbraw/zinc/68/62/26/345686226.db2.gz DAVSFYDXHIPHPF-QWRGUYRKSA-N 0 0 236.315 2.752 50 0 BFAARN CC(C)(C)c1noc([C@H]2CCCS2)n1 ZINC000095404048 345686229 /nfs/dbraw/zinc/68/62/29/345686229.db2.gz JLNLKFQMPSOMTI-SSDOTTSWSA-N 0 0 212.318 2.935 50 0 BFAARN C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CCCS2)C1 ZINC000095404754 345686384 /nfs/dbraw/zinc/68/63/84/345686384.db2.gz UJJYIJHLRJPAHB-MXWKQRLJSA-N 0 0 227.373 2.529 50 0 BFAARN CO[C@H](C)c1nc(-c2cn(C)nc2C)cs1 ZINC000095964097 345686730 /nfs/dbraw/zinc/68/67/30/345686730.db2.gz GPTHTLJFZVYHQF-MRVPVSSYSA-N 0 0 237.328 2.559 50 0 BFAARN O=c1c(C(F)(F)F)cccn1CC1CCC1 ZINC000095962045 345686767 /nfs/dbraw/zinc/68/67/67/345686767.db2.gz CFTIYAHEHDLHGY-UHFFFAOYSA-N 0 0 231.217 2.667 50 0 BFAARN N#Cc1ccc(Oc2ccc(C=O)cc2F)nc1 ZINC000165744409 345721470 /nfs/dbraw/zinc/72/14/70/345721470.db2.gz KTBVYDUJCXBRQQ-UHFFFAOYSA-N 0 0 242.209 2.697 50 0 BFAARN COc1cccc(Nc2nccc(Cl)n2)c1 ZINC000585145540 345824697 /nfs/dbraw/zinc/82/46/97/345824697.db2.gz PIXAAQULOAWTFQ-UHFFFAOYSA-N 0 0 235.674 2.882 50 0 BFAARN Cn1cccc1[C@H]1COCCN1[C@H]1C=CCCC1 ZINC000189579496 345828120 /nfs/dbraw/zinc/82/81/20/345828120.db2.gz CGVCALGOFTZFEH-DZGCQCFKSA-N 0 0 246.354 2.507 50 0 BFAARN Cc1ccc2c(c1)[C@@H]1CCCC(=O)[C@@H]1N2 ZINC000018206984 178952756 /nfs/dbraw/zinc/95/27/56/178952756.db2.gz KQAOLVJMYZHVBN-TVQRCGJNSA-N 0 0 201.269 2.626 50 0 biogenic BFAARN Cc1ccc2c(c1)Oc1ncccc1C(=O)N2 ZINC000005747498 178948387 /nfs/dbraw/zinc/94/83/87/178948387.db2.gz LIBUCSSGWQGTRG-UHFFFAOYSA-N 0 0 226.235 2.748 50 0 BFAARN Cc1ccccc1[S@](=O)Cc1ccccn1 ZINC000191182251 345991720 /nfs/dbraw/zinc/99/17/20/345991720.db2.gz MOPCBDMVHJPKFR-MRXNPFEDSA-N 0 0 231.320 2.698 50 0 BFAARN CC(C)(F)C(=O)Nc1ccc(O)c(Cl)c1 ZINC000195556812 187362546 /nfs/dbraw/zinc/36/25/46/187362546.db2.gz IYNSVUOTZOYOQQ-UHFFFAOYSA-N 0 0 231.654 2.732 50 0 BFAARN O=C(CC1CCCC1)Nc1nccs1 ZINC000003549666 187364477 /nfs/dbraw/zinc/36/44/77/187364477.db2.gz VVQKQIRCLCVCAT-UHFFFAOYSA-N 0 0 210.302 2.662 50 0 in-vitro BFAARN CCC(CC)(CC)SCC(=O)N(C)C ZINC000191932017 346075262 /nfs/dbraw/zinc/07/52/62/346075262.db2.gz OVOBOJBGLYDSQS-UHFFFAOYSA-N 0 0 217.378 2.777 50 0 BFAARN Cc1cc(NC(=O)Nc2ccc(C)cc2)n(C)n1 ZINC000048870068 346081659 /nfs/dbraw/zinc/08/16/59/346081659.db2.gz QMXULLMTRXEYFE-UHFFFAOYSA-N 0 0 244.298 2.681 50 0 BFAARN O=C(C1CC=CC1)N1CC[C@@H]2CCCC[C@H]21 ZINC000076985118 537938319 /nfs/dbraw/zinc/93/83/19/537938319.db2.gz QCBVNZPXMGZBJL-WCQYABFASA-N 0 0 219.328 2.744 50 0 BFAARN Cc1cccc(OCC(F)(F)F)c1N ZINC000034120668 346203162 /nfs/dbraw/zinc/20/31/62/346203162.db2.gz PTOJQUCAYOFMDM-UHFFFAOYSA-N 0 0 205.179 2.518 50 0 BFAARN Cc1nn(-c2cccc(C)c2)c(C)c1C=O ZINC000019507920 179001131 /nfs/dbraw/zinc/00/11/31/179001131.db2.gz GTZJSXHDYKPNCI-UHFFFAOYSA-N 0 0 214.268 2.610 50 0 BFAARN Cc1cccc(-n2cnc3ccccc3c2=O)c1 ZINC000000347682 179001362 /nfs/dbraw/zinc/00/13/62/179001362.db2.gz VCVAUJLDUKQBIP-UHFFFAOYSA-N 0 0 236.274 2.694 50 0 BFAARN CC(C)C(=O)NCCc1cccc(Cl)c1 ZINC000005384010 346204338 /nfs/dbraw/zinc/20/43/38/346204338.db2.gz SADPCOGQHJGZOW-UHFFFAOYSA-N 0 0 225.719 2.655 50 0 BFAARN Cc1ccc(CN(C)C(=O)c2cccc(C)n2)o1 ZINC000040493357 179005180 /nfs/dbraw/zinc/00/51/80/179005180.db2.gz GFERORISDXGPDX-UHFFFAOYSA-N 0 0 244.294 2.564 50 0 BFAARN Cc1cccc(C(=O)N(C)[C@H](C)C2CC2)c1 ZINC000032907048 179005582 /nfs/dbraw/zinc/00/55/82/179005582.db2.gz WXFPDCJDOKEJSD-LLVKDONJSA-N 0 0 217.312 2.866 50 0 BFAARN Cc1cccc(C(=O)N2CCC[C@H]3CCC[C@H]32)n1 ZINC000089688915 179009909 /nfs/dbraw/zinc/00/99/09/179009909.db2.gz TWQCUDIFGZLDPJ-TZMCWYRMSA-N 0 0 244.338 2.795 50 0 BFAARN Cc1cccc(C(=O)N2CCc3ccccc32)n1 ZINC000026069914 179012818 /nfs/dbraw/zinc/01/28/18/179012818.db2.gz PTBKCQPGKYEUNT-UHFFFAOYSA-N 0 0 238.290 2.593 50 0 BFAARN CCCC(=O)NC(=S)Nc1ccccc1C ZINC000005524521 346245898 /nfs/dbraw/zinc/24/58/98/346245898.db2.gz HMAFLBNSCLNJEF-UHFFFAOYSA-N 0 0 236.340 2.608 50 0 BFAARN Cc1cccc(C(=O)NCCCOC(C)C)c1C ZINC000040460022 179016334 /nfs/dbraw/zinc/01/63/34/179016334.db2.gz LJOBIDVNPUFRAN-UHFFFAOYSA-N 0 0 249.354 2.848 50 0 BFAARN COc1cc(C)c(NC(=O)[C@H]2C[C@@H]2C)cc1OC ZINC000005616887 346284381 /nfs/dbraw/zinc/28/43/81/346284381.db2.gz CAUMHHMSEMESFJ-WPRPVWTQSA-N 0 0 249.310 2.607 50 0 BFAARN Cc1cccc(C(=O)N[C@H](CCO)C(C)(C)C)c1 ZINC000097046216 179023373 /nfs/dbraw/zinc/02/33/73/179023373.db2.gz GFRWBWNPVYDIKP-CYBMUJFWSA-N 0 0 249.354 2.522 50 0 BFAARN Cc1cccc(C(=O)c2ccc(F)cc2F)n1 ZINC000045028501 179026710 /nfs/dbraw/zinc/02/67/10/179026710.db2.gz WFUUUNFZSYFLHV-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1cccc(C(=O)c2ncccc2C)c1 ZINC000045028656 179026837 /nfs/dbraw/zinc/02/68/37/179026837.db2.gz FXCFQISGFFZWGR-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN Cc1cccc(C(=O)c2cc(F)cc(F)c2)n1 ZINC000045028505 179026865 /nfs/dbraw/zinc/02/68/65/179026865.db2.gz WAXUVYVQJPYZNE-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1cccc(C(=O)c2cccc(C)n2)c1 ZINC000045028464 179027129 /nfs/dbraw/zinc/02/71/29/179027129.db2.gz QRIPFRMGPXNYAS-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN CCCC(=O)NC[C@H]1CCCN1c1ccccc1 ZINC000206784726 168552909 /nfs/dbraw/zinc/55/29/09/168552909.db2.gz LXLPQIHZVVNPIO-CQSZACIVSA-N 0 0 246.354 2.572 50 0 BFAARN Nc1n[nH]c2c1CSc1ccc(Cl)cc1-2 ZINC000000107668 346400828 /nfs/dbraw/zinc/40/08/28/346400828.db2.gz ASTVPUJJWPJYLZ-UHFFFAOYSA-N 0 0 237.715 2.918 50 0 BFAARN Fc1cc(NC(=S)NC2CC2)ccc1Cl ZINC000001077313 346432239 /nfs/dbraw/zinc/43/22/39/346432239.db2.gz MFTHNEBCXKTJMM-UHFFFAOYSA-N 0 0 244.722 2.928 50 0 BFAARN O=C1CCC[C@@H]1SC(=S)N1CCCCC1 ZINC000000401303 346418622 /nfs/dbraw/zinc/41/86/22/346418622.db2.gz WECNIUXOOQPAMG-JTQLQIEISA-N 0 0 243.397 2.612 50 0 BFAARN Cc1cccc(CNC(=O)NC2CCCC2)c1 ZINC000040068699 179086299 /nfs/dbraw/zinc/08/62/99/179086299.db2.gz SKRSIWAGKDHBFS-UHFFFAOYSA-N 0 0 232.327 2.737 50 0 BFAARN CNC(=O)OCc1ccc(-c2ccccc2)o1 ZINC000000478426 346484455 /nfs/dbraw/zinc/48/44/55/346484455.db2.gz DMHYPCFWGJYVOY-UHFFFAOYSA-N 0 0 231.251 2.803 50 0 BFAARN CCCCCC1=NNC(CCCCC)=NN1 ZINC000002304692 346508191 /nfs/dbraw/zinc/50/81/91/346508191.db2.gz AVFHNJGRAIZCSL-UHFFFAOYSA-N 0 0 224.352 2.967 50 0 BFAARN Cc1nn(C)c(C)c1NCc1cccc(C)c1 ZINC000020134614 179102306 /nfs/dbraw/zinc/10/23/06/179102306.db2.gz XTSBICCAOUPEGC-UHFFFAOYSA-N 0 0 229.327 2.957 50 0 BFAARN Cc1cccc(C[C@H](CO)c2ccccc2)n1 ZINC000000393461 179105890 /nfs/dbraw/zinc/10/58/90/179105890.db2.gz QVNGRAVUWMOPLO-CQSZACIVSA-N 0 0 227.307 2.709 50 0 BFAARN CC(=O)Nc1cc(C)nc2ccccc21 ZINC000003136077 346557604 /nfs/dbraw/zinc/55/76/04/346557604.db2.gz WOTSJKNNHBHBLP-UHFFFAOYSA-N 0 0 200.241 2.502 50 0 BFAARN Cc1cccc(NC(=O)CC2CCCC2)n1 ZINC000006508736 179126572 /nfs/dbraw/zinc/12/65/72/179126572.db2.gz HZRVFPXCUOKXBS-UHFFFAOYSA-N 0 0 218.300 2.909 50 0 BFAARN CC(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000005051282 346609548 /nfs/dbraw/zinc/60/95/48/346609548.db2.gz JXNQWKKPMBQUHS-UHFFFAOYSA-N 0 0 221.153 2.803 50 0 BFAARN CCCC(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000014553763 168562916 /nfs/dbraw/zinc/56/29/16/168562916.db2.gz KJDNNPKXOOHKGT-UHFFFAOYSA-N 0 0 248.326 2.563 50 0 BFAARN c1cnc(NCc2ccc3ncccc3c2)nc1 ZINC000187917198 346649629 /nfs/dbraw/zinc/64/96/29/346649629.db2.gz XQUAQIPMRPYBBE-UHFFFAOYSA-N 0 0 236.278 2.637 50 0 BFAARN Cc1cccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000012977874 179135671 /nfs/dbraw/zinc/13/56/71/179135671.db2.gz LRMKRWOUKFDMSM-WCQYABFASA-N 0 0 248.326 2.684 50 0 BFAARN Cc1cccc(NC(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000012977873 179135887 /nfs/dbraw/zinc/13/58/87/179135887.db2.gz LRMKRWOUKFDMSM-DGCLKSJQSA-N 0 0 248.326 2.684 50 0 BFAARN Cc1cc(NC(=O)Nc2cccc(C)c2)no1 ZINC000000137613 179137088 /nfs/dbraw/zinc/13/70/88/179137088.db2.gz WTCJAYUONBRKOC-UHFFFAOYSA-N 0 0 231.255 2.935 50 0 BFAARN Cc1cccc(NC(=O)CCc2cccnc2)c1 ZINC000007914688 179128133 /nfs/dbraw/zinc/12/81/33/179128133.db2.gz BWFCGAYNTXWUFC-UHFFFAOYSA-N 0 0 240.306 2.961 50 0 BFAARN Cc1cc(C)nc(NC(=O)C2CCCC2)c1 ZINC000008548810 346677676 /nfs/dbraw/zinc/67/76/76/346677676.db2.gz MDTQUQRPWYEEPH-UHFFFAOYSA-N 0 0 218.300 2.827 50 0 BFAARN Cc1cccc(N[C@@H](C)C[C@H](O)c2ccco2)n1 ZINC000097096513 179153227 /nfs/dbraw/zinc/15/32/27/179153227.db2.gz FUMYGTDTCJEEJB-RYUDHWBXSA-N 0 0 246.310 2.907 50 0 BFAARN Cc1cccc(OCC(=O)NC2CCCC2)c1C ZINC000000122170 179163852 /nfs/dbraw/zinc/16/38/52/179163852.db2.gz DNDDRGGFPSLXCD-UHFFFAOYSA-N 0 0 247.338 2.741 50 0 BFAARN Cc1cccc(OCCCC(=O)NC(C)C)c1 ZINC000001773828 179164478 /nfs/dbraw/zinc/16/44/78/179164478.db2.gz XTBPRXAGULSIKT-UHFFFAOYSA-N 0 0 235.327 2.679 50 0 BFAARN Cc1cccc(O[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000009190799 179172902 /nfs/dbraw/zinc/17/29/02/179172902.db2.gz FPIDDTSSYDVODT-LBPRGKRZSA-N 0 0 247.338 2.821 50 0 BFAARN Cc1cccc(O[C@H](C)C(=O)NC2CCCC2)c1 ZINC000009190800 179174516 /nfs/dbraw/zinc/17/45/16/179174516.db2.gz FPIDDTSSYDVODT-GFCCVEGCSA-N 0 0 247.338 2.821 50 0 BFAARN CCc1ccc(C(=O)N2CCCCC2)s1 ZINC000016580022 347194019 /nfs/dbraw/zinc/19/40/19/347194019.db2.gz DWRAJIGRHAPOEY-UHFFFAOYSA-N 0 0 223.341 2.937 50 0 BFAARN Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)[O-])c1C ZINC000237726657 179189859 /nfs/dbraw/zinc/18/98/59/179189859.db2.gz AMGPSJPGXNFLRA-ZDUSSCGKSA-N 0 0 233.311 2.525 50 0 BFAARN Cc1cc(-n2nc3ccccc3n2)cc(C)c1N ZINC000005739850 347223082 /nfs/dbraw/zinc/22/30/82/347223082.db2.gz DYRCNXWTTXJCNQ-UHFFFAOYSA-N 0 0 238.294 2.620 50 0 BFAARN Cc1coc2c1c(C)cc1o/c(=N/N)cc(C)c21 ZINC000013727175 362800904 /nfs/dbraw/zinc/80/09/04/362800904.db2.gz JVFKTUUVGQYKSV-LFIBNONCSA-N 0 0 242.278 2.879 50 0 BFAARN CC[C@@H](C)NC(=O)NC1CCC(C)CC1 ZINC000013746342 362801765 /nfs/dbraw/zinc/80/17/65/362801765.db2.gz XHWVEVGEDGSVDG-HSOILSAZSA-N 0 0 212.337 2.663 50 0 BFAARN Cc1occc1C(=O)Nc1ccc(Cl)cn1 ZINC000013746875 362802549 /nfs/dbraw/zinc/80/25/49/362802549.db2.gz NGDPZDKUPVIPRZ-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000013746405 362802908 /nfs/dbraw/zinc/80/29/08/362802908.db2.gz QXEBSCYDVKOQAI-NXEZZACHSA-N 0 0 238.306 2.984 50 0 BFAARN CC[C@H]1CCCCN1C(=S)NCC(C)C ZINC000013829392 362809750 /nfs/dbraw/zinc/80/97/50/362809750.db2.gz IDZWDPLIQPNTBM-NSHDSACASA-N 0 0 228.405 2.781 50 0 BFAARN CC(C)C[C@@H](C)NC(=O)c1cccs1 ZINC000019881377 347375320 /nfs/dbraw/zinc/37/53/20/347375320.db2.gz YAUJEFWVBJVRAG-SECBINFHSA-N 0 0 211.330 2.913 50 0 BFAARN Cc1ccccc1-c1ncc(-c2ncc[nH]2)cn1 ZINC000067674008 179240241 /nfs/dbraw/zinc/24/02/41/179240241.db2.gz YVGQVLYPLNOOTK-UHFFFAOYSA-N 0 0 236.278 2.842 50 0 BFAARN Cc1ccccc1-n1nnnc1SCC(C)C ZINC000003363071 179243658 /nfs/dbraw/zinc/24/36/58/179243658.db2.gz ULOXTMFUXGEQAO-UHFFFAOYSA-N 0 0 248.355 2.719 50 0 BFAARN Cc1ccc(F)cc1NC(=O)[C@@H](C)n1cccn1 ZINC000013017142 347478927 /nfs/dbraw/zinc/47/89/27/347478927.db2.gz KHEYQANPQVSFIN-SNVBAGLBSA-N 0 0 247.273 2.530 50 0 BFAARN CCn1nccc1C(=O)Nc1cc(C)ccc1F ZINC000002761015 347510945 /nfs/dbraw/zinc/51/09/45/347510945.db2.gz IDISJFVHRIXCJE-UHFFFAOYSA-N 0 0 247.273 2.603 50 0 BFAARN Cc1ccccc1C(=O)N[C@@H](CCO)C(C)(C)C ZINC000096495897 179251502 /nfs/dbraw/zinc/25/15/02/179251502.db2.gz JWQXLISFDZFCKX-ZDUSSCGKSA-N 0 0 249.354 2.522 50 0 BFAARN Cc1ccccc1C(=O)Nc1ncccc1C ZINC000000395864 179252285 /nfs/dbraw/zinc/25/22/85/179252285.db2.gz ALBQCKCKXPWSHB-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1ccccc1C(C)(C)CNC(=O)NC(C)C ZINC000072076511 179253397 /nfs/dbraw/zinc/25/33/97/179253397.db2.gz GGCOVWRCUKHHPG-UHFFFAOYSA-N 0 0 248.370 2.980 50 0 BFAARN Cc1ccccc1C(=O)Oc1cccc(O)c1 ZINC000004181887 179253799 /nfs/dbraw/zinc/25/37/99/179253799.db2.gz ZFDNVMBKXNZZEQ-UHFFFAOYSA-N 0 0 228.247 2.920 50 0 BFAARN Cc1cc(NC[C@H](C)c2ccccc2)n(C)n1 ZINC000194368988 347536714 /nfs/dbraw/zinc/53/67/14/347536714.db2.gz FTJAIOTVDIUVRO-NSHDSACASA-N 0 0 229.327 2.944 50 0 BFAARN Cc1ccccc1CC(=O)Nc1ncccc1C ZINC000012526666 179260050 /nfs/dbraw/zinc/26/00/50/179260050.db2.gz JSCBFRZQECOQIF-UHFFFAOYSA-N 0 0 240.306 2.880 50 0 BFAARN Cc1ccc2c(c1)CCN(C(=O)[C@H]1C[C@H]1C)C2 ZINC000195579996 347641815 /nfs/dbraw/zinc/64/18/15/347641815.db2.gz ORPIDZYVJJRZGX-RISCZKNCSA-N 0 0 229.323 2.536 50 0 BFAARN Clc1nc2sccn2c1Br ZINC000004091880 347645437 /nfs/dbraw/zinc/64/54/37/347645437.db2.gz AUGACCMVTDEVQA-UHFFFAOYSA-N 0 0 237.509 2.812 50 0 BFAARN Cc1noc([C@H](C)SCC[C@@H]2CCCO2)n1 ZINC000195576802 347648377 /nfs/dbraw/zinc/64/83/77/347648377.db2.gz BXORNHOOZUNCTR-WPRPVWTQSA-N 0 0 242.344 2.741 50 0 BFAARN CC(C)n1cc(C(=O)OCC2CC=CC2)cn1 ZINC000195577039 347648474 /nfs/dbraw/zinc/64/84/74/347648474.db2.gz QEPPRSGMYKPRIU-UHFFFAOYSA-N 0 0 234.299 2.587 50 0 BFAARN Cc1ccccc1Cn1nnc2ccccc21 ZINC000004487638 179294222 /nfs/dbraw/zinc/29/42/22/179294222.db2.gz SKFGISZABVWDCB-UHFFFAOYSA-N 0 0 223.279 2.788 50 0 BFAARN Cc1ccccc1N(C(=O)[C@H]1CCOC1)C(C)C ZINC000071858637 179294416 /nfs/dbraw/zinc/29/44/16/179294416.db2.gz PLLXJLHVKYDLKO-ZDUSSCGKSA-N 0 0 247.338 2.773 50 0 BFAARN Cc1ccccc1NC(=O)c1ccc(O)cc1 ZINC000000131985 179303611 /nfs/dbraw/zinc/30/36/11/179303611.db2.gz LNWPULCBCPNIJU-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN Cc1ccccc1NCCC(=O)NC(C)(C)C ZINC000058401494 179304232 /nfs/dbraw/zinc/30/42/32/179304232.db2.gz SMDFRAJAQNCVTE-UHFFFAOYSA-N 0 0 234.343 2.712 50 0 BFAARN Cc1ccccc1NCCC(=O)NCC(C)C ZINC000058264938 179304246 /nfs/dbraw/zinc/30/42/46/179304246.db2.gz DNNBNSRAVGNAIE-UHFFFAOYSA-N 0 0 234.343 2.569 50 0 BFAARN Cc1ccccc1[C@@H]1CCC[N@@H+]1CCCC(=O)[O-] ZINC000116360021 179328392 /nfs/dbraw/zinc/32/83/92/179328392.db2.gz RWANTCOMYFULSG-AWEZNQCLSA-N 0 0 247.338 2.997 50 0 BFAARN Cc1ccccc1[C@H](C)NC(=O)c1ccncc1 ZINC000017963450 179336988 /nfs/dbraw/zinc/33/69/88/179336988.db2.gz MKDBYSJXHUYIBN-LBPRGKRZSA-N 0 0 240.306 2.881 50 0 BFAARN Cc1ccccc1[C@H](C)Nc1ncccn1 ZINC000012973161 179341067 /nfs/dbraw/zinc/34/10/67/179341067.db2.gz FNEDIZFUAULTCJ-NSHDSACASA-N 0 0 213.284 2.958 50 0 BFAARN Cc1ccccc1[S@@](=O)CCCOC(C)C ZINC000195579586 179351809 /nfs/dbraw/zinc/35/18/09/179351809.db2.gz KHXIXLXWYMYXAC-INIZCTEOSA-N 0 0 240.368 2.918 50 0 BFAARN Cc1cccn(Cc2ccccc2Cl)c1=O ZINC000069814405 179352562 /nfs/dbraw/zinc/35/25/62/179352562.db2.gz YJYUMTOLYYEDCL-UHFFFAOYSA-N 0 0 233.698 2.858 50 0 BFAARN Cc1cccnc1C(=O)c1cccc(F)c1 ZINC000045028662 179366709 /nfs/dbraw/zinc/36/67/09/179366709.db2.gz WJZKSHHTHAOEBV-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN Cc1ccnc(-n2ccnc2-c2cccnc2)c1 ZINC000065409702 229604184 /nfs/dbraw/zinc/60/41/84/229604184.db2.gz SXJORDMCJZIXPW-UHFFFAOYSA-N 0 0 236.278 2.638 50 0 BFAARN Cc1cccnc1NC(=O)Cc1cccc(F)c1 ZINC000057529735 179390235 /nfs/dbraw/zinc/39/02/35/179390235.db2.gz PQGPIFVQGAMHGM-UHFFFAOYSA-N 0 0 244.269 2.710 50 0 BFAARN Cc1cccnc1NC(=O)NCc1ccccc1 ZINC000012463165 179392562 /nfs/dbraw/zinc/39/25/62/179392562.db2.gz KSSPLAUEXLAOQQ-UHFFFAOYSA-N 0 0 241.294 2.712 50 0 BFAARN Cc1cccnc1NC(=O)c1ccc(F)cc1 ZINC000000853317 179393856 /nfs/dbraw/zinc/39/38/56/179393856.db2.gz HZZOIQUGYQWAPX-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN COc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000014633130 362909112 /nfs/dbraw/zinc/90/91/12/362909112.db2.gz NBSKZRMBROWDNS-LLVKDONJSA-N 0 0 231.295 2.990 50 0 BFAARN Cc1ccn2c(F)c(C(F)(F)F)nc2c1 ZINC000015109474 179411171 /nfs/dbraw/zinc/41/11/71/179411171.db2.gz LFYJDJJZAVEHGC-UHFFFAOYSA-N 0 0 218.153 2.801 50 0 BFAARN Cc1ccc(Nc2csc(=O)[nH]2)cc1 ZINC000016754430 362924050 /nfs/dbraw/zinc/92/40/50/362924050.db2.gz ZIQDYXWSHIAQEP-UHFFFAOYSA-N 0 0 206.270 2.672 50 0 BFAARN Cc1ccnc(NC(=O)OCC(F)(F)F)c1 ZINC000032628882 179438161 /nfs/dbraw/zinc/43/81/61/179438161.db2.gz ZMVGRNODDNMSGR-UHFFFAOYSA-N 0 0 234.177 2.501 50 0 BFAARN Cc1cnc(NC(=O)c2ccccc2)s1 ZINC000003555837 179630856 /nfs/dbraw/zinc/63/08/56/179630856.db2.gz HEGBNFORMCPFKO-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 in-vivo BFAARN CN(CC1CCCCC1)C(=O)c1cccn1C ZINC000040497074 348795324 /nfs/dbraw/zinc/79/53/24/348795324.db2.gz WURLDSWLVIKXEO-UHFFFAOYSA-N 0 0 234.343 2.677 50 0 BFAARN O=C(OCCC[C@H]1CCCO1)c1cccs1 ZINC000184405068 349129293 /nfs/dbraw/zinc/12/92/93/349129293.db2.gz WNKRGNCBPMSECG-SNVBAGLBSA-N 0 0 240.324 2.864 50 0 BFAARN Cc1n[nH]c(C)c1CNc1nc2ccccc2o1 ZINC000097160198 179826030 /nfs/dbraw/zinc/82/60/30/179826030.db2.gz GRXLOFJFPZEDEW-UHFFFAOYSA-N 0 0 242.282 2.780 50 0 BFAARN Cc1nc(C(=O)Nc2ccc(F)cc2)c(C)o1 ZINC000065293407 179891091 /nfs/dbraw/zinc/89/10/91/179891091.db2.gz PJHFUHZKYBGFNP-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN Cc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000003428985 179864636 /nfs/dbraw/zinc/86/46/36/179864636.db2.gz SRJDCZPWIQZNQO-UHFFFAOYSA-N 0 0 219.265 2.847 50 0 BFAARN Cc1nc(-c2cccs2)ccc1C(=O)N(C)C ZINC000130902894 179868893 /nfs/dbraw/zinc/86/88/93/179868893.db2.gz ONXHGSIDOQICMI-UHFFFAOYSA-N 0 0 246.335 2.820 50 0 BFAARN Cc1c2c[nH]nc2ccc1Br ZINC000036533266 190987026 /nfs/dbraw/zinc/98/70/26/190987026.db2.gz QLQQQEUHPBMUCF-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1nc(CNc2cncc(F)c2)cs1 ZINC000300900716 179976256 /nfs/dbraw/zinc/97/62/56/179976256.db2.gz NOMYDQYYGHXXCI-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN Nc1ncc(Cc2c(F)cccc2F)s1 ZINC000022151153 350082437 /nfs/dbraw/zinc/08/24/37/350082437.db2.gz CFOZMBZHTFNWQA-UHFFFAOYSA-N 0 0 226.251 2.594 50 0 BFAARN Cc1nc(NC(=O)C(F)(F)F)ccc1Cl ZINC000010119493 180005566 /nfs/dbraw/zinc/00/55/66/180005566.db2.gz OFNDLTRTCJDLNW-UHFFFAOYSA-N 0 0 238.596 2.544 50 0 BFAARN Cc1nc(NCC2CCOCC2)cc(C(C)C)n1 ZINC000065434031 180017532 /nfs/dbraw/zinc/01/75/32/180017532.db2.gz WEZRIKDZVHBHED-UHFFFAOYSA-N 0 0 249.358 2.747 50 0 BFAARN Cc1nc(S[C@H]2CCCCC2=O)oc1C ZINC000073788426 180033226 /nfs/dbraw/zinc/03/32/26/180033226.db2.gz WOZXYUSUFSCWAT-JTQLQIEISA-N 0 0 225.313 2.895 50 0 BFAARN CNC(=O)CCOc1ccc(Cl)cc1Cl ZINC000056490960 350119081 /nfs/dbraw/zinc/11/90/81/350119081.db2.gz MZNKNBYZWQEEQE-UHFFFAOYSA-N 0 0 248.109 2.508 50 0 BFAARN Cc1nc2cc(Br)ccc2o1 ZINC000015042932 180076585 /nfs/dbraw/zinc/07/65/85/180076585.db2.gz ZBCCSPFGJDVVJB-UHFFFAOYSA-N 0 0 212.046 2.899 50 0 BFAARN Cc1nc2cc(N)ccc2n1-c1ccccc1 ZINC000012341758 180081598 /nfs/dbraw/zinc/08/15/98/180081598.db2.gz LUUFJWDADHYUJL-UHFFFAOYSA-N 0 0 223.279 2.916 50 0 BFAARN Cc1nc2cc(NC(=O)c3ccoc3)ccc2o1 ZINC000016261475 180081789 /nfs/dbraw/zinc/08/17/89/180081789.db2.gz ODLMHHCUDGAFPD-UHFFFAOYSA-N 0 0 242.234 2.982 50 0 BFAARN Cc1nc2cc(NC(=O)CC(C)C)ccc2[nH]1 ZINC000074819671 180082680 /nfs/dbraw/zinc/08/26/80/180082680.db2.gz PEXFRSXMECUZLK-UHFFFAOYSA-N 0 0 231.299 2.856 50 0 BFAARN Cc1nc2c(c(C)c1Br)CCCN2 ZINC000036652416 180068631 /nfs/dbraw/zinc/06/86/31/180068631.db2.gz AJJRQDRKERDWHB-UHFFFAOYSA-N 0 0 241.132 2.819 50 0 BFAARN Cc1nc2cccc(C(=O)NCC(C)C)c2o1 ZINC000000108496 180099404 /nfs/dbraw/zinc/09/94/04/180099404.db2.gz ROSJFIWACPORSD-UHFFFAOYSA-N 0 0 232.283 2.522 50 0 BFAARN Cc1nc2ccc3nc(N)sc3c2s1 ZINC000000243250 180099636 /nfs/dbraw/zinc/09/96/36/180099636.db2.gz LINJMDWVMVEFLA-UHFFFAOYSA-N 0 0 221.310 2.797 50 0 BFAARN Cc1nc2ccccc2nc1Br ZINC000052099542 180102569 /nfs/dbraw/zinc/10/25/69/180102569.db2.gz YBJFSDXUCGYJSK-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN Cc1nc(=O)c2c3c(sc2[nH]1)CCCCC3 ZINC000013597904 180117891 /nfs/dbraw/zinc/11/78/91/180117891.db2.gz JDHCOFMQBOZSMO-UHFFFAOYSA-N 0 0 234.324 2.562 50 0 BFAARN CC1(C)CCN1C(=O)c1cccc2[nH]ccc21 ZINC000098016244 191061856 /nfs/dbraw/zinc/06/18/56/191061856.db2.gz AJYNCQMYRAASQZ-UHFFFAOYSA-N 0 0 228.295 2.792 50 0 BFAARN Cc1ncc(C(=O)NC2CCCCCCC2)cn1 ZINC000097655354 180128224 /nfs/dbraw/zinc/12/82/24/180128224.db2.gz CCFOPBQFLJATNA-UHFFFAOYSA-N 0 0 247.342 2.628 50 0 BFAARN O=C([C@@H]1CC=CCC1)N1CCc2ccccc2C1 ZINC000032975409 350216948 /nfs/dbraw/zinc/21/69/48/350216948.db2.gz AFWBIISHCOMMGK-CQSZACIVSA-N 0 0 241.334 2.928 50 0 BFAARN Cc1ccsc1CNc1ccnc(C)n1 ZINC000085485873 180202439 /nfs/dbraw/zinc/20/24/39/180202439.db2.gz IIBBKPCGXJBMIN-UHFFFAOYSA-N 0 0 219.313 2.767 50 0 BFAARN CCCCC(=O)NCc1ccc(C)cc1 ZINC000002083626 168621184 /nfs/dbraw/zinc/62/11/84/168621184.db2.gz BKANJGNJURCJCP-UHFFFAOYSA-N 0 0 205.301 2.801 50 0 BFAARN C[C@H](Cc1cccs1)NC(=O)c1ccoc1 ZINC000033205464 350224847 /nfs/dbraw/zinc/22/48/47/350224847.db2.gz MHMCVDBZPXFYLL-SECBINFHSA-N 0 0 235.308 2.702 50 0 BFAARN Nc1n[nH]cc1-c1ccc(Cl)cc1Cl ZINC000038976271 350327605 /nfs/dbraw/zinc/32/76/05/350327605.db2.gz CZIQMRKVTJZNBJ-UHFFFAOYSA-N 0 0 228.082 2.966 50 0 BFAARN CO[C@@H](C)c1cccc(-c2cc(=O)[nH]cn2)c1 ZINC000426519048 191093842 /nfs/dbraw/zinc/09/38/42/191093842.db2.gz YZPOQBJTJYQHNC-VIFPVBQESA-N 0 0 230.267 2.557 50 0 BFAARN CON(C)C(=O)c1oc2c(cccc2F)c1C ZINC000040461286 350364634 /nfs/dbraw/zinc/36/46/34/350364634.db2.gz HXDHZWRWCPNVIS-UHFFFAOYSA-N 0 0 237.230 2.514 50 0 BFAARN Nc1noc2cccc(OCC3CCCC3)c12 ZINC000040449390 350364965 /nfs/dbraw/zinc/36/49/65/350364965.db2.gz NWUDDXCXWIFTBU-UHFFFAOYSA-N 0 0 232.283 2.979 50 0 BFAARN CCCCC(=O)Nc1cccc2nsnc21 ZINC000002476558 168627608 /nfs/dbraw/zinc/62/76/08/168627608.db2.gz DJTAJRVDGAEZKD-UHFFFAOYSA-N 0 0 235.312 2.820 50 0 biogenic BFAARN Cc1nn(C(=O)OC(C)(C)C)c2ncccc12 ZINC000089224488 180331665 /nfs/dbraw/zinc/33/16/65/180331665.db2.gz QPVJSNUQUNRAJI-UHFFFAOYSA-N 0 0 233.271 2.523 50 0 BFAARN Cc1nn(C(C)(C)C)cc1Br ZINC000038537820 180331849 /nfs/dbraw/zinc/33/18/49/180331849.db2.gz SVLSAPNQDGCJAL-UHFFFAOYSA-N 0 0 217.110 2.709 50 0 BFAARN Cc1nn(C(=O)COc2ccccc2)c(C)c1C ZINC000010155518 180332223 /nfs/dbraw/zinc/33/22/23/180332223.db2.gz JPSXWLQQLVOTDF-UHFFFAOYSA-N 0 0 244.294 2.528 50 0 BFAARN COc1ncnc(C)c1-c1ccc(N(C)C)cc1 ZINC000426604693 191101441 /nfs/dbraw/zinc/10/14/41/191101441.db2.gz ZEDVJQPCJSDKEC-UHFFFAOYSA-N 0 0 243.310 2.527 50 0 BFAARN CCCC(=O)N1c2ccccc2C[C@H]1C ZINC000032975273 350442761 /nfs/dbraw/zinc/44/27/61/350442761.db2.gz AVJJSASRFBUZRJ-SNVBAGLBSA-N 0 0 203.285 2.764 50 0 BFAARN Cc1nn(CC(C)C)c(C)c1Br ZINC000032916914 180385721 /nfs/dbraw/zinc/38/57/21/180385721.db2.gz QTUJNLSDZPMEJO-UHFFFAOYSA-N 0 0 231.137 2.918 50 0 BFAARN Cc1nnc(-c2ccccc2-c2cncnc2)o1 ZINC000096151041 180395957 /nfs/dbraw/zinc/39/59/57/180395957.db2.gz BBCARKVVDCMNBC-UHFFFAOYSA-N 0 0 238.250 2.502 50 0 BFAARN CC(=O)c1c(C)[nH]c(C(=O)NC2CCCC2)c1C ZINC000000224270 191107971 /nfs/dbraw/zinc/10/79/71/191107971.db2.gz QJRIZYNMLQUVOB-UHFFFAOYSA-N 0 0 248.326 2.507 50 0 BFAARN Cc1noc(/C=C/c2ccsc2)c1N ZINC000072324057 180460767 /nfs/dbraw/zinc/46/07/67/180460767.db2.gz WOBHKKKPNIPIBE-NSCUHMNNSA-N 0 0 206.270 2.797 50 0 BFAARN Cc1noc(C)c1COc1cccc(C=O)c1 ZINC000006658328 180474873 /nfs/dbraw/zinc/47/48/73/180474873.db2.gz SMHSPYJAXOUORW-UHFFFAOYSA-N 0 0 231.251 2.683 50 0 BFAARN Cc1noc(CSc2nc3ccccc3[nH]2)n1 ZINC000022610995 180491158 /nfs/dbraw/zinc/49/11/58/180491158.db2.gz RSCSXQDHAVQUKH-UHFFFAOYSA-N 0 0 246.295 2.547 50 0 BFAARN CCC1=C(C)C(=O)N/C1=C/c1ccccc1 ZINC000004828075 191120312 /nfs/dbraw/zinc/12/03/12/191120312.db2.gz NZOCPNIQLIFXQQ-UKTHLTGXSA-N 0 0 213.280 2.884 50 0 BFAARN Cc1noc(NCc2ccc(Cl)cc2)n1 ZINC000057353881 180494272 /nfs/dbraw/zinc/49/42/72/180494272.db2.gz DKSNRNQJCPNYJX-UHFFFAOYSA-N 0 0 223.663 2.644 50 0 BFAARN Cc1oc(-c2ccc(F)cc2)cc1CO ZINC000077073040 180526837 /nfs/dbraw/zinc/52/68/37/180526837.db2.gz UHKCPOCJMVBZGY-UHFFFAOYSA-N 0 0 206.216 2.886 50 0 BFAARN Cc1occc1C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000089540595 180536773 /nfs/dbraw/zinc/53/67/73/180536773.db2.gz IHDIPNADDDHPJB-DGCLKSJQSA-N 0 0 233.311 2.993 50 0 BFAARN Cc1occc1C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000089540590 180537321 /nfs/dbraw/zinc/53/73/21/180537321.db2.gz MLXYPZDMXDEZDR-RYUDHWBXSA-N 0 0 233.311 2.850 50 0 BFAARN Cc1occc1C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000089540586 180537719 /nfs/dbraw/zinc/53/77/19/180537719.db2.gz MLXYPZDMXDEZDR-VXGBXAGGSA-N 0 0 233.311 2.850 50 0 BFAARN COc1cc(N)ccc1-c1ccc(N)cc1OC ZINC000000993488 350972714 /nfs/dbraw/zinc/97/27/14/350972714.db2.gz YJOAIOIVLVUPST-UHFFFAOYSA-N 0 0 244.294 2.535 50 0 BFAARN Cc1occc1C(=O)Nc1ccccc1 ZINC000002169427 180539519 /nfs/dbraw/zinc/53/95/19/180539519.db2.gz JFSPBVWPKOEZCB-UHFFFAOYSA-N 0 0 201.225 2.840 50 0 in-vitro BFAARN Cc1ocnc1C(=O)O[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000153188096 362989278 /nfs/dbraw/zinc/98/92/78/362989278.db2.gz BAIDLEJPJNDPQY-IQJOONFLSA-N 0 0 237.299 2.965 50 0 BFAARN Cc1ccc(CN(C)C(=O)[C@@H]2CC=CCC2)o1 ZINC000052987882 351164868 /nfs/dbraw/zinc/16/48/68/351164868.db2.gz TVKBLPDGPVWYAR-GFCCVEGCSA-N 0 0 233.311 2.903 50 0 BFAARN C/C=C\C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000006015884 351375721 /nfs/dbraw/zinc/37/57/21/351375721.db2.gz DUWBOVPNWDDRBW-IHWYPQMZSA-N 0 0 238.670 2.642 50 0 BFAARN Clc1cnc2[nH]c(-c3ccncc3)nc2c1 ZINC000057765313 180599420 /nfs/dbraw/zinc/59/94/20/180599420.db2.gz KSDYOZQKILJXQB-UHFFFAOYSA-N 0 0 230.658 2.673 50 0 BFAARN COC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000000139454 363048224 /nfs/dbraw/zinc/04/82/24/363048224.db2.gz UPNBECMDFZBTBD-UHFFFAOYSA-N 0 0 240.473 2.828 50 0 BFAARN Cn1c2ccccc2nc(-c2ccccc2)c1=O ZINC000000383239 180610253 /nfs/dbraw/zinc/61/02/53/180610253.db2.gz XWBFKTDOMCTTDQ-UHFFFAOYSA-N 0 0 236.274 2.601 50 0 BFAARN Cn1c2ccccc2c(=O)c2c1OC(C)(C)CC2 ZINC000000345714 180626728 /nfs/dbraw/zinc/62/67/28/180626728.db2.gz ZMHAAVLGKGXDBY-UHFFFAOYSA-N 0 0 243.306 2.642 50 0 biogenic BFAARN COC(=O)c1cccc2cnc(Cl)cc21 ZINC000218399421 351829754 /nfs/dbraw/zinc/82/97/54/351829754.db2.gz HQMJCGZZCAZVDO-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN CCCCN(C)C(=O)c1cn2ccc(C)cc2n1 ZINC000027117799 363098305 /nfs/dbraw/zinc/09/83/05/363098305.db2.gz BXUPQWCXSWRKCG-UHFFFAOYSA-N 0 0 245.326 2.515 50 0 BFAARN Cn1cc2c(n1)nc(Cl)cc2C(F)(F)F ZINC000012398049 180675128 /nfs/dbraw/zinc/67/51/28/180675128.db2.gz XQLQKEWMWAZHFO-UHFFFAOYSA-N 0 0 235.596 2.641 50 0 BFAARN Cn1cc([C@H](O)C(F)(F)F)c2ccccc21 ZINC000001399169 180672273 /nfs/dbraw/zinc/67/22/73/180672273.db2.gz ARPIRHUPDYIDHC-JTQLQIEISA-N 0 0 229.201 2.774 50 0 BFAARN CC(C)C[C@H](C)NC(=O)COc1ccccc1 ZINC000002065855 187584562 /nfs/dbraw/zinc/58/45/62/187584562.db2.gz ZHMVUQYGYFVSON-LBPRGKRZSA-N 0 0 235.327 2.616 50 0 BFAARN CCCCCNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000012544648 352073559 /nfs/dbraw/zinc/07/35/59/352073559.db2.gz KZISZKAYUYMHFG-UHFFFAOYSA-N 0 0 247.298 2.590 50 0 BFAARN CC(C)=CC(=O)N1CCC[C@H]1c1ccncc1 ZINC000040493628 187601873 /nfs/dbraw/zinc/60/18/73/187601873.db2.gz FUGNZBOIRGEIFX-ZDUSSCGKSA-N 0 0 230.311 2.711 50 0 BFAARN Cc1nn(C(C)C)cc1Br ZINC000042384398 187603907 /nfs/dbraw/zinc/60/39/07/187603907.db2.gz NEZRKPLGDMBWDL-UHFFFAOYSA-N 0 0 203.083 2.535 50 0 BFAARN Cc1nccc(C(=O)OC[C@@H]2CC=CC[C@H]2C)n1 ZINC000079790606 187620071 /nfs/dbraw/zinc/62/00/71/187620071.db2.gz BURHNMUPWULKKC-PWSUYJOCSA-N 0 0 246.310 2.544 50 0 BFAARN Cc1cc(C(=O)NCc2ccsc2)c(C)o1 ZINC000038586139 363179914 /nfs/dbraw/zinc/17/99/14/363179914.db2.gz WZQSZZHIQVEGRB-UHFFFAOYSA-N 0 0 235.308 2.888 50 0 BFAARN Cc1ccc(-c2cccc(O)c2F)cn1 ZINC000725270980 538103067 /nfs/dbraw/zinc/10/30/67/538103067.db2.gz WPDIVPDKOGIVHG-UHFFFAOYSA-N 0 0 203.216 2.902 50 0 BFAARN Cn1cccc1C(=O)c1oc2ccccc2c1N ZINC000032831290 180724260 /nfs/dbraw/zinc/72/42/60/180724260.db2.gz QUMOFKBYFDYFHM-UHFFFAOYSA-N 0 0 240.262 2.585 50 0 BFAARN O=Cc1ccc(-c2noc(C3CCC3)n2)cc1F ZINC000725273459 538105140 /nfs/dbraw/zinc/10/51/40/538105140.db2.gz DUFXRABUCKMWSS-UHFFFAOYSA-N 0 0 246.241 2.956 50 0 BFAARN Cn1[nH]c(C(C)(C)C)c2nc(C(C)(C)C)nc1-2 ZINC000065407172 180802569 /nfs/dbraw/zinc/80/25/69/180802569.db2.gz MMEXNCCWGKTUTR-UHFFFAOYSA-N 0 0 234.347 2.891 50 0 BFAARN C[C@@H]1C[C@@H](NC(=S)N(C)C)CC(C)(C)C1 ZINC000004376812 187929162 /nfs/dbraw/zinc/92/91/62/187929162.db2.gz SKCBGLHGCCBEEY-NXEZZACHSA-N 0 0 228.405 2.637 50 0 BFAARN Cc1cccc(C(=O)Nc2ccc(F)cc2)n1 ZINC000000298527 187924391 /nfs/dbraw/zinc/92/43/91/187924391.db2.gz WQIJASDCQSSSLB-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN C/C=C/C(=O)Nc1ccc(OCC)cc1 ZINC000000294017 187924821 /nfs/dbraw/zinc/92/48/21/187924821.db2.gz DVUAQAXXJAYRFY-HWKANZROSA-N 0 0 205.257 2.600 50 0 BFAARN C/C=C/C(=O)Nc1ccccc1Br ZINC000000292263 187924824 /nfs/dbraw/zinc/92/48/24/187924824.db2.gz HPUOLTWVVYKUBT-GORDUTHDSA-N 0 0 240.100 2.964 50 0 BFAARN CSCc1nnc(-c2ccccc2F)o1 ZINC000078962717 538106194 /nfs/dbraw/zinc/10/61/94/538106194.db2.gz CCFAKVFCTBEGJH-UHFFFAOYSA-N 0 0 224.260 2.739 50 0 BFAARN COC(=O)CCSc1cc(Cl)ccc1N ZINC000086479697 323941082 /nfs/dbraw/zinc/94/10/82/323941082.db2.gz TXXGKWBPHLIALM-UHFFFAOYSA-N 0 0 245.731 2.577 50 0 BFAARN Cc1ccc(CNC(=O)Nc2cccnc2)s1 ZINC000040553514 187944397 /nfs/dbraw/zinc/94/43/97/187944397.db2.gz VIMZVSDPZSLTFR-UHFFFAOYSA-N 0 0 247.323 2.773 50 0 BFAARN CC(C)CO[C@@H](C)C(=O)Nc1ccccc1F ZINC000042466212 187947811 /nfs/dbraw/zinc/94/78/11/187947811.db2.gz VFYCHXSZPFAXTD-JTQLQIEISA-N 0 0 239.290 2.825 50 0 BFAARN Cn1ncc2nc3ccccc3c(Cl)c21 ZINC000000347153 180828509 /nfs/dbraw/zinc/82/85/09/180828509.db2.gz XQNZPPPTJAXLLT-UHFFFAOYSA-N 0 0 217.659 2.775 50 0 BFAARN COc1ccc(Br)c(F)c1F ZINC000016159486 187933987 /nfs/dbraw/zinc/93/39/87/187933987.db2.gz VZMFIPVRFWZDPI-UHFFFAOYSA-N 0 0 223.016 2.736 50 0 BFAARN C/C=C/C[S@](=O)CCc1ccc(OC)cc1 ZINC000190782412 188003188 /nfs/dbraw/zinc/00/31/88/188003188.db2.gz GSJUXIOGVLZTMR-CWDCEQMOSA-N 0 0 238.352 2.563 50 0 BFAARN CCCCCC12CCC(O)(CC1)C[C@H]2O ZINC000002471453 187989203 /nfs/dbraw/zinc/98/92/03/187989203.db2.gz QJKRSZFOYIWSSH-PNESKVBLSA-N 0 0 212.333 2.623 50 0 BFAARN Cc1cccc([S@@](=O)CCCOC(C)C)c1 ZINC000195579598 188006167 /nfs/dbraw/zinc/00/61/67/188006167.db2.gz VPRWWBDWEJZASS-INIZCTEOSA-N 0 0 240.368 2.918 50 0 BFAARN Brc1ncn(C2CCCCC2)n1 ZINC000216630293 188008630 /nfs/dbraw/zinc/00/86/30/188008630.db2.gz YJQMGWQFGMVEIP-UHFFFAOYSA-N 0 0 230.109 2.546 50 0 BFAARN C[C@H](Cc1cccs1)NC(=O)c1ccncc1 ZINC000033203527 188011170 /nfs/dbraw/zinc/01/11/70/188011170.db2.gz DXEQERPPKMKBNE-SNVBAGLBSA-N 0 0 246.335 2.504 50 0 BFAARN CC(=O)OSC(C)(C)[C@@H]1CC[C@H](C)CC1=O ZINC000238791370 188019014 /nfs/dbraw/zinc/01/90/14/188019014.db2.gz HGSQLXVPGSWSBL-WCBMZHEXSA-N 0 0 244.356 2.982 50 0 BFAARN O=C(NCc1ccc(Cl)cc1)C1CCC1 ZINC000032975440 188051097 /nfs/dbraw/zinc/05/10/97/188051097.db2.gz DHTXUANSKJTFGJ-UHFFFAOYSA-N 0 0 223.703 2.756 50 0 BFAARN C[C@H]1CN(C(=O)C2=CCCC2)CCC1(F)F ZINC000335862114 133943241 /nfs/dbraw/zinc/94/32/41/133943241.db2.gz JWHUXRYHUHPNNQ-VIFPVBQESA-N 0 0 229.270 2.600 50 0 BFAARN CCCCCNC(=O)c1ccc[nH]c1=S ZINC000006756508 168713340 /nfs/dbraw/zinc/71/33/40/168713340.db2.gz MDEAINCIALUBQO-UHFFFAOYSA-N 0 0 224.329 2.664 50 0 BFAARN O=C(O[C@H]1CCc2cccnc21)c1ccco1 ZINC000189372907 353291101 /nfs/dbraw/zinc/29/11/01/353291101.db2.gz GGKPBULEFKCFRQ-JTQLQIEISA-N 0 0 229.235 2.519 50 0 BFAARN Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccccc1F ZINC000037996421 188254948 /nfs/dbraw/zinc/25/49/48/188254948.db2.gz JNGGMVVJEPKDPB-JTQLQIEISA-N 0 0 233.290 2.708 50 0 BFAARN CC(C)=Cc1nc2cccc(F)c2c(=O)o1 ZINC000000166415 188272374 /nfs/dbraw/zinc/27/23/74/188272374.db2.gz QWVLVMSQTRLECX-UHFFFAOYSA-N 0 0 219.215 2.750 50 0 BFAARN CC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000000056508 188272453 /nfs/dbraw/zinc/27/24/53/188272453.db2.gz JPHQCDCEBDRIOL-UHFFFAOYSA-N 0 0 202.175 2.837 50 0 in-vitro BFAARN NC(=S)c1ccc(C(F)(F)F)cc1Cl ZINC000000107459 188272509 /nfs/dbraw/zinc/27/25/09/188272509.db2.gz KYQALMDZBAQEFM-UHFFFAOYSA-N 0 0 239.649 2.993 50 0 BFAARN CC1(C)OC(c2cccc(N)c2)OC1(C)C ZINC000000269461 188272528 /nfs/dbraw/zinc/27/25/28/188272528.db2.gz LHQLVZPDWVBYBZ-UHFFFAOYSA-N 0 0 221.300 2.871 50 0 BFAARN Cc1cccc(C(=O)Nc2cccc(C)n2)c1 ZINC000000579315 188273093 /nfs/dbraw/zinc/27/30/93/188273093.db2.gz AKCGNQRHTCXVRF-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 in-vivo BFAARN Cc1cc(O)cc(C)c1Br ZINC000000339095 188273141 /nfs/dbraw/zinc/27/31/41/188273141.db2.gz WMUWDPLTTLJNPE-UHFFFAOYSA-N 0 0 201.063 2.772 50 0 BFAARN CC(C)C[C@H](C)NC(=O)Cc1ccccc1F ZINC000000362232 188273159 /nfs/dbraw/zinc/27/31/59/188273159.db2.gz QHXPFVGJPUJAPP-NSHDSACASA-N 0 0 237.318 2.919 50 0 BFAARN CC(=O)O[C@@H]1CCCC[C@H]1n1nc(C)cc1C ZINC000000553889 188273388 /nfs/dbraw/zinc/27/33/88/188273388.db2.gz OIBGRPDKPXNRMM-CHWSQXEVSA-N 0 0 236.315 2.547 50 0 BFAARN CN(C)c1ccccc1Br ZINC000001665953 188273880 /nfs/dbraw/zinc/27/38/80/188273880.db2.gz ONMSBNJJCUCYED-UHFFFAOYSA-N 0 0 200.079 2.515 50 0 BFAARN COc1ccc(CNc2ccccn2)cc1OC ZINC000001847056 188274375 /nfs/dbraw/zinc/27/43/75/188274375.db2.gz UGXGHCBYVTVEOZ-UHFFFAOYSA-N 0 0 244.294 2.711 50 0 BFAARN COc1ccc(CCC(=O)C2CC2)cc1 ZINC000002516588 188274642 /nfs/dbraw/zinc/27/46/42/188274642.db2.gz VBGMKIIMHWHHBN-UHFFFAOYSA-N 0 0 204.269 2.607 50 0 BFAARN Cc1c(F)cccc1C(=O)C(F)(F)F ZINC000002378585 188274728 /nfs/dbraw/zinc/27/47/28/188274728.db2.gz QBNUSHRAWRQVIN-UHFFFAOYSA-N 0 0 206.138 2.879 50 0 BFAARN Nc1ccc2[nH]c(-c3ccccc3O)nc2c1 ZINC000004126423 188275219 /nfs/dbraw/zinc/27/52/19/188275219.db2.gz IRGONGJBIVBVLQ-UHFFFAOYSA-N 0 0 225.251 2.518 50 0 BFAARN Clc1nc2cc3c(cc2s1)OCCO3 ZINC000003866259 188275340 /nfs/dbraw/zinc/27/53/40/188275340.db2.gz BUTRPUXKRPRXLK-UHFFFAOYSA-N 0 0 227.672 2.721 50 0 BFAARN C[C@H](C[C@H]1OC[C@@H](C)O1)c1ccccc1 ZINC000004184267 188275645 /nfs/dbraw/zinc/27/56/45/188275645.db2.gz JVVKHPVHCMSPGX-WZRBSPASSA-N 0 0 206.285 2.942 50 0 BFAARN CCn1ncc(NC(=O)c2ccc(F)cc2)c1C ZINC000002796395 188275868 /nfs/dbraw/zinc/27/58/68/188275868.db2.gz IMENWQNKWUKCBK-UHFFFAOYSA-N 0 0 247.273 2.603 50 0 BFAARN Cc1cccc(NC(=S)N2CCCC2)c1 ZINC000005571192 188278079 /nfs/dbraw/zinc/27/80/79/188278079.db2.gz RVPVMFVBGCXKOG-UHFFFAOYSA-N 0 0 220.341 2.788 50 0 BFAARN CC(=O)Nc1ccccc1OCc1cc(C)no1 ZINC000009869875 188278439 /nfs/dbraw/zinc/27/84/39/188278439.db2.gz BVOIDISWONEDHH-UHFFFAOYSA-N 0 0 246.266 2.520 50 0 BFAARN Cc1ccc(NC(=O)C[C@H]2C=CCC2)nc1 ZINC000012523296 188279759 /nfs/dbraw/zinc/27/97/59/188279759.db2.gz ONWXHTNHICWLAR-NSHDSACASA-N 0 0 216.284 2.685 50 0 BFAARN O=C(NC(C1CC1)C1CC1)c1ccc(Cl)o1 ZINC000025155453 188283454 /nfs/dbraw/zinc/28/34/54/188283454.db2.gz ZYHNXEHMGXFJLH-UHFFFAOYSA-N 0 0 239.702 2.851 50 0 BFAARN O=C(NC(C1CC1)C1CC1)C1CCCCC1 ZINC000032904232 188284047 /nfs/dbraw/zinc/28/40/47/188284047.db2.gz CAYOKHJYHUXNKE-UHFFFAOYSA-N 0 0 221.344 2.872 50 0 BFAARN CC(=O)C[C@](N)(c1ccc(C)cc1)C(F)(F)F ZINC000032629054 188284209 /nfs/dbraw/zinc/28/42/09/188284209.db2.gz ZJRRIOCICOIXGX-NSHDSACASA-N 0 0 245.244 2.690 50 0 BFAARN S=C1N=NC(Cc2cccc3ccccc32)N1 ZINC000032500946 188284275 /nfs/dbraw/zinc/28/42/75/188284275.db2.gz HMQSJRHYLAGODA-UHFFFAOYSA-N 0 0 241.319 2.837 50 0 BFAARN CC(C)=CC(=O)N[C@H](C)Cc1cccs1 ZINC000069531390 188285332 /nfs/dbraw/zinc/28/53/32/188285332.db2.gz YHGKSEIUDRCBHX-SNVBAGLBSA-N 0 0 223.341 2.762 50 0 BFAARN Cc1cc2cnn(C)c2cc1Br ZINC000036533442 188286665 /nfs/dbraw/zinc/28/66/65/188286665.db2.gz WIZYXBZBDVQMCU-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN C=CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000037828554 188287878 /nfs/dbraw/zinc/28/78/78/188287878.db2.gz DCWWMZJDFQWPFD-ZDUSSCGKSA-N 0 0 231.295 2.545 50 0 BFAARN CCOC(=O)C[C@H](C)CC(=O)c1ccccc1 ZINC000039249325 188290861 /nfs/dbraw/zinc/29/08/61/188290861.db2.gz YBWFBAQVWOMRQV-LLVKDONJSA-N 0 0 234.295 2.849 50 0 BFAARN CC(C)(C)c1cc(=O)oc2cc(O)ccc21 ZINC000040165594 188292193 /nfs/dbraw/zinc/29/21/93/188292193.db2.gz ZVZQYXSNWRGJDS-UHFFFAOYSA-N 0 0 218.252 2.796 50 0 BFAARN Cc1ccc(C(=O)c2ccc(F)cc2F)nc1 ZINC000045028565 188297999 /nfs/dbraw/zinc/29/79/99/188297999.db2.gz UWGJUXPAXBOJHH-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CC(C)Cn1cc(NC2CCSCC2)cn1 ZINC000090200116 188303970 /nfs/dbraw/zinc/30/39/70/188303970.db2.gz GUZDTXSJVVIBJK-UHFFFAOYSA-N 0 0 239.388 2.847 50 0 BFAARN CC(C)Cn1cc(NCc2cscn2)cn1 ZINC000090199977 188304326 /nfs/dbraw/zinc/30/43/26/188304326.db2.gz JTWZLEBLJOCPTK-UHFFFAOYSA-N 0 0 236.344 2.608 50 0 BFAARN CSc1nccc(NCc2ccccc2)n1 ZINC000071261622 188305489 /nfs/dbraw/zinc/30/54/89/188305489.db2.gz XKXIAFTYXCCCQG-UHFFFAOYSA-N 0 0 231.324 2.811 50 0 BFAARN CCn1cc(Br)c(C(F)(F)F)n1 ZINC000072209425 188306684 /nfs/dbraw/zinc/30/66/84/188306684.db2.gz DPIASTGKYPRSIE-UHFFFAOYSA-N 0 0 243.026 2.684 50 0 BFAARN CC(=O)Nc1ccc(C)c(Br)c1 ZINC000059458995 188259145 /nfs/dbraw/zinc/25/91/45/188259145.db2.gz KEVGOMKRAFQTBF-UHFFFAOYSA-N 0 0 228.089 2.716 50 0 BFAARN Cc1nccc(C(=O)OC[C@H]2CC=CC[C@H]2C)n1 ZINC000079790610 188312128 /nfs/dbraw/zinc/31/21/28/188312128.db2.gz BURHNMUPWULKKC-ZYHUDNBSSA-N 0 0 246.310 2.544 50 0 BFAARN Nc1ccc2[nH]c(C(F)(F)F)cc2c1 ZINC000082383442 188312979 /nfs/dbraw/zinc/31/29/79/188312979.db2.gz YGKYREAEEVHLSQ-UHFFFAOYSA-N 0 0 200.163 2.769 50 0 BFAARN CC(C)(C)OC(=O)n1ccc2ccncc21 ZINC000085224142 188316572 /nfs/dbraw/zinc/31/65/72/188316572.db2.gz VDJQDKIUIIFWJD-UHFFFAOYSA-N 0 0 218.256 2.820 50 0 BFAARN CC(C)[C@H](C)CC(=O)N[C@H]1CCC[C@H]1C ZINC000084691756 188316924 /nfs/dbraw/zinc/31/69/24/188316924.db2.gz NKVNHQJBZCFEHP-UTUOFQBUSA-N 0 0 211.349 2.973 50 0 BFAARN CC1(c2cc(Br)ccn2)CC1 ZINC000088190217 188318374 /nfs/dbraw/zinc/31/83/74/188318374.db2.gz MTCUFGSMUDIWDV-UHFFFAOYSA-N 0 0 212.090 2.896 50 0 BFAARN Cn1c(Cl)c(C=O)c(C=O)c1-c1ccccc1 ZINC000001391394 353354246 /nfs/dbraw/zinc/35/42/46/353354246.db2.gz JYWVVGFLHXYNHC-UHFFFAOYSA-N 0 0 247.681 2.971 50 0 BFAARN Cc1occc(=O)c1OCc1ccc(F)cc1 ZINC000001392031 353354324 /nfs/dbraw/zinc/35/43/24/353354324.db2.gz JSPXGPOJCDKMEA-UHFFFAOYSA-N 0 0 234.226 2.666 50 0 BFAARN CC(C)=CCS(=O)(=O)Cc1ccccc1 ZINC000005631515 188332176 /nfs/dbraw/zinc/33/21/76/188332176.db2.gz ORNYZLJHPGXFEA-UHFFFAOYSA-N 0 0 224.325 2.568 50 0 BFAARN CC(=O)Nc1nc(C)oc1-c1ccccc1 ZINC000003212840 188336193 /nfs/dbraw/zinc/33/61/93/188336193.db2.gz LPKJNKULLZWEGE-UHFFFAOYSA-N 0 0 216.240 2.608 50 0 BFAARN Cc1oncc1C(=S)Nc1ccccc1 ZINC000006552654 188337939 /nfs/dbraw/zinc/33/79/39/188337939.db2.gz RBRBBRSFDQFJDL-UHFFFAOYSA-N 0 0 218.281 2.771 50 0 BFAARN CC(C)=CCOC(=O)c1cncc(C)c1 ZINC000181465285 188345310 /nfs/dbraw/zinc/34/53/10/188345310.db2.gz SILKRWNJRVDRDT-UHFFFAOYSA-N 0 0 205.257 2.513 50 0 BFAARN Cc1ccnc(NC(=O)c2ccc(Cl)nc2)c1 ZINC000019844187 188350447 /nfs/dbraw/zinc/35/04/47/188350447.db2.gz KAAMQQQGNRJILG-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1cccc(C(=O)Nc2ccccc2)n1 ZINC000012871525 188354525 /nfs/dbraw/zinc/35/45/25/188354525.db2.gz HUIMYGTUNJLVTJ-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN Fc1ncc(Br)cc1OC(F)F ZINC000263624504 188370555 /nfs/dbraw/zinc/37/05/55/188370555.db2.gz RDGMZRNDOOKSBP-UHFFFAOYSA-N 0 0 241.994 2.585 50 0 BFAARN CC(=O)Nc1ccc(-c2ccc(C=O)o2)cc1 ZINC000006692625 188398956 /nfs/dbraw/zinc/39/89/56/188398956.db2.gz BRMINCSZLBBYGJ-UHFFFAOYSA-N 0 0 229.235 2.718 50 0 BFAARN Cc1c(F)cccc1NC(=O)N1CC(C)C1 ZINC000336495166 188412047 /nfs/dbraw/zinc/41/20/47/188412047.db2.gz GEQPTVDLDCIDQD-UHFFFAOYSA-N 0 0 222.263 2.618 50 0 BFAARN c1csc(-c2noc(-c3ccncc3)n2)c1 ZINC000001421834 353697222 /nfs/dbraw/zinc/69/72/22/353697222.db2.gz GMGSSLHPYHRBLM-UHFFFAOYSA-N 0 0 229.264 2.860 50 0 BFAARN Fc1ccccc1-c1ccc(Cl)nn1 ZINC000026420490 181009247 /nfs/dbraw/zinc/00/92/47/181009247.db2.gz VSJCZKWUVAOYPD-UHFFFAOYSA-N 0 0 208.623 2.936 50 0 BFAARN Fc1ccccc1-c1nc(-c2ccccn2)no1 ZINC000000468026 181009635 /nfs/dbraw/zinc/00/96/35/181009635.db2.gz UNLKICKRSJKPQP-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN CC(=O)Oc1ccc2oc3c(c2c1)C(=O)CCC3 ZINC000002129467 363264640 /nfs/dbraw/zinc/26/46/40/363264640.db2.gz RUFWBYHPYKXLFY-UHFFFAOYSA-N 0 0 244.246 2.877 50 0 biogenic BFAARN CCN(C(=O)C1CCC1)c1ccccc1 ZINC000032714734 354521129 /nfs/dbraw/zinc/52/11/29/354521129.db2.gz MRIAUKUPYANJBD-UHFFFAOYSA-N 0 0 203.285 2.840 50 0 BFAARN C[C@@H](N(C)C(=O)c1ccccn1)C(C)(C)C ZINC000032788098 354580728 /nfs/dbraw/zinc/58/07/28/354580728.db2.gz AJGMHVYCONKNIU-SNVBAGLBSA-N 0 0 220.316 2.588 50 0 BFAARN CCCCCC(=O)NCc1ccc(OC)cc1 ZINC000005501971 363393006 /nfs/dbraw/zinc/39/30/06/363393006.db2.gz ODPOWIXJDVGGHN-UHFFFAOYSA-N 0 0 235.327 2.892 50 0 BFAARN Cc1nc2ccccc2n1CC1(O)CCCC1 ZINC000087463991 355284970 /nfs/dbraw/zinc/28/49/70/355284970.db2.gz LAWVJFRBAHRJDS-UHFFFAOYSA-N 0 0 230.311 2.650 50 0 BFAARN CCCCCc1ccc(C(=O)NC)cc1 ZINC000006203595 168749231 /nfs/dbraw/zinc/74/92/31/168749231.db2.gz YHZIEBNBMCBXAS-UHFFFAOYSA-N 0 0 205.301 2.779 50 0 BFAARN COC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000001459368 355770189 /nfs/dbraw/zinc/77/01/89/355770189.db2.gz IIAVBDCSUIHSHC-JTQLQIEISA-N 0 0 222.284 2.750 50 0 BFAARN Cc1ccc(N=c2ssnc2Cl)nc1 ZINC000252505325 363454230 /nfs/dbraw/zinc/45/42/30/363454230.db2.gz LBEWEPZNDKOVBC-UHFFFAOYSA-N 0 0 243.744 2.794 50 0 BFAARN NC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000002168734 181211447 /nfs/dbraw/zinc/21/14/47/181211447.db2.gz VTOAFAPBGXLGME-KAMYIIQDSA-N 0 0 223.275 2.713 50 0 BFAARN O[C@@H]1CCCC[C@H]1Nc1cccc(F)c1F ZINC000040230485 355814791 /nfs/dbraw/zinc/81/47/91/355814791.db2.gz ZUGHOLBBPUTODQ-MWLCHTKSSA-N 0 0 227.254 2.680 50 0 BFAARN NC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000002168732 181212288 /nfs/dbraw/zinc/21/22/88/181212288.db2.gz VTOAFAPBGXLGME-SDNWHVSQSA-N 0 0 223.275 2.713 50 0 BFAARN CC(C)COc1ccc(C(=O)N2CCCC2)cc1 ZINC000001476177 355854489 /nfs/dbraw/zinc/85/44/89/355854489.db2.gz DBLYAHVDVFVLKJ-UHFFFAOYSA-N 0 0 247.338 2.957 50 0 BFAARN CC[C@@H]1CCCCN1Cc1nnsc1Cl ZINC000035164769 355862725 /nfs/dbraw/zinc/86/27/25/355862725.db2.gz BVWMCFDLUIYQDU-MRVPVSSYSA-N 0 0 245.779 2.956 50 0 BFAARN NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000000030152 181218596 /nfs/dbraw/zinc/21/85/96/181218596.db2.gz DYMSJANEHGEKSI-UHFFFAOYSA-N 0 0 225.291 2.694 50 0 BFAARN CCCOc1cccc(-c2nccnc2NC)c1 ZINC000126200889 355948925 /nfs/dbraw/zinc/94/89/25/355948925.db2.gz OPQKUKTXFLETLE-UHFFFAOYSA-N 0 0 243.310 2.974 50 0 BFAARN NC(=O)Oc1ccc(Cc2ccccc2)cc1 ZINC000000001314 181264154 /nfs/dbraw/zinc/26/41/54/181264154.db2.gz ZBJBRUSGEJORQL-UHFFFAOYSA-N 0 0 227.263 2.735 50 0 in-man BFAARN Cc1ccc2c(c1C)OC(C)(C)C[C@@H]2O ZINC000011568141 356367543 /nfs/dbraw/zinc/36/75/43/356367543.db2.gz WPINEGROAATYJN-NSHDSACASA-N 0 0 206.285 2.898 50 0 BFAARN c1ccc(CC[C@H]2CCCCC23OCCO3)nc1 ZINC000000399770 356358139 /nfs/dbraw/zinc/35/81/39/356358139.db2.gz HUHZMHBFEVJWJJ-CYBMUJFWSA-N 0 0 247.338 2.948 50 0 BFAARN CN(C=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000400463 356358805 /nfs/dbraw/zinc/35/88/05/356358805.db2.gz ZMQCIZFNPLHWDZ-UHFFFAOYSA-N 0 0 247.081 2.614 50 0 BFAARN CC1(C)OC(=O)C[C@H]1C=C(Cl)Cl ZINC000004800346 356362556 /nfs/dbraw/zinc/36/25/56/356362556.db2.gz COKNOMNYGGDKQI-RXMQYKEDSA-N 0 0 209.072 2.647 50 0 BFAARN O=C1CC[C@H]2[C@@H]1C=CC21SCCCS1 ZINC000045072265 356372535 /nfs/dbraw/zinc/37/25/35/356372535.db2.gz VLGFSYYRLIRPBV-IUCAKERBSA-N 0 0 226.366 2.718 50 0 BFAARN NC(=O)[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000000093989 181270280 /nfs/dbraw/zinc/27/02/80/181270280.db2.gz FUZYTVDVLBBXDL-SECBINFHSA-N 0 0 248.713 2.727 50 0 investigational BFAARN CCOC(=O)c1ncoc1C(C)(C)CC ZINC000054404430 356369834 /nfs/dbraw/zinc/36/98/34/356369834.db2.gz RFACBNZRYSWQGI-UHFFFAOYSA-N 0 0 211.261 2.539 50 0 BFAARN COc1cccc(SCCC(C)=O)c1 ZINC000035229076 356421099 /nfs/dbraw/zinc/42/10/99/356421099.db2.gz NCOIBIZHDRGVHC-UHFFFAOYSA-N 0 0 210.298 2.766 50 0 BFAARN NC(=O)[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000051330288 181277513 /nfs/dbraw/zinc/27/75/13/181277513.db2.gz BUIVWFXITQHJJQ-GDBMZVCRSA-N 0 0 237.302 2.597 50 0 BFAARN O=C(CCc1ccccc1O)NC1CCCCC1 ZINC000012881266 356486192 /nfs/dbraw/zinc/48/61/92/356486192.db2.gz YVCIDNUCYKZNRY-UHFFFAOYSA-N 0 0 247.338 2.774 50 0 BFAARN O=C(c1ccc2ncsc2c1)N1CCCC1 ZINC000017356290 363491826 /nfs/dbraw/zinc/49/18/26/363491826.db2.gz XXFSTRCECCZCLR-UHFFFAOYSA-N 0 0 232.308 2.532 50 0 BFAARN Cc1ccc(N2N[C@@](C)(CC(C)C)NC2=O)cc1 ZINC000334160366 134159862 /nfs/dbraw/zinc/15/98/62/134159862.db2.gz CAWYVQIFWFPKJH-AWEZNQCLSA-N 0 0 247.342 2.792 50 0 BFAARN Clc1ccc2[nH]c3c(c2c1)COCC3 ZINC000083728652 538520093 /nfs/dbraw/zinc/52/00/93/538520093.db2.gz YANINBQINHSQKG-UHFFFAOYSA-N 0 0 207.660 2.894 50 0 BFAARN Cc1cccc(CC2CN(C(=O)[C@H]3C[C@H]3C)C2)c1 ZINC000085459282 538541521 /nfs/dbraw/zinc/54/15/21/538541521.db2.gz GGBNKMZXCMEOPA-DOMZBBRYSA-N 0 0 243.350 2.652 50 0 BFAARN COC(=O)Cc1cc(Cl)nc2ccc(C)cc12 ZINC000675082118 538523537 /nfs/dbraw/zinc/52/35/37/538523537.db2.gz STLRMIQTWQNBAE-UHFFFAOYSA-N 0 0 249.697 2.912 50 0 BFAARN c1cc(N[C@@H]2CCOC2)cc(N2CCCCC2)c1 ZINC000095971903 538608794 /nfs/dbraw/zinc/60/87/94/538608794.db2.gz RBEPWEMNXGBQBI-CQSZACIVSA-N 0 0 246.354 2.878 50 0 BFAARN O=C(c1cnn(C2CCCCC2)c1)N1CCCC1 ZINC000089764457 538583594 /nfs/dbraw/zinc/58/35/94/538583594.db2.gz KWCWNDLQYGWGMB-UHFFFAOYSA-N 0 0 247.342 2.624 50 0 BFAARN O=C(c1ccco1)N1CC=C(c2ccccc2)C1 ZINC000095465015 538607571 /nfs/dbraw/zinc/60/75/71/538607571.db2.gz ULHWGTAADJWRPZ-UHFFFAOYSA-N 0 0 239.274 2.819 50 0 BFAARN CC(=O)N1CCC[C@@H]1c1cc(C)cc(C)c1 ZINC000095397209 538605480 /nfs/dbraw/zinc/60/54/80/538605480.db2.gz YCNJMCMVEGJRJX-CQSZACIVSA-N 0 0 217.312 2.987 50 0 BFAARN CC(=O)N[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000095401756 538606975 /nfs/dbraw/zinc/60/69/75/538606975.db2.gz GTIZHCUTGLWZLL-VIFPVBQESA-N 0 0 209.264 2.640 50 0 BFAARN COc1cc(-c2ccccc2C=O)ccn1 ZINC000095699095 538610009 /nfs/dbraw/zinc/61/00/09/538610009.db2.gz YDTPDPMCKJSIJH-UHFFFAOYSA-N 0 0 213.236 2.570 50 0 BFAARN CC(C)(C)N1C(=O)OC2(CCCCC2)[C@]1(C)O ZINC000075250925 356914186 /nfs/dbraw/zinc/91/41/86/356914186.db2.gz OPQZOQNOMWZKDM-LBPRGKRZSA-N 0 0 241.331 2.649 50 0 BFAARN CC(C)(C)N1C(=O)OC2(CCCCC2)[C@@]1(C)O ZINC000075250927 356914262 /nfs/dbraw/zinc/91/42/62/356914262.db2.gz OPQZOQNOMWZKDM-GFCCVEGCSA-N 0 0 241.331 2.649 50 0 BFAARN S=c1[nH]c(-c2ccccc2)nc2ncccc21 ZINC000075259596 356920966 /nfs/dbraw/zinc/92/09/66/356920966.db2.gz HRNOHSQRUZKIQR-UHFFFAOYSA-N 0 0 239.303 2.981 50 0 BFAARN C[C@H](NC(=O)c1ccccn1)c1cccc(F)c1 ZINC000012864884 538776607 /nfs/dbraw/zinc/77/66/07/538776607.db2.gz WTJYALAUIZPDMT-JTQLQIEISA-N 0 0 244.269 2.712 50 0 BFAARN Cc1ccc2nc(C)cc(C(=O)N3CCC3)c2c1 ZINC000012919898 538777843 /nfs/dbraw/zinc/77/78/43/538777843.db2.gz PMOMWFLFJGJQBJ-UHFFFAOYSA-N 0 0 240.306 2.698 50 0 BFAARN C[C@H](NC(=O)c1ccoc1)c1cccc(F)c1 ZINC000012953618 538779282 /nfs/dbraw/zinc/77/92/82/538779282.db2.gz JYZOMEWCGFZALQ-VIFPVBQESA-N 0 0 233.242 2.910 50 0 BFAARN Nc1ccc2cc(C(F)(F)F)ccc2n1 ZINC000026474758 357145137 /nfs/dbraw/zinc/14/51/37/357145137.db2.gz IMXIFGHLRHXQGE-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000000276329 357150975 /nfs/dbraw/zinc/15/09/75/357150975.db2.gz LUMDRWWSKDYVFI-WCFLWFBJSA-N 0 0 217.312 2.705 50 0 BFAARN Cc1ccoc1C(=O)Nc1ccccc1F ZINC000025318434 357196065 /nfs/dbraw/zinc/19/60/65/357196065.db2.gz QGUMMEIROZPCPN-UHFFFAOYSA-N 0 0 219.215 2.979 50 0 BFAARN NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000005936654 181292493 /nfs/dbraw/zinc/29/24/93/181292493.db2.gz XTPWJBLYVBMEQX-UHFFFAOYSA-N 0 0 221.643 2.699 50 0 BFAARN NC(=O)c1ccc(-c2nc3ccccc3o2)cc1 ZINC000020154406 181293450 /nfs/dbraw/zinc/29/34/50/181293450.db2.gz NVXRXPXCVXOQEB-UHFFFAOYSA-N 0 0 238.246 2.594 50 0 BFAARN Cc1ccc(C)c2c3c([nH]c21)-c1nonc1CC3 ZINC000013126832 357994518 /nfs/dbraw/zinc/99/45/18/357994518.db2.gz LSDFHVHVVIUVLC-UHFFFAOYSA-N 0 0 239.278 2.933 50 0 BFAARN C[C@@H](CNC(=O)c1ccncc1)c1ccccc1 ZINC000012982288 358021263 /nfs/dbraw/zinc/02/12/63/358021263.db2.gz KUMDDXSACSWWBG-LBPRGKRZSA-N 0 0 240.306 2.615 50 0 BFAARN Cc1ccc(F)c(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000013019551 358195158 /nfs/dbraw/zinc/19/51/58/358195158.db2.gz RUOMZFDQAPMCHO-RKDXNWHRSA-N 0 0 207.248 2.729 50 0 BFAARN O=C(Nc1ccsc1)N[C@@H]1CC[C@H](F)C1 ZINC000334237668 358222897 /nfs/dbraw/zinc/22/28/97/358222897.db2.gz LZOCVMAMZXCFGM-JGVFFNPUSA-N 0 0 228.292 2.760 50 0 BFAARN CCc1[nH]nc(NCc2scnc2C)c1C ZINC000089280071 358954334 /nfs/dbraw/zinc/95/43/34/358954334.db2.gz DRBDHWNUUNYHPS-UHFFFAOYSA-N 0 0 236.344 2.658 50 0 BFAARN CC[C@@]1(C)C[C@H](c2csc(N)n2)CCO1 ZINC000000207040 359618313 /nfs/dbraw/zinc/61/83/13/359618313.db2.gz AECHTYJNUUZQBK-KCJUWKMLSA-N 0 0 226.345 2.788 50 0 biogenic BFAARN CCCC(=O)Cc1cc2ccccc2oc1=O ZINC000000519369 359621924 /nfs/dbraw/zinc/62/19/24/359621924.db2.gz BECPBGQTBYHGAL-UHFFFAOYSA-N 0 0 230.263 2.705 50 0 biogenic BFAARN C=CC(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000036334147 359663017 /nfs/dbraw/zinc/66/30/17/359663017.db2.gz YJOJMGVPELEGKI-UHFFFAOYSA-N 0 0 231.173 2.710 50 0 BFAARN C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCCC1 ZINC000089927779 360048829 /nfs/dbraw/zinc/04/88/29/360048829.db2.gz OLZBBEOFDPPCHI-CHWSQXEVSA-N 0 0 239.359 2.594 50 0 BFAARN Cc1ccc(NC(=O)[C@@H](O)c2ccccc2)cc1 ZINC000005928989 360500289 /nfs/dbraw/zinc/50/02/89/360500289.db2.gz BINKBTHAZZIVLD-AWEZNQCLSA-N 0 0 241.290 2.667 50 0 BFAARN CCOc1cccc(C(=O)N2CCC(C)CC2)c1 ZINC000016604700 219814055 /nfs/dbraw/zinc/81/40/55/219814055.db2.gz QQRPYUYKSAXJTQ-UHFFFAOYSA-N 0 0 247.338 2.957 50 0 BFAARN NC(=O)c1cccc(-n2ccc3ccccc32)c1 ZINC000044227442 181302488 /nfs/dbraw/zinc/30/24/88/181302488.db2.gz ICSRHMXTDHHZFS-UHFFFAOYSA-N 0 0 236.274 2.729 50 0 BFAARN O=C(CCc1ccco1)NC1CCCCC1 ZINC000036140141 360658831 /nfs/dbraw/zinc/65/88/31/360658831.db2.gz SOGWXGDSSNVDSP-UHFFFAOYSA-N 0 0 221.300 2.661 50 0 BFAARN O=C(c1cccc(-n2cccc2)c1)N1CCCC1 ZINC000036140955 360659894 /nfs/dbraw/zinc/65/98/94/360659894.db2.gz PLXRFWYAXZRACI-UHFFFAOYSA-N 0 0 240.306 2.713 50 0 BFAARN NC(=O)c1ccccc1NCc1cccc(F)c1 ZINC000010939434 181306087 /nfs/dbraw/zinc/30/60/87/181306087.db2.gz ZDTGDAAAWJXXKW-UHFFFAOYSA-N 0 0 244.269 2.537 50 0 BFAARN NC(=O)c1ccccc1Nc1ccccc1 ZINC000001674116 181306390 /nfs/dbraw/zinc/30/63/90/181306390.db2.gz JKWQUMKCVDUICQ-UHFFFAOYSA-N 0 0 212.252 2.529 50 0 BFAARN NC(=S)NN(c1ccccc1)c1ccccc1 ZINC000002513364 181318296 /nfs/dbraw/zinc/31/82/96/181318296.db2.gz RIGSCLQYDNUWPR-UHFFFAOYSA-N 0 0 243.335 2.573 50 0 BFAARN CC(C)C(=O)Nc1nc(-c2ccncc2)cs1 ZINC000006830359 360952257 /nfs/dbraw/zinc/95/22/57/360952257.db2.gz BMZMUXRCWKXNEA-UHFFFAOYSA-N 0 0 247.323 2.800 50 0 BFAARN COC(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000006844614 360991829 /nfs/dbraw/zinc/99/18/29/360991829.db2.gz SITBEBOYLOYKGY-QMMMGPOBSA-N 0 0 228.675 2.589 50 0 BFAARN O=Cc1ccc(Cl)cc1OCC1CC1 ZINC000163058856 361053628 /nfs/dbraw/zinc/05/36/28/361053628.db2.gz YMPLHIJBUASDTM-UHFFFAOYSA-N 0 0 210.660 2.941 50 0 BFAARN CS[C@H](C)C(=O)NCc1ccc(Cl)s1 ZINC000036398261 361084428 /nfs/dbraw/zinc/08/44/28/361084428.db2.gz WFEZTLLOSSBGSW-ZCFIWIBFSA-N 0 0 249.788 2.769 50 0 BFAARN C[C@@H](Cc1cccs1)NC(=O)c1ccco1 ZINC000036396035 361082102 /nfs/dbraw/zinc/08/21/02/361082102.db2.gz CKYXOKWOHKVFLC-VIFPVBQESA-N 0 0 235.308 2.702 50 0 BFAARN CCCNC(=O)c1cc(-c2ccccc2)cn1C ZINC000065170677 361157733 /nfs/dbraw/zinc/15/77/33/361157733.db2.gz BIMKOKVNLXQCES-UHFFFAOYSA-N 0 0 242.322 2.832 50 0 BFAARN COc1ccc(-c2ncnc(N)c2C)cc1Cl ZINC000426486148 200991254 /nfs/dbraw/zinc/99/12/54/200991254.db2.gz MQIDXWNZNWYVAZ-UHFFFAOYSA-N 0 0 249.701 2.527 50 0 BFAARN CCOc1ncccc1-c1ccnn1C(C)C ZINC000426649438 200994066 /nfs/dbraw/zinc/99/40/66/200994066.db2.gz BQYZDMOXLPXYRT-UHFFFAOYSA-N 0 0 231.299 2.925 50 0 BFAARN CC(=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000023182792 541306144 /nfs/dbraw/zinc/30/61/44/541306144.db2.gz WIQKFLKEHREXFD-UHFFFAOYSA-N 0 0 233.242 2.722 50 0 BFAARN CCOc1ccc(C(C)=O)cc1CN1CCCC1 ZINC000037386201 363924962 /nfs/dbraw/zinc/92/49/62/363924962.db2.gz DFFBTIHEMZKFOU-UHFFFAOYSA-N 0 0 247.338 2.884 50 0 BFAARN C[C@H](Nc1ncnc2ccccc21)[C@@H]1CCCO1 ZINC000037493047 364079193 /nfs/dbraw/zinc/07/91/93/364079193.db2.gz QORNVGIUSDIGEH-GWCFXTLKSA-N 0 0 243.310 2.609 50 0 BFAARN COCc1cccc(C(=O)Nc2nccs2)c1 ZINC000007667067 364037888 /nfs/dbraw/zinc/03/78/88/364037888.db2.gz FQJLANJNHGVVAK-UHFFFAOYSA-N 0 0 248.307 2.542 50 0 BFAARN Cc1ccc(NC(=O)c2cnn(C)c2)cc1Cl ZINC000011427454 370704712 /nfs/dbraw/zinc/70/47/12/370704712.db2.gz WFUAFPSPPNWVRR-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN CC(C)(C)C1=NO[C@@](O)(c2ccccc2)C1 ZINC000000352500 166543168 /nfs/dbraw/zinc/54/31/68/166543168.db2.gz CWLJXUZKESEADP-CYBMUJFWSA-N 0 0 219.284 2.654 50 0 BFAARN C[C@@H](NC(=O)c1ccccc1F)c1ccco1 ZINC000008360269 541453993 /nfs/dbraw/zinc/45/39/93/541453993.db2.gz FPGIQPYXWISMEM-SECBINFHSA-N 0 0 233.242 2.910 50 0 BFAARN C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1cccc(F)c1 ZINC000012905677 541486685 /nfs/dbraw/zinc/48/66/85/541486685.db2.gz YCVOXSYSUKLHSK-HOTUBEGUSA-N 0 0 221.275 2.659 50 0 BFAARN C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1cccc(F)c1 ZINC000012905673 541486689 /nfs/dbraw/zinc/48/66/89/541486689.db2.gz YCVOXSYSUKLHSK-VDDIYKPWSA-N 0 0 221.275 2.659 50 0 BFAARN C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc(F)cc1 ZINC000012913567 541486949 /nfs/dbraw/zinc/48/69/49/541486949.db2.gz UGNNRFZFLLHTDD-VDDIYKPWSA-N 0 0 221.275 2.659 50 0 BFAARN CCN(Cc1cccc(F)c1)C(=O)n1ccnc1 ZINC000032891617 541501740 /nfs/dbraw/zinc/50/17/40/541501740.db2.gz IEIINWKKCSFGKW-UHFFFAOYSA-N 0 0 247.273 2.512 50 0 BFAARN CC[C@H](N[C@H](C)c1nccn1C)c1ccncc1 ZINC000183017788 366965958 /nfs/dbraw/zinc/96/59/58/366965958.db2.gz MZEPRXJIEHYMPN-YPMHNXCESA-N 0 0 244.342 2.617 50 0 BFAARN CC[C@@H](N[C@@H](C)c1nccn1C)c1ccncc1 ZINC000183017770 366966656 /nfs/dbraw/zinc/96/66/56/366966656.db2.gz MZEPRXJIEHYMPN-WCQYABFASA-N 0 0 244.342 2.617 50 0 BFAARN CCOc1ncnc2c3cc(C)ccc3[nH]c21 ZINC000002251629 368139206 /nfs/dbraw/zinc/13/92/06/368139206.db2.gz OMSIYPOVJFIUEL-UHFFFAOYSA-N 0 0 227.267 2.818 50 0 BFAARN Clc1nccnc1Cc1ccccc1 ZINC000032235773 368369761 /nfs/dbraw/zinc/36/97/61/368369761.db2.gz ZBOJSNPGBJMUSG-UHFFFAOYSA-N 0 0 204.660 2.721 50 0 BFAARN CC(C)(C)NC1=CC(=O)OC12CCCCCC2 ZINC000019877738 368370948 /nfs/dbraw/zinc/37/09/48/368370948.db2.gz SXMPNZOVMCYCJG-UHFFFAOYSA-N 0 0 237.343 2.908 50 0 BFAARN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(N)cc1 ZINC000166373995 368397069 /nfs/dbraw/zinc/39/70/69/368397069.db2.gz SUYAPBUIUDTGLR-NWDGAFQWSA-N 0 0 248.326 2.649 50 0 BFAARN Cc1ccc(NC(=O)OC(C)(C)C)cc1CO ZINC000201878312 368397532 /nfs/dbraw/zinc/39/75/32/368397532.db2.gz HTSDSGISRDNGHJ-UHFFFAOYSA-N 0 0 237.299 2.834 50 0 BFAARN Cc1ccc(Cl)nc1CC(=O)OC(C)(C)C ZINC000095837027 368382433 /nfs/dbraw/zinc/38/24/33/368382433.db2.gz FGDTYRCTJWKWLS-UHFFFAOYSA-N 0 0 241.718 2.928 50 0 BFAARN CC(C)(C)C(=O)CN1C=CC=C/C1=C\N=O ZINC000136274758 368389488 /nfs/dbraw/zinc/38/94/88/368389488.db2.gz HRTUWHXSTRMGLN-CSKARUKUSA-N 0 0 220.272 2.595 50 0 BFAARN CC(C)(C)OC(=O)Nc1cc(O)ccc1F ZINC000144615055 368393874 /nfs/dbraw/zinc/39/38/74/368393874.db2.gz XFWNAVKWCCUQAL-UHFFFAOYSA-N 0 0 227.235 2.878 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000253356192 368937094 /nfs/dbraw/zinc/93/70/94/368937094.db2.gz DRZPSBQCDQSQNS-USZNOCQGSA-N 0 0 209.333 2.680 50 0 BFAARN C/C=C/CC(=O)N1CC(Oc2ccc(C)cc2)C1 ZINC000584885518 369033203 /nfs/dbraw/zinc/03/32/03/369033203.db2.gz RXKBNIPQSGRUPD-ONEGZZNKSA-N 0 0 245.322 2.551 50 0 BFAARN Cc1nn(Cc2ccccc2)c(C)c1[C@H](C)O ZINC000054723093 369091349 /nfs/dbraw/zinc/09/13/49/369091349.db2.gz OBMXQGGNQXIKRH-LBPRGKRZSA-N 0 0 230.311 2.602 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000012905496 370983479 /nfs/dbraw/zinc/98/34/79/370983479.db2.gz UFXJEABLPVHYGD-YUSALJHKSA-N 0 0 247.363 2.996 50 0 BFAARN C[C@H](C(=O)Nc1ccncc1F)c1ccccc1 ZINC000165326712 203383684 /nfs/dbraw/zinc/38/36/84/203383684.db2.gz CLSBITPACBZERF-JTQLQIEISA-N 0 0 244.269 2.963 50 0 BFAARN CC[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000013010575 370997684 /nfs/dbraw/zinc/99/76/84/370997684.db2.gz LQPUNXJSKPAXLM-SECBINFHSA-N 0 0 219.284 2.874 50 0 BFAARN CCNC(=O)NCCCc1cc2ccccc2o1 ZINC000390830030 371239753 /nfs/dbraw/zinc/23/97/53/371239753.db2.gz IHIAAXFAXIZJIC-UHFFFAOYSA-N 0 0 246.310 2.685 50 0 BFAARN CC(=O)c1c(F)cccc1N1CC[C@@](C)(F)C1 ZINC000390834646 371240552 /nfs/dbraw/zinc/24/05/52/371240552.db2.gz KQCHMNGNVZYJCX-CYBMUJFWSA-N 0 0 239.265 2.967 50 0 BFAARN C[C@@H](CC(=O)Nc1ccccc1F)n1cccn1 ZINC000020990761 371355608 /nfs/dbraw/zinc/35/56/08/371355608.db2.gz VDHULPZDGJNPLB-JTQLQIEISA-N 0 0 247.273 2.612 50 0 BFAARN Nc1cc(-c2ccc(Cl)s2)no1 ZINC000003715905 181674396 /nfs/dbraw/zinc/67/43/96/181674396.db2.gz GEMHTXKUGCNPMG-UHFFFAOYSA-N 0 0 200.650 2.639 50 0 BFAARN O=C(CCn1cccc1)Nc1ccccc1 ZINC000021016596 371357577 /nfs/dbraw/zinc/35/75/77/371357577.db2.gz FZVZAHXEZNLRAQ-UHFFFAOYSA-N 0 0 214.268 2.517 50 0 BFAARN Nc1cc(Cl)c(Cl)nc1Br ZINC000065337567 181682507 /nfs/dbraw/zinc/68/25/07/181682507.db2.gz OLDNQPYDCCDMJA-UHFFFAOYSA-N 0 0 241.903 2.733 50 0 BFAARN Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000000157516 181692647 /nfs/dbraw/zinc/69/26/47/181692647.db2.gz VQJOWEVCMNYOEK-UHFFFAOYSA-N 0 0 244.685 2.656 50 0 BFAARN CCCc1cc(C(=O)N2CCCC[C@@H]2C)no1 ZINC000021366140 371405431 /nfs/dbraw/zinc/40/54/31/371405431.db2.gz DIJLEXZHJKLYEH-JTQLQIEISA-N 0 0 236.315 2.642 50 0 BFAARN Nc1ccc(Br)cc1OC(F)F ZINC000015444650 181698520 /nfs/dbraw/zinc/69/85/20/181698520.db2.gz DXSGAWDYWNGHGR-UHFFFAOYSA-N 0 0 238.031 2.633 50 0 BFAARN Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1 ZINC000021968551 181708362 /nfs/dbraw/zinc/70/83/62/181708362.db2.gz DZVLVQGJLCCQKE-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN CCC[C@@H]1CCN(N)[C@@H]1c1cccc(OC)c1 ZINC000096027608 371382288 /nfs/dbraw/zinc/38/22/88/371382288.db2.gz WNHHXDQUSUDQGZ-RISCZKNCSA-N 0 0 234.343 2.732 50 0 BFAARN Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000004418086 181747582 /nfs/dbraw/zinc/74/75/82/181747582.db2.gz GRPRJKHUMLXCMJ-UHFFFAOYSA-N 0 0 217.243 2.987 50 0 BFAARN Nc1cccc(NC(=O)CCc2ccccc2)c1 ZINC000007468517 181746260 /nfs/dbraw/zinc/74/62/60/181746260.db2.gz HVIXXESZUFTZMD-UHFFFAOYSA-N 0 0 240.306 2.840 50 0 BFAARN Clc1nnc(N2CCCC2)c2ccccc12 ZINC000021658519 371470730 /nfs/dbraw/zinc/47/07/30/371470730.db2.gz JEMIDLIMWOSGSA-UHFFFAOYSA-N 0 0 233.702 2.883 50 0 BFAARN CCCCOc1ccc2ncc(C(N)=O)cc2c1 ZINC000096345688 371475221 /nfs/dbraw/zinc/47/52/21/371475221.db2.gz ZLAQNQGVEQOXMA-UHFFFAOYSA-N 0 0 244.294 2.513 50 0 BFAARN CCOc1ccc(CSc2n[nH]c(C)n2)cc1 ZINC000002480020 371557310 /nfs/dbraw/zinc/55/73/10/371557310.db2.gz PKFAUZDDSWANHD-UHFFFAOYSA-N 0 0 249.339 2.804 50 0 BFAARN Nc1ccccc1NC(=O)c1cccs1 ZINC000000875230 181755954 /nfs/dbraw/zinc/75/59/54/181755954.db2.gz DQBPJCMRKXOYFY-UHFFFAOYSA-N 0 0 218.281 2.583 50 0 BFAARN Cc1c(NC(=O)c2ccc(Cl)cc2)cnn1C ZINC000002797710 371662021 /nfs/dbraw/zinc/66/20/21/371662021.db2.gz WMMXWMCPUDATQS-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN CC(C)CC(=O)N[C@@H](C)c1ccccc1 ZINC000003180088 371902680 /nfs/dbraw/zinc/90/26/80/371902680.db2.gz WNIGNAWVTKGRLJ-NSHDSACASA-N 0 0 205.301 2.910 50 0 BFAARN Cc1ccc(C2=CN3CCN=C3S2)cc1 ZINC000003256227 371931019 /nfs/dbraw/zinc/93/10/19/371931019.db2.gz JRDCXCFSEBWAIW-UHFFFAOYSA-N 0 0 216.309 2.712 50 0 BFAARN O=C(/C=C/c1cccs1)Nc1ccccn1 ZINC000005395309 181845194 /nfs/dbraw/zinc/84/51/94/181845194.db2.gz NCWSGVKUPCRZAI-VOTSOKGWSA-N 0 0 230.292 2.795 50 0 BFAARN Cc1cccc(NC2=N[C@H](C)CS2)c1 ZINC000003308366 371949023 /nfs/dbraw/zinc/94/90/23/371949023.db2.gz FWENXIRYYJLUSB-SECBINFHSA-N 0 0 206.314 2.898 50 0 BFAARN O=C(N=c1[nH]c2ccccc2s1)c1ccco1 ZINC000006898994 181851966 /nfs/dbraw/zinc/85/19/66/181851966.db2.gz IEHMTXRMAOBNOS-UHFFFAOYSA-N 0 0 244.275 2.564 50 0 BFAARN O=C(/C=C\c1ccccc1)Nc1cccnc1 ZINC000033306173 181849709 /nfs/dbraw/zinc/84/97/09/181849709.db2.gz LIKDGODLSLTXFU-HJWRWDBZSA-N 0 0 224.263 2.734 50 0 BFAARN Fc1cc(Br)c(Cl)cn1 ZINC000228757532 372077234 /nfs/dbraw/zinc/07/72/34/372077234.db2.gz AEAHVJCOIJYDMM-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN CC(C)(C)CCNC(=O)c1[nH]nc2ccccc21 ZINC000031759224 372103511 /nfs/dbraw/zinc/10/35/11/372103511.db2.gz KRWICUPXIHGFFT-UHFFFAOYSA-N 0 0 245.326 2.729 50 0 BFAARN CSc1ccc(-c2ccnc3nncn32)cc1 ZINC000032094053 372146667 /nfs/dbraw/zinc/14/66/67/372146667.db2.gz HDMHMMDCHWQKIR-UHFFFAOYSA-N 0 0 242.307 2.513 50 0 BFAARN O=C(C1CCCC1)N1CCC[C@H]1c1ccncc1 ZINC000032907475 181868403 /nfs/dbraw/zinc/86/84/03/181868403.db2.gz FOOCVYOSNXDENF-AWEZNQCLSA-N 0 0 244.338 2.935 50 0 BFAARN Nc1cccc2c1n[nH]c2-c1cccs1 ZINC000031990421 372129885 /nfs/dbraw/zinc/12/98/85/372129885.db2.gz BACPFIOCZJELAU-UHFFFAOYSA-N 0 0 215.281 2.874 50 0 BFAARN CC(C)c1cccc(NC(=O)Cn2cccn2)c1 ZINC000032491311 372197379 /nfs/dbraw/zinc/19/73/79/372197379.db2.gz HTQGSURDYSHPAD-UHFFFAOYSA-N 0 0 243.310 2.645 50 0 BFAARN O=C(CCC1CCCC1)N1CCCCC1 ZINC000005382543 181905639 /nfs/dbraw/zinc/90/56/39/181905639.db2.gz LCRAOYOVABHDOC-UHFFFAOYSA-N 0 0 209.333 2.969 50 0 BFAARN C[C@@H](Cc1cccs1)NC(=O)C1CCCC1 ZINC000038565712 372702968 /nfs/dbraw/zinc/70/29/68/372702968.db2.gz ROGAGEIDSAECAI-JTQLQIEISA-N 0 0 237.368 2.986 50 0 BFAARN Cc1cnc(NC(=O)CC2CCCC2)s1 ZINC000008428143 372712622 /nfs/dbraw/zinc/71/26/22/372712622.db2.gz YTICXTOIDJXZJA-UHFFFAOYSA-N 0 0 224.329 2.970 50 0 BFAARN O=C(COC(=O)C1CC1)c1ccc(Cl)s1 ZINC000003310374 181991288 /nfs/dbraw/zinc/99/12/88/181991288.db2.gz XVPDGFPDYNXDNJ-UHFFFAOYSA-N 0 0 244.699 2.537 50 0 BFAARN COc1cc(C(=O)N[C@H](C)C2CC2)ccc1C ZINC000008704339 372859498 /nfs/dbraw/zinc/85/94/98/372859498.db2.gz HLGWRQGZAGIYQQ-SNVBAGLBSA-N 0 0 233.311 2.532 50 0 BFAARN O=C(COc1ccccc1)NC1CCCCCC1 ZINC000000146567 182003099 /nfs/dbraw/zinc/00/30/99/182003099.db2.gz QDTREGWSWLVRHM-UHFFFAOYSA-N 0 0 247.338 2.904 50 0 BFAARN O=C(CSC1CCCC1)c1ccc[nH]1 ZINC000040460725 182007151 /nfs/dbraw/zinc/00/71/51/182007151.db2.gz UHLPPBBJVNRQGV-UHFFFAOYSA-N 0 0 209.314 2.873 50 0 BFAARN O=C(CSc1ccccc1)Nc1cccnc1 ZINC000000308981 182008885 /nfs/dbraw/zinc/00/88/85/182008885.db2.gz QJNZVFBWTHHWQM-UHFFFAOYSA-N 0 0 244.319 2.812 50 0 BFAARN O=C(CSc1ccccc1Cl)N1CCC1 ZINC000032721258 182008907 /nfs/dbraw/zinc/00/89/07/182008907.db2.gz MCDZEZMZPMODSV-UHFFFAOYSA-N 0 0 241.743 2.664 50 0 BFAARN O=C(CSc1ccncc1)Nc1ccccc1 ZINC000033019552 182010844 /nfs/dbraw/zinc/01/08/44/182010844.db2.gz ROGBIOZZPZEIJL-UHFFFAOYSA-N 0 0 244.319 2.812 50 0 BFAARN O=C(C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000037464134 182020502 /nfs/dbraw/zinc/02/05/02/182020502.db2.gz IUXVHIIWQCKBKI-NSHDSACASA-N 0 0 208.232 2.578 50 0 BFAARN C[C@H]1CSc2nc3nc4ccccc4c-3nn21 ZINC000008844784 372920483 /nfs/dbraw/zinc/92/04/83/372920483.db2.gz GQJREHOPPSDOOB-ZETCQYMHSA-N 0 0 242.307 2.598 50 0 BFAARN O=C(C[C@H]1C=CCC1)NCCc1cccs1 ZINC000036392815 182024408 /nfs/dbraw/zinc/02/44/08/182024408.db2.gz PLYSWNLICXCZBH-NSHDSACASA-N 0 0 235.352 2.763 50 0 BFAARN O=C(Cc1cccc(O)c1)Nc1ccsc1 ZINC000083142174 182043516 /nfs/dbraw/zinc/04/35/16/182043516.db2.gz ZHBPRVVNJZDOEH-UHFFFAOYSA-N 0 0 233.292 2.635 50 0 BFAARN O=C(Cc1ccccc1)Nc1ccccc1 ZINC000000410019 182043689 /nfs/dbraw/zinc/04/36/89/182043689.db2.gz KYPIASPTMDEDQB-UHFFFAOYSA-N 0 0 211.264 2.868 50 0 BFAARN O=C(Cc1cccs1)NCc1cccs1 ZINC000001053529 182053048 /nfs/dbraw/zinc/05/30/48/182053048.db2.gz GLEROCTZCHWTIS-UHFFFAOYSA-N 0 0 237.349 2.669 50 0 BFAARN CCCc1nc2ccccc2n1COCC ZINC000039929455 373061603 /nfs/dbraw/zinc/06/16/03/373061603.db2.gz FCBZYUZJASCSCS-UHFFFAOYSA-N 0 0 218.300 2.983 50 0 BFAARN O=C(Cc1ccsc1)NCCc1ccccc1 ZINC000009112887 182057647 /nfs/dbraw/zinc/05/76/47/182057647.db2.gz RPLXIEVUJPANJW-UHFFFAOYSA-N 0 0 245.347 2.650 50 0 BFAARN CN1CCN(C(=O)C(C)(C)C)Cc2ccccc21 ZINC000068860607 373077739 /nfs/dbraw/zinc/07/77/39/373077739.db2.gz IMWBXUDHNSMATJ-UHFFFAOYSA-N 0 0 246.354 2.511 50 0 BFAARN CCc1nc(CN2CCC(C)CC2)cs1 ZINC000040049527 373097551 /nfs/dbraw/zinc/09/75/51/373097551.db2.gz ZXGUIAUZCPXOBS-UHFFFAOYSA-N 0 0 224.373 2.937 50 0 BFAARN Cn1ccc2cc(C(=O)NC3CCCC3)ccc21 ZINC000064551709 205470711 /nfs/dbraw/zinc/47/07/11/205470711.db2.gz CFDSZMDNAXPEGB-UHFFFAOYSA-N 0 0 242.322 2.851 50 0 BFAARN O=C(n1ccnc1)N1CCC[C@H]1C1CCCCC1 ZINC000065516091 182080974 /nfs/dbraw/zinc/08/09/74/182080974.db2.gz VVFFMGVPENPVIJ-ZDUSSCGKSA-N 0 0 247.342 2.896 50 0 BFAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc[nH]c1 ZINC000068226869 182092224 /nfs/dbraw/zinc/09/22/24/182092224.db2.gz MCKTWHCDXOUWCZ-UHFFFAOYSA-N 0 0 244.338 2.713 50 0 BFAARN O=C(NC1CC1)c1cccc2ccccc21 ZINC000000474853 182101082 /nfs/dbraw/zinc/10/10/82/182101082.db2.gz ULBQDQBHGKMMOL-UHFFFAOYSA-N 0 0 211.264 2.732 50 0 BFAARN O=C(NC1CC1)c1csc(-c2ccccc2)n1 ZINC000015497657 182102530 /nfs/dbraw/zinc/10/25/30/182102530.db2.gz NRQOHNZXHGUXHM-UHFFFAOYSA-N 0 0 244.319 2.702 50 0 BFAARN CCN(C(=O)[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000040461133 373281820 /nfs/dbraw/zinc/28/18/20/373281820.db2.gz PRCBUJIYNLCWPF-CMPLNLGQSA-N 0 0 203.285 2.696 50 0 BFAARN O=C(NC1CCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000013331740 182105482 /nfs/dbraw/zinc/10/54/82/182105482.db2.gz UPGLUDMAQRGDKI-UHFFFAOYSA-N 0 0 248.370 2.807 50 0 BFAARN CCc1ccc(C(=O)Nc2ncc(C)s2)o1 ZINC000040510988 373408822 /nfs/dbraw/zinc/40/88/22/373408822.db2.gz DOZXADHJHVNIEF-UHFFFAOYSA-N 0 0 236.296 2.859 50 0 BFAARN CS[C@@H](C)C(=O)N[C@@H](C)c1cccs1 ZINC000040523439 373446779 /nfs/dbraw/zinc/44/67/79/373446779.db2.gz IBDASKUUINCBKB-YUMQZZPRSA-N 0 0 229.370 2.677 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1cccc(C(C)=O)c1 ZINC000040525802 373449302 /nfs/dbraw/zinc/44/93/02/373449302.db2.gz WQHRTLUNMHJSOG-SECBINFHSA-N 0 0 234.299 2.809 50 0 BFAARN O=C(NCC1CC1)C1(c2ccccc2)CCC1 ZINC000027469498 182136385 /nfs/dbraw/zinc/13/63/85/182136385.db2.gz BMOSJCIMDKTWFR-UHFFFAOYSA-N 0 0 229.323 2.635 50 0 BFAARN O=C(NCC1CC1)Nc1cccc(Cl)c1 ZINC000000157606 182138673 /nfs/dbraw/zinc/13/86/73/182138673.db2.gz JONZOIZENHCLFR-UHFFFAOYSA-N 0 0 224.691 2.872 50 0 BFAARN O=C(NCC1CCCCC1)c1ccoc1 ZINC000012919172 182146321 /nfs/dbraw/zinc/14/63/21/182146321.db2.gz MELMZCPNELIZDB-UHFFFAOYSA-N 0 0 207.273 2.590 50 0 BFAARN O=C(NCCc1ccc(Cl)cc1)c1ccoc1 ZINC000012853327 182201607 /nfs/dbraw/zinc/20/16/07/182201607.db2.gz VLHKOBWNZIUBKX-UHFFFAOYSA-N 0 0 249.697 2.906 50 0 BFAARN Cn1ccnc1Sc1ncnc2ccsc21 ZINC000009319175 373937692 /nfs/dbraw/zinc/93/76/92/373937692.db2.gz QDHCLOAVATVSLA-UHFFFAOYSA-N 0 0 248.336 2.576 50 0 BFAARN CCCCNC(=O)Nc1cccc2c1CCCN2 ZINC000020256860 168854171 /nfs/dbraw/zinc/85/41/71/168854171.db2.gz MYFUMNJIXBEHFF-UHFFFAOYSA-N 0 0 247.342 2.966 50 0 BFAARN O=C(NCCc1cccs1)NC1CCCC1 ZINC000040024086 182207105 /nfs/dbraw/zinc/20/71/05/182207105.db2.gz VIILXCBIAKKQBG-UHFFFAOYSA-N 0 0 238.356 2.532 50 0 BFAARN O=C(NCCc1cccs1)[C@H]1CC=CCC1 ZINC000040160165 182208516 /nfs/dbraw/zinc/20/85/16/182208516.db2.gz OPZOUPUISQQARO-NSHDSACASA-N 0 0 235.352 2.763 50 0 BFAARN O=C(NCCc1cccs1)c1ccc(F)cc1 ZINC000017909501 182209080 /nfs/dbraw/zinc/20/90/80/182209080.db2.gz DEBGYNWUVZNQTN-UHFFFAOYSA-N 0 0 249.310 2.860 50 0 BFAARN CONC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000009497686 374141485 /nfs/dbraw/zinc/14/14/85/374141485.db2.gz STFILSMLHKQDTA-UHFFFAOYSA-N 0 0 241.290 2.574 50 0 BFAARN CSc1ncc(Nc2ncc(C)s2)cn1 ZINC000009553373 374147685 /nfs/dbraw/zinc/14/76/85/374147685.db2.gz AKASRBHYGAEWTQ-UHFFFAOYSA-N 0 0 238.341 2.707 50 0 BFAARN C[C@H](NC(=O)C1CCC1)c1nc2ccccc2[nH]1 ZINC000009603659 374177126 /nfs/dbraw/zinc/17/71/26/374177126.db2.gz MZOGTTHQYMNYPC-VIFPVBQESA-N 0 0 243.310 2.540 50 0 BFAARN Cc1ccnc(NC(=O)c2ccc(F)c(F)c2)c1 ZINC000041817570 374191508 /nfs/dbraw/zinc/19/15/08/374191508.db2.gz NNKBLUWBTRRAMI-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN O=C(NCc1cccs1)c1ccccc1F ZINC000000473748 182264773 /nfs/dbraw/zinc/26/47/73/182264773.db2.gz WUNOHUYJZKAZSQ-UHFFFAOYSA-N 0 0 235.283 2.817 50 0 BFAARN O=C(NCc1ccccc1)c1cccnc1Cl ZINC000000163422 182257275 /nfs/dbraw/zinc/25/72/75/182257275.db2.gz XSXUVPQJEQBSSO-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN C/C=C/C=C\C(=O)Nc1ncc(C)s1 ZINC000042037733 374238815 /nfs/dbraw/zinc/23/88/15/374238815.db2.gz PEHBUWDHVGXXIC-ICWBMWKASA-N 0 0 208.286 2.522 50 0 BFAARN CS[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000042828801 374291045 /nfs/dbraw/zinc/29/10/45/374291045.db2.gz WPRVRMDTLNMXSH-QWRGUYRKSA-N 0 0 237.368 2.924 50 0 BFAARN CC[C@@H](C)NC(=O)N1CCc2sccc2C1 ZINC000042843564 374292715 /nfs/dbraw/zinc/29/27/15/374292715.db2.gz HAXQOSZISVTNJG-SECBINFHSA-N 0 0 238.356 2.614 50 0 BFAARN O=C(NCc1ccoc1)Nc1cccc(F)c1 ZINC000047697795 182267065 /nfs/dbraw/zinc/26/70/65/182267065.db2.gz BUDAUAOZYSKEBI-UHFFFAOYSA-N 0 0 234.230 2.740 50 0 BFAARN O=C(NO[C@H]1CCCCO1)C1CCCCCC1 ZINC000072078111 182285072 /nfs/dbraw/zinc/28/50/72/182285072.db2.gz BBQAOVIRDBKQFY-LBPRGKRZSA-N 0 0 241.331 2.531 50 0 BFAARN O=C(N[C@@H]1CC2CCC1CC2)c1ccccc1 ZINC000000136582 182289632 /nfs/dbraw/zinc/28/96/32/182289632.db2.gz PKNKWNDXBCGMBJ-ORHYLEIMSA-N 0 0 229.323 2.995 50 0 BFAARN O=C(N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000005442890 182301062 /nfs/dbraw/zinc/30/10/62/182301062.db2.gz POWZJPWFNIZOSW-CYBMUJFWSA-N 0 0 215.296 2.590 50 0 BFAARN CCCCNC(=O)c1ccc(CC)s1 ZINC000013329841 168862539 /nfs/dbraw/zinc/86/25/39/168862539.db2.gz YJCKVXHYQFLDIB-UHFFFAOYSA-N 0 0 211.330 2.840 50 0 BFAARN O=C(N[C@H]1CCCCC12CCCC2)c1ccn[nH]1 ZINC000253429324 182328253 /nfs/dbraw/zinc/32/82/53/182328253.db2.gz RHHYDKYTVMWEBI-LBPRGKRZSA-N 0 0 247.342 2.643 50 0 BFAARN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000055274563 182333475 /nfs/dbraw/zinc/33/34/75/182333475.db2.gz GTRRRNMDQVLUAB-IUCAKERBSA-N 0 0 235.249 2.634 50 0 BFAARN O=C(N[C@H]1CCCc2occc21)c1ccco1 ZINC000012924204 182334311 /nfs/dbraw/zinc/33/43/11/182334311.db2.gz KOGNRAKSZBWUJI-JTQLQIEISA-N 0 0 231.251 2.680 50 0 BFAARN O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000000493895 182344576 /nfs/dbraw/zinc/34/45/76/182344576.db2.gz PNDHLCFURACDRW-GJZGRUSLSA-N 0 0 237.302 2.973 50 0 BFAARN CCCCNC(=S)Nc1ccccc1 ZINC000005315274 168864941 /nfs/dbraw/zinc/86/49/41/168864941.db2.gz MXLMUGKRDLWVJZ-UHFFFAOYSA-N 0 0 208.330 2.773 50 0 BFAARN O=C(Nc1cc(F)cc(F)c1)c1ccccn1 ZINC000018253837 182350362 /nfs/dbraw/zinc/35/03/62/182350362.db2.gz MFWLXNBJXHTAPH-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1ccc(Cl)cc1)c1ccccn1 ZINC000003549445 182354148 /nfs/dbraw/zinc/35/41/48/182354148.db2.gz YYKKCKLOYJLFAW-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1ccc(F)cc1F)c1ccncc1 ZINC000000993926 182356392 /nfs/dbraw/zinc/35/63/92/182356392.db2.gz MDQYPHPIATXIJB-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CCC1 ZINC000038720520 182367167 /nfs/dbraw/zinc/36/71/67/182367167.db2.gz ZROLBZVIEHAWHZ-UHFFFAOYSA-N 0 0 241.294 2.815 50 0 BFAARN O=C(Nc1ccc(F)cn1)c1cccs1 ZINC000028636074 182358300 /nfs/dbraw/zinc/35/83/00/182358300.db2.gz VTZNBWPAAXJPTQ-UHFFFAOYSA-N 0 0 222.244 2.535 50 0 BFAARN O=C(Nc1ccc2c(c1)OCO2)c1cccs1 ZINC000000063664 182365637 /nfs/dbraw/zinc/36/56/37/182365637.db2.gz WEFYRXKTLVGOFU-UHFFFAOYSA-N 0 0 247.275 2.729 50 0 BFAARN O=C(Nc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000000341663 182365916 /nfs/dbraw/zinc/36/59/16/182365916.db2.gz DIVFJWGKUCNZLC-UHFFFAOYSA-N 0 0 247.294 2.934 50 0 BFAARN O=C(Nc1cccc2ncccc21)N1CCCC1 ZINC000043431858 182374726 /nfs/dbraw/zinc/37/47/26/182374726.db2.gz TZRXNPXNWRXTGN-UHFFFAOYSA-N 0 0 241.294 2.863 50 0 BFAARN O=C(Nc1nccs1)Nc1ccccc1 ZINC000001452379 182376241 /nfs/dbraw/zinc/37/62/41/182376241.db2.gz RIZSJMAJCDKJAC-UHFFFAOYSA-N 0 0 219.269 2.787 50 0 BFAARN O=C(Nc1ccccc1F)[C@@H]1CCCS1 ZINC000082324140 182379235 /nfs/dbraw/zinc/37/92/35/182379235.db2.gz WIVDTQFQQKNQRT-JTQLQIEISA-N 0 0 225.288 2.660 50 0 BFAARN O=C(Nc1ccccc1)Oc1cccnc1 ZINC000000395112 182377424 /nfs/dbraw/zinc/37/74/24/182377424.db2.gz UPRPNGGSKFBCOW-UHFFFAOYSA-N 0 0 214.224 2.693 50 0 BFAARN O=C(Nc1ccccc1)c1cnc2ccccc2n1 ZINC000000339551 182377589 /nfs/dbraw/zinc/37/75/89/182377589.db2.gz FJPRNHHLSWRUQD-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1cccc(F)c1F)N1CCCC1 ZINC000049415050 182371008 /nfs/dbraw/zinc/37/10/08/182371008.db2.gz ZFQDYDBWQSDYMS-UHFFFAOYSA-N 0 0 226.226 2.593 50 0 BFAARN O=C(Nc1ccccc1F)NC1(Cl)CC1 ZINC000071778285 182379565 /nfs/dbraw/zinc/37/95/65/182379565.db2.gz URPYXQGVEQYFJF-UHFFFAOYSA-N 0 0 228.654 2.676 50 0 BFAARN O=C(Nc1cccc(O)c1)c1ccsc1 ZINC000020211797 182371602 /nfs/dbraw/zinc/37/16/02/182371602.db2.gz IPQPRLVBBAGTRS-UHFFFAOYSA-N 0 0 219.265 2.706 50 0 BFAARN O=C(Nc1cccc(O)c1)c1cc(C2CC2)on1 ZINC000003908737 182372167 /nfs/dbraw/zinc/37/21/67/182372167.db2.gz OLXTZJVAYJAERL-UHFFFAOYSA-N 0 0 244.250 2.510 50 0 BFAARN O=C(Nc1cccc(O)c1)c1ccccc1 ZINC000000362991 182372611 /nfs/dbraw/zinc/37/26/11/182372611.db2.gz SYNOBHNBCHZOHG-UHFFFAOYSA-N 0 0 213.236 2.645 50 0 BFAARN O=C(Nc1ccccc1F)C1CCCC1 ZINC000000476643 182378898 /nfs/dbraw/zinc/37/88/98/182378898.db2.gz BILOBPFKHTWHOV-UHFFFAOYSA-N 0 0 207.248 2.954 50 0 BFAARN O=C(Nc1ccon1)Nc1ccc(F)cc1F ZINC000015952075 182389014 /nfs/dbraw/zinc/38/90/14/182389014.db2.gz IWUSRMHYZOLAHT-UHFFFAOYSA-N 0 0 239.181 2.597 50 0 BFAARN O=C(Nc1cnc2ccccc2c1)c1cccnc1 ZINC000000190637 182391949 /nfs/dbraw/zinc/39/19/49/182391949.db2.gz KXURZPIILZXOIW-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 aggregator BFAARN O=C(Nc1cccnc1)N1CCc2ccccc21 ZINC000009379131 182382639 /nfs/dbraw/zinc/38/26/39/182382639.db2.gz ODXHNGJYIWHPAG-UHFFFAOYSA-N 0 0 239.278 2.676 50 0 in-vivo BFAARN O=C(Nc1cccnc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000000140085 182383789 /nfs/dbraw/zinc/38/37/89/182383789.db2.gz WTOILWVPRTVEAN-KGLIPLIRSA-N 0 0 238.290 2.824 50 0 BFAARN O=C(Nc1cccnc1)OC1CCCCC1 ZINC000000067690 182384071 /nfs/dbraw/zinc/38/40/71/182384071.db2.gz NHAGYVHBUDTDHZ-UHFFFAOYSA-N 0 0 220.272 2.963 50 0 BFAARN O=C(Nc1cccnc1)[C@@H]1CC12CCCC2 ZINC000020780641 182384279 /nfs/dbraw/zinc/38/42/79/182384279.db2.gz RZDOLANVULRPPR-NSHDSACASA-N 0 0 216.284 2.600 50 0 BFAARN O=C(Nc1cccnc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000140075 182384314 /nfs/dbraw/zinc/38/43/14/182384314.db2.gz WTOILWVPRTVEAN-ZIAGYGMSSA-N 0 0 238.290 2.824 50 0 BFAARN O=C(Nc1ccn2nccc2c1)c1ccsc1 ZINC000217956315 182384864 /nfs/dbraw/zinc/38/48/64/182384864.db2.gz BKYMBBUNRFLYRK-UHFFFAOYSA-N 0 0 243.291 2.648 50 0 BFAARN O=C(Nc1ccncc1)c1c(F)cccc1F ZINC000001054680 182386671 /nfs/dbraw/zinc/38/66/71/182386671.db2.gz VLBULEGEZPKUMX-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1ccon1)c1ccccc1Cl ZINC000000474332 182388717 /nfs/dbraw/zinc/38/87/17/182388717.db2.gz FQVMJSWTIOCXHT-UHFFFAOYSA-N 0 0 222.631 2.580 50 0 BFAARN O=C(Nc1nc2ccccc2s1)c1ccno1 ZINC000009625035 182398456 /nfs/dbraw/zinc/39/84/56/182398456.db2.gz CKONTJVLAOIAEP-UHFFFAOYSA-N 0 0 245.263 2.537 50 0 BFAARN O=C(Nc1cnns1)c1ccc(Cl)s1 ZINC000170087554 182395775 /nfs/dbraw/zinc/39/57/75/182395775.db2.gz SWISYVZAHXXMFU-UHFFFAOYSA-N 0 0 245.716 2.505 50 0 BFAARN CCOC(=O)C(C)(C)c1ccc(F)cc1 ZINC000052233137 170188512 /nfs/dbraw/zinc/18/85/12/170188512.db2.gz AZIDQFWQOZRJFX-UHFFFAOYSA-N 0 0 210.248 2.666 50 0 BFAARN CCOC(=O)CCC(=O)c1cccc(C)c1 ZINC000002378877 170198567 /nfs/dbraw/zinc/19/85/67/170198567.db2.gz CSHOFKBGGWKKCW-UHFFFAOYSA-N 0 0 220.268 2.521 50 0 BFAARN O=C([O-])c1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000000258682 182566033 /nfs/dbraw/zinc/56/60/33/182566033.db2.gz XRCNKDDGDMDMDE-UHFFFAOYSA-N 0 0 241.290 2.675 50 0 in-vitro BFAARN O=C(OCC1CCC1)c1scnc1Cl ZINC000096442568 182602198 /nfs/dbraw/zinc/60/21/98/182602198.db2.gz HFBLJAVTLMUUAS-UHFFFAOYSA-N 0 0 231.704 2.753 50 0 BFAARN O=C(Oc1ccc(O)cc1)c1ccccc1 ZINC000000361759 182609067 /nfs/dbraw/zinc/60/90/67/182609067.db2.gz JFAXJRJMFOACBO-UHFFFAOYSA-N 0 0 214.220 2.611 50 0 BFAARN O=C(c1ccc(Cl)nc1)N1CCCCCC1 ZINC000003296447 182659829 /nfs/dbraw/zinc/65/98/29/182659829.db2.gz XRUSOMUVFCDBRN-UHFFFAOYSA-N 0 0 238.718 2.751 50 0 BFAARN O=C(c1cccc2cc[nH]c21)N1CCCCC1 ZINC000082301258 182675075 /nfs/dbraw/zinc/67/50/75/182675075.db2.gz NGEFVWHYXNYTFS-UHFFFAOYSA-N 0 0 228.295 2.794 50 0 BFAARN O=C1CCOc2cc(C(F)(F)F)ccc21 ZINC000016158994 182744650 /nfs/dbraw/zinc/74/46/50/182744650.db2.gz BDGGJAUEQDZWRC-UHFFFAOYSA-N 0 0 216.158 2.671 50 0 BFAARN O=C1CCOc2ccc3c(c21)CCCC3 ZINC000045027506 182744779 /nfs/dbraw/zinc/74/47/79/182744779.db2.gz BSHFNMRQILQYJH-UHFFFAOYSA-N 0 0 202.253 2.531 50 0 BFAARN O=C1CCSc2cc(F)c(F)cc21 ZINC000037380937 182745627 /nfs/dbraw/zinc/74/56/27/182745627.db2.gz ZKHRMJIMQAGHPD-UHFFFAOYSA-N 0 0 200.209 2.643 50 0 BFAARN O=C1CS[C@H](c2cccc(Cl)c2Cl)N1 ZINC000000291423 182771468 /nfs/dbraw/zinc/77/14/68/182771468.db2.gz BLCWANIQKOBJEM-SECBINFHSA-N 0 0 248.134 2.855 50 0 BFAARN O=C1CS[C@@H](c2ccccc2F)N1C1CC1 ZINC000004218394 182772051 /nfs/dbraw/zinc/77/20/51/182772051.db2.gz MYVFNDBAEFQSQE-LBPRGKRZSA-N 0 0 237.299 2.562 50 0 BFAARN O=C1CCc2ccc(C(F)(F)F)cc2N1 ZINC000140263374 182757454 /nfs/dbraw/zinc/75/74/54/182757454.db2.gz BXFVUNFYULIQLT-UHFFFAOYSA-N 0 0 215.174 2.590 50 0 BFAARN O=C1N[C@@H](c2cccc(F)c2)Nc2ccccc21 ZINC000009378736 182817997 /nfs/dbraw/zinc/81/79/97/182817997.db2.gz XSKYLOSGIZCDLK-ZDUSSCGKSA-N 0 0 242.253 2.680 50 0 BFAARN O=C1N[C@H](c2ccccc2)[C@H](c2ccccc2)N1 ZINC000017993140 182819553 /nfs/dbraw/zinc/81/95/53/182819553.db2.gz MLAJDFOBMYBISF-OKILXGFUSA-N 0 0 238.290 2.782 50 0 BFAARN O=C1N[C@H](C2CCCCC2)Nc2ccccc21 ZINC000000101947 182820102 /nfs/dbraw/zinc/82/01/02/182820102.db2.gz SSILWQXUCHXMTP-CYBMUJFWSA-N 0 0 230.311 2.748 50 0 BFAARN O=C1NC2(CCCCCC2)N=C1c1ccccc1 ZINC000006818732 182796682 /nfs/dbraw/zinc/79/66/82/182796682.db2.gz UGVRLNKXQRVGDB-UHFFFAOYSA-N 0 0 242.322 2.656 50 0 BFAARN O=C1O[C@H](NCc2ccccc2)c2ccccc21 ZINC000027662397 182837358 /nfs/dbraw/zinc/83/73/58/182837358.db2.gz SXRNXWZOQUSCJD-AWEZNQCLSA-N 0 0 239.274 2.645 50 0 BFAARN O=C1[C@@H](SCc2ccccc2)CCN1C1CC1 ZINC000361164652 182838335 /nfs/dbraw/zinc/83/83/35/182838335.db2.gz RZBWNJCXQFFCDZ-ZDUSSCGKSA-N 0 0 247.363 2.683 50 0 BFAARN O=[S@](NC1CCCCC1)c1ccccc1 ZINC000005490230 182967832 /nfs/dbraw/zinc/96/78/32/182967832.db2.gz ZTOMSORUDLSEGQ-OAHLLOKOSA-N 0 0 223.341 2.632 50 0 BFAARN O=c1ccccn1Cc1ccc(F)cc1Cl ZINC000061111269 183001926 /nfs/dbraw/zinc/00/19/26/183001926.db2.gz XBASSHOPLFBSFU-UHFFFAOYSA-N 0 0 237.661 2.689 50 0 BFAARN O=c1ccccn1C/C=C\c1ccccc1 ZINC000109670599 183002919 /nfs/dbraw/zinc/00/29/19/183002919.db2.gz AQYKGSFQMIIZGF-TWGQIWQCSA-N 0 0 211.264 2.562 50 0 BFAARN O=c1oc(-c2ccccc2)nc2ccsc21 ZINC000001399278 183011576 /nfs/dbraw/zinc/01/15/76/183011576.db2.gz DWKOESBNQVDIFB-UHFFFAOYSA-N 0 0 229.260 2.917 50 0 BFAARN O=c1oc(-c2ccc(F)cc2)nc2ccccc21 ZINC000000097122 183011659 /nfs/dbraw/zinc/01/16/59/183011659.db2.gz FWPIOVHFUGZTPA-UHFFFAOYSA-N 0 0 241.221 2.994 50 0 BFAARN O=C1C[C@@H](c2cccc(F)c2)c2c[nH]nc2N1 ZINC000031809128 183026489 /nfs/dbraw/zinc/02/64/89/183026489.db2.gz WSZHWYIMNDGGST-VIFPVBQESA-N 0 0 231.230 2.672 50 0 BFAARN O=C1C[C@H](c2c(F)cccc2F)c2c[nH]nc2N1 ZINC000020745795 183026629 /nfs/dbraw/zinc/02/66/29/183026629.db2.gz DLGQTZPIINOLRL-LURJTMIESA-N 0 0 249.220 2.812 50 0 BFAARN OC1(Cn2cnc3ccccc32)CCCCC1 ZINC000071824975 183021537 /nfs/dbraw/zinc/02/15/37/183021537.db2.gz OBCXOUMLQHHWEQ-UHFFFAOYSA-N 0 0 230.311 2.732 50 0 BFAARN OCC1(c2ccc(Br)cc2)CCC1 ZINC000081991170 183039262 /nfs/dbraw/zinc/03/92/62/183039262.db2.gz QOVXGMUWKJOYQF-UHFFFAOYSA-N 0 0 241.128 2.863 50 0 BFAARN OCCSc1ccnc2cc(Cl)ccc21 ZINC000035082336 183089778 /nfs/dbraw/zinc/08/97/78/183089778.db2.gz BYMMHXKKRCODPE-UHFFFAOYSA-N 0 0 239.727 2.973 50 0 BFAARN CCCC[C@H](CC)[C@H](O)[C@H](C)[C@@H](C)O ZINC000105076228 169000865 /nfs/dbraw/zinc/00/08/65/169000865.db2.gz LJGRJTMTDBCJEG-WISYIIOYSA-N 0 0 202.338 2.581 50 0 BFAARN CCCCc1ccc(NC(=O)CC(C)=O)cc1 ZINC000002485755 169020623 /nfs/dbraw/zinc/02/06/23/169020623.db2.gz TUVTWEIYKNQNKS-UHFFFAOYSA-N 0 0 233.311 2.947 50 0 BFAARN CCCCc1nc2[nH]nc(N)c2c2c1CCCC2 ZINC000004102581 169027298 /nfs/dbraw/zinc/02/72/98/169027298.db2.gz BSSGOMQVTAQGKE-UHFFFAOYSA-N 0 0 244.342 2.762 50 0 BFAARN CCCCc1nc2cc(C(=O)OC)ccc2o1 ZINC000044713470 169028246 /nfs/dbraw/zinc/02/82/46/169028246.db2.gz OCDAYCZSVYVWSD-UHFFFAOYSA-N 0 0 233.267 2.957 50 0 BFAARN CCCCn1cnc2cc(C(=O)OC)ccc21 ZINC000095496062 169036456 /nfs/dbraw/zinc/03/64/56/169036456.db2.gz HWGYDWBVCLBXRF-UHFFFAOYSA-N 0 0 232.283 2.623 50 0 BFAARN CCCCn1sc2ccccc2c1=O ZINC000033978730 169041143 /nfs/dbraw/zinc/04/11/43/169041143.db2.gz LUYIHWDYPAZCNN-UHFFFAOYSA-N 0 0 207.298 2.863 50 0 BFAARN OCc1c(-c2ccccc2)nc2sccn12 ZINC000001104926 183159348 /nfs/dbraw/zinc/15/93/48/183159348.db2.gz AGNXXFZBPOCOPO-UHFFFAOYSA-N 0 0 230.292 2.555 50 0 BFAARN OCc1ccc(C(F)(F)F)c(Cl)c1F ZINC000096029418 183162460 /nfs/dbraw/zinc/16/24/60/183162460.db2.gz QIXBTNLECKKJRT-UHFFFAOYSA-N 0 0 228.572 2.990 50 0 BFAARN OCc1ccc(Cl)cc1C(F)(F)F ZINC000002527762 183164710 /nfs/dbraw/zinc/16/47/10/183164710.db2.gz OYVUJDHCOIJRDO-UHFFFAOYSA-N 0 0 210.582 2.851 50 0 BFAARN CCCN(C(=O)c1ccccc1N)C(C)C ZINC000037095451 169047834 /nfs/dbraw/zinc/04/78/34/169047834.db2.gz JINXZKTWMREOOQ-UHFFFAOYSA-N 0 0 220.316 2.529 50 0 BFAARN OCc1ccc(OCc2ccccc2)c(Cl)n1 ZINC000040564662 183166335 /nfs/dbraw/zinc/16/63/35/183166335.db2.gz NFQCWYRJDVHJDP-UHFFFAOYSA-N 0 0 249.697 2.806 50 0 BFAARN OCc1cccc(NCCc2ccccc2F)c1 ZINC000191943555 183167376 /nfs/dbraw/zinc/16/73/76/183167376.db2.gz YZZRFJXFYLHAPA-UHFFFAOYSA-N 0 0 245.297 2.973 50 0 BFAARN OCc1ccccc1OCc1ccccc1F ZINC000000473451 183168575 /nfs/dbraw/zinc/16/85/75/183168575.db2.gz MNGSMTRKDFCUNV-UHFFFAOYSA-N 0 0 232.254 2.897 50 0 BFAARN OCc1nc(-c2ccc(F)cc2)n2ccccc12 ZINC000012249758 183170436 /nfs/dbraw/zinc/17/04/36/183170436.db2.gz IKYPXGMBPKHYLV-UHFFFAOYSA-N 0 0 242.253 2.633 50 0 BFAARN OCc1sccc1OCc1ccccc1 ZINC000040448088 183172044 /nfs/dbraw/zinc/17/20/44/183172044.db2.gz FMDUWSQUXHNLCU-UHFFFAOYSA-N 0 0 220.293 2.819 50 0 BFAARN CCCN(C)C(=S)Nc1cccc(OC)c1 ZINC000063565117 169065900 /nfs/dbraw/zinc/06/59/00/169065900.db2.gz OLTZCGUCSHRTBV-UHFFFAOYSA-N 0 0 238.356 2.734 50 0 BFAARN O[C@H]1CCCCCCCCCC[C@@H]1O ZINC000004773244 183231117 /nfs/dbraw/zinc/23/11/17/183231117.db2.gz HAMFVYJFVXTJCJ-RYUDHWBXSA-N 0 0 200.322 2.623 50 0 BFAARN CCCN(C=O)C(=O)Nc1ccc(Cl)cc1 ZINC000000400484 169091412 /nfs/dbraw/zinc/09/14/12/169091412.db2.gz ASTQZYJQGBIOIV-UHFFFAOYSA-N 0 0 240.690 2.740 50 0 BFAARN O[C@@H]1Cc2ccccc2O[C@@H]1c1ccccc1 ZINC000030729434 183212956 /nfs/dbraw/zinc/21/29/56/183212956.db2.gz OEIJRRGCTVHYTH-UKRRQHHQSA-N 0 0 226.275 2.724 50 0 BFAARN O[C@@H]1c2ccccc2[C@H]2[C@@H]1c1ccccc1[C@H]2O ZINC000247778734 183214272 /nfs/dbraw/zinc/21/42/72/183214272.db2.gz ZHODMXFAYOBKEZ-CAOSSQGBSA-N 0 0 238.286 2.648 50 0 BFAARN O=c1cc(-c2cccc3ccccc32)[nH][nH]1 ZINC000000053827 183254950 /nfs/dbraw/zinc/25/49/50/183254950.db2.gz IJLXVKPGJDODPJ-UHFFFAOYSA-N 0 0 210.236 2.936 50 0 BFAARN O[C@]1(c2ccccc2)CCOc2ccccc21 ZINC000000400326 183251299 /nfs/dbraw/zinc/25/12/99/183251299.db2.gz PKMBLSGNHNQTPT-HNNXBMFYSA-N 0 0 226.275 2.705 50 0 BFAARN Oc1ccc(-c2ccc(O)c(F)c2)cc1 ZINC000065339956 183264894 /nfs/dbraw/zinc/26/48/94/183264894.db2.gz QVQNAAFDYYJACI-UHFFFAOYSA-N 0 0 204.200 2.904 50 0 BFAARN Oc1ccc(-c2noc(C3CCC3)n2)cc1 ZINC000034956047 183266096 /nfs/dbraw/zinc/26/60/96/183266096.db2.gz MTDJBPHHGRVOQL-UHFFFAOYSA-N 0 0 216.240 2.710 50 0 BFAARN CCCN(CCC)Cc1nnsc1Cl ZINC000035164955 169150684 /nfs/dbraw/zinc/15/06/84/169150684.db2.gz HNEYFQBVZLQDCO-UHFFFAOYSA-N 0 0 233.768 2.814 50 0 BFAARN O=c1ccc(Br)c2[nH]cccc1-2 ZINC000098180193 183267939 /nfs/dbraw/zinc/26/79/39/183267939.db2.gz PQDUEAPSAXAQOY-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Oc1ccc(Cc2ccc(O)cc2)cc1 ZINC000000136152 183272337 /nfs/dbraw/zinc/27/23/37/183272337.db2.gz PXKLMJQFEQBVLD-UHFFFAOYSA-N 0 0 200.237 2.689 50 0 biogenic,in-vitro BFAARN Oc1ccc(Oc2ccc(O)cc2)cc1 ZINC000000394643 183277309 /nfs/dbraw/zinc/27/73/09/183277309.db2.gz NZGQHKSLKRFZFL-UHFFFAOYSA-N 0 0 202.209 2.890 50 0 BFAARN Oc1ccc(OCc2ccccc2)cc1 ZINC000000001748 183277492 /nfs/dbraw/zinc/27/74/92/183277492.db2.gz VYQNWZOUAUKGHI-UHFFFAOYSA-N 0 0 200.237 2.971 50 0 world BFAARN Oc1cc(Cl)cc(OC(F)(F)F)c1 ZINC000038529965 183258876 /nfs/dbraw/zinc/25/88/76/183258876.db2.gz GDQVMGRMDBOXLX-UHFFFAOYSA-N 0 0 212.554 2.944 50 0 BFAARN O=c1cc2cccc(Br)c2c[nH]1 ZINC000031777163 183263009 /nfs/dbraw/zinc/26/30/09/183263009.db2.gz IVDPIQOKPLLJPF-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN O=c1ccc2ccc[nH]c-2c1Br ZINC000040544577 183284834 /nfs/dbraw/zinc/28/48/34/183284834.db2.gz ACQSKLVTXZNXGL-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN [O-]c1ccc[n+](Cc2c(F)cccc2Cl)c1 ZINC000007644107 183285864 /nfs/dbraw/zinc/28/58/64/183285864.db2.gz BFBKNFAWABZNCP-UHFFFAOYSA-O 0 0 238.669 2.521 50 0 BFAARN Oc1ccc2ncc(Br)cc2c1F ZINC000098213233 183286810 /nfs/dbraw/zinc/28/68/10/183286810.db2.gz RSKALZMTGBDQOA-UHFFFAOYSA-N 0 0 242.047 2.842 50 0 BFAARN Oc1cccc2ccc(Br)nc12 ZINC000001856925 183298386 /nfs/dbraw/zinc/29/83/86/183298386.db2.gz KPRKBBMEWFPQDJ-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Oc1ccccc1-c1cc[nH]c(=S)n1 ZINC000006059909 183298591 /nfs/dbraw/zinc/29/85/91/183298591.db2.gz VEJSONUNEJJSPW-UHFFFAOYSA-N 0 0 204.254 2.512 50 0 BFAARN Oc1ccccc1OC[C@H](O)c1ccccc1 ZINC000003190065 183304284 /nfs/dbraw/zinc/30/42/84/183304284.db2.gz GPCWYPVIFBLEET-ZDUSSCGKSA-N 0 0 230.263 2.505 50 0 BFAARN Oc1cnc2ccccc2c1Br ZINC000019801017 183305050 /nfs/dbraw/zinc/30/50/50/183305050.db2.gz BJEMWAKSVKPWBC-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN CCCN1c2ccccc2N[C@H](C)CC1=O ZINC000015671182 169184318 /nfs/dbraw/zinc/18/43/18/169184318.db2.gz ULOICMJROFVXJR-SNVBAGLBSA-N 0 0 218.300 2.634 50 0 BFAARN c1c[nH]c(CNc2ccc3scnc3c2)n1 ZINC000192256987 183327970 /nfs/dbraw/zinc/32/79/70/183327970.db2.gz DBSWMYOOXYWVQD-UHFFFAOYSA-N 0 0 230.296 2.632 50 0 BFAARN O=c1[nH]n(-c2ccc(Cl)cc2)c2ncccc12 ZINC000001397091 183309060 /nfs/dbraw/zinc/30/90/60/183309060.db2.gz ROCUELYIKKKNDL-UHFFFAOYSA-N 0 0 245.669 2.780 50 0 BFAARN O=C1N=NC(c2ccc(Cl)cc2Cl)O1 ZINC000034406345 183309093 /nfs/dbraw/zinc/30/90/93/183309093.db2.gz YXTDMWXZZFKFHI-UHFFFAOYSA-N 0 0 231.038 2.749 50 0 BFAARN O=c1[nH]ccc2ccc(Br)cc21 ZINC000012360025 183309300 /nfs/dbraw/zinc/30/93/00/183309300.db2.gz DSOKREQUHLPVFR-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN S=C(NC1CCCC1)NC1CCCCC1 ZINC000000098565 183310914 /nfs/dbraw/zinc/31/09/14/183310914.db2.gz NYXVQBLQJVFNMU-UHFFFAOYSA-N 0 0 226.389 2.726 50 0 BFAARN S=C(NCc1ccccc1)N1CCCCCC1 ZINC000000362874 183310927 /nfs/dbraw/zinc/31/09/27/183310927.db2.gz VAZIKJHCJGAUBK-UHFFFAOYSA-N 0 0 248.395 2.937 50 0 BFAARN S=C(NCC1CCCCC1)Nc1cccnc1 ZINC000000112371 183311533 /nfs/dbraw/zinc/31/15/33/183311533.db2.gz WPJMQPDQKNHQOS-UHFFFAOYSA-N 0 0 249.383 2.948 50 0 BFAARN S=C(Nc1cccnc1)NC1CCCCC1 ZINC000000111017 183312089 /nfs/dbraw/zinc/31/20/89/183312089.db2.gz FQAPHNWUOFBPLU-UHFFFAOYSA-N 0 0 235.356 2.701 50 0 BFAARN CCCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004725372 169213504 /nfs/dbraw/zinc/21/35/04/169213504.db2.gz BWUDAHKOSMMQGI-UHFFFAOYSA-N 0 0 221.344 2.729 50 0 BFAARN CCCNC(=O)CCc1ccnc2ccccc12 ZINC000078170055 169218051 /nfs/dbraw/zinc/21/80/51/169218051.db2.gz KGCBOKGQGVRUQW-UHFFFAOYSA-N 0 0 242.322 2.694 50 0 BFAARN CCCNC(=O)N1CCn2cccc2[C@H]1C(C)C ZINC000009528251 169235241 /nfs/dbraw/zinc/23/52/41/169235241.db2.gz ATILTENEZPAOIF-CYBMUJFWSA-N 0 0 249.358 2.620 50 0 BFAARN CCCNC(=O)NCc1ccc(Cl)cc1 ZINC000023584907 169237182 /nfs/dbraw/zinc/23/71/82/169237182.db2.gz JMIPKQNEYQOIJZ-UHFFFAOYSA-N 0 0 226.707 2.549 50 0 BFAARN CCCNC(=O)Nc1cccc(Cl)c1 ZINC000001701534 169239823 /nfs/dbraw/zinc/23/98/23/169239823.db2.gz FWSWKRZLBXDXIO-UHFFFAOYSA-N 0 0 212.680 2.872 50 0 BFAARN c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000032593558 183379752 /nfs/dbraw/zinc/37/97/52/183379752.db2.gz RBDMPGSEXGXSNS-UHFFFAOYSA-N 0 0 225.295 2.744 50 0 BFAARN c1nncn1-c1ccccc1-c1ccccc1 ZINC000065395150 183380591 /nfs/dbraw/zinc/38/05/91/183380591.db2.gz XAWXZBMZBYYBLO-UHFFFAOYSA-N 0 0 221.263 2.934 50 0 BFAARN c1c(-c2ccccc2)nc2n1CCS2 ZINC000000058362 183381294 /nfs/dbraw/zinc/38/12/94/183381294.db2.gz ZUSMDKHVRFBRNJ-UHFFFAOYSA-N 0 0 202.282 2.656 50 0 BFAARN c1ccc(-c2nc([C@@H]3CCCCCN3)no2)cc1 ZINC000095348338 183382365 /nfs/dbraw/zinc/38/23/65/183382365.db2.gz LPZDBSZDXBVBTQ-LBPRGKRZSA-N 0 0 243.310 2.941 50 0 BFAARN c1ccc(-c2nnc(-c3cccnc3)o2)cc1 ZINC000000177530 183383248 /nfs/dbraw/zinc/38/32/48/183383248.db2.gz DLFKLZJZRSRZPP-UHFFFAOYSA-N 0 0 223.235 2.799 50 0 BFAARN c1nc(-c2ccccc2)c(-c2cncnc2)[nH]1 ZINC000065396005 183383286 /nfs/dbraw/zinc/38/32/86/183383286.db2.gz SRAZWDSVZZCXKU-UHFFFAOYSA-N 0 0 222.251 2.534 50 0 BFAARN c1nnc(-c2ccccc2OCC2CCC2)o1 ZINC000096493907 183384445 /nfs/dbraw/zinc/38/44/45/183384445.db2.gz QHSCVCXCURDMCI-UHFFFAOYSA-N 0 0 230.267 2.916 50 0 BFAARN c1ccc(-c2nnn(C3CCCCC3)n2)cc1 ZINC000015773496 183384832 /nfs/dbraw/zinc/38/48/32/183384832.db2.gz RBURPPYVKCKFBK-UHFFFAOYSA-N 0 0 228.299 2.845 50 0 BFAARN CCCNC(=O)c1cc2ccc(F)cc2nc1C ZINC000032856045 169250184 /nfs/dbraw/zinc/25/01/84/169250184.db2.gz IKNGZNJJXFJRDH-UHFFFAOYSA-N 0 0 246.285 2.822 50 0 BFAARN CCCNC(=O)c1cc(C)nc2ccc(C)cc21 ZINC000032962612 169250369 /nfs/dbraw/zinc/25/03/69/169250369.db2.gz UGYLLDSGSGGKLF-UHFFFAOYSA-N 0 0 242.322 2.991 50 0 BFAARN CCCNC(=O)c1ccc(OCC)c(Cl)c1 ZINC000059400308 169251314 /nfs/dbraw/zinc/25/13/14/169251314.db2.gz YZRUIVKYWNPZFQ-UHFFFAOYSA-N 0 0 241.718 2.879 50 0 BFAARN CCCNC(=O)c1ccccc1-c1cccnc1 ZINC000032582094 169252648 /nfs/dbraw/zinc/25/26/48/169252648.db2.gz CJLXOAVEMLYZKC-UHFFFAOYSA-N 0 0 240.306 2.888 50 0 BFAARN c1cc2n(c1)CCN=C2Cc1ccccc1 ZINC000002465850 183390321 /nfs/dbraw/zinc/39/03/21/183390321.db2.gz IMFWGCGNLQTLEP-UHFFFAOYSA-N 0 0 210.280 2.534 50 0 BFAARN CCCOc1cc(Cl)c(C=O)cc1OC ZINC000002776149 169314580 /nfs/dbraw/zinc/31/45/80/169314580.db2.gz VCEIJWMWXADXLH-UHFFFAOYSA-N 0 0 228.675 2.950 50 0 BFAARN CCCOc1ccc(C(=O)Nc2ccon2)cc1 ZINC000013746928 169317068 /nfs/dbraw/zinc/31/70/68/169317068.db2.gz AVJJLEJVTQETMJ-UHFFFAOYSA-N 0 0 246.266 2.716 50 0 BFAARN CCCNc1onc(C)c1-c1cc(C)no1 ZINC000071774287 169296889 /nfs/dbraw/zinc/29/68/89/169296889.db2.gz CJIZMOQYLNIDME-UHFFFAOYSA-N 0 0 221.260 2.768 50 0 BFAARN CCCSc1ncc(Br)cn1 ZINC000040456714 169341903 /nfs/dbraw/zinc/34/19/03/169341903.db2.gz REVQSUAMCUMXGQ-UHFFFAOYSA-N 0 0 233.134 2.741 50 0 BFAARN CCCSc1nnc(SCCC)n1C ZINC000328592679 169342104 /nfs/dbraw/zinc/34/21/04/169342104.db2.gz FCDQECRDBPLALZ-UHFFFAOYSA-N 0 0 231.390 2.819 50 0 BFAARN c1ccc2c(c1)N[C@@H]([C@@H]1Nc3ccccc3O1)O2 ZINC000000135843 183451199 /nfs/dbraw/zinc/45/11/99/183451199.db2.gz JLEHJOWNCWUHER-ZIAGYGMSSA-N 0 0 240.262 2.648 50 0 BFAARN c1cnc(N[C@H]2CCOC3(CCCCC3)C2)cn1 ZINC000095970859 183483140 /nfs/dbraw/zinc/48/31/40/183483140.db2.gz SDJDMBHDEXNYNC-LBPRGKRZSA-N 0 0 247.342 2.770 50 0 BFAARN CCC[C@@H](C)NC(=O)c1ccc(NC(C)=O)cc1 ZINC000000030375 169369129 /nfs/dbraw/zinc/36/91/29/169369129.db2.gz ONDSPLWAURSXSA-SNVBAGLBSA-N 0 0 248.326 2.563 50 0 BFAARN CCC[C@@H](C)NC(=O)c1cccc(F)c1 ZINC000042141271 169369133 /nfs/dbraw/zinc/36/91/33/169369133.db2.gz ZMFXSLZCTHGXQQ-SECBINFHSA-N 0 0 209.264 2.744 50 0 BFAARN c1ccc2nc(Oc3cccnc3)cnc2c1 ZINC000041872973 183497889 /nfs/dbraw/zinc/49/78/89/183497889.db2.gz YXHXPLGJLBACLT-UHFFFAOYSA-N 0 0 223.235 2.817 50 0 BFAARN CCC[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000000456431 169471015 /nfs/dbraw/zinc/47/10/15/169471015.db2.gz SXNGFYCOKWTRKW-SRVKXCTJSA-N 0 0 211.349 2.927 50 0 BFAARN CCC[C@H](C)C(=O)N1CCCO[C@@H]2CCC[C@H]21 ZINC000230086741 169469861 /nfs/dbraw/zinc/46/98/61/169469861.db2.gz YYUZZXMHNICMID-YNEHKIRRSA-N 0 0 239.359 2.593 50 0 BFAARN CCC[C@H](C)NC(=O)Cc1cccs1 ZINC000005591508 169492322 /nfs/dbraw/zinc/49/23/22/169492322.db2.gz ZXPQCEHCWKUNSL-VIFPVBQESA-N 0 0 211.330 2.595 50 0 BFAARN CC(C)(C)OC(=O)N[C@@H]1CC=C(F)CC1 ZINC000039093859 166665171 /nfs/dbraw/zinc/66/51/71/166665171.db2.gz YFTMXYHCMSSHJJ-SECBINFHSA-N 0 0 215.268 2.917 50 0 BFAARN CCCc1nc(-c2ccc(F)cc2)no1 ZINC000015768362 169582079 /nfs/dbraw/zinc/58/20/79/169582079.db2.gz LYVHGAKCKRJSMG-UHFFFAOYSA-N 0 0 206.220 2.828 50 0 BFAARN CCCn1cc(C(=O)OC)c2ccccc21 ZINC000064177406 169617159 /nfs/dbraw/zinc/61/71/59/169617159.db2.gz QJSOSZVUPGFFKC-UHFFFAOYSA-N 0 0 217.268 2.838 50 0 BFAARN CCCn1ncnc1C(=O)c1ccc(Cl)cc1 ZINC000004655679 169626748 /nfs/dbraw/zinc/62/67/48/169626748.db2.gz OJAOQYCAJPCRJQ-UHFFFAOYSA-N 0 0 249.701 2.573 50 0 BFAARN CCN(C(=O)CCc1ccccc1F)C1CC1 ZINC000069348204 169634734 /nfs/dbraw/zinc/63/47/34/169634734.db2.gz CMWBKMTZLBZOPL-UHFFFAOYSA-N 0 0 235.302 2.769 50 0 BFAARN O=Cc1ccc(OC(=O)c2ccccc2)cc1 ZINC000000041171 383819709 /nfs/dbraw/zinc/81/97/09/383819709.db2.gz KYZWJGYDXCOKRS-UHFFFAOYSA-N 0 0 226.231 2.718 50 0 BFAARN COC(=O)c1c(N)scc1-c1ccccc1 ZINC000000052966 383819910 /nfs/dbraw/zinc/81/99/10/383819910.db2.gz KHNSKPUYBBZGLW-UHFFFAOYSA-N 0 0 233.292 2.784 50 0 BFAARN COC(=O)c1cc(F)c(Cl)cc1Cl ZINC000000056856 383821270 /nfs/dbraw/zinc/82/12/70/383821270.db2.gz DOGWJTCXQCCQBY-UHFFFAOYSA-N 0 0 223.030 2.919 50 0 BFAARN CC(=O)c1cccc(OC(F)(F)F)c1 ZINC000000164678 383839042 /nfs/dbraw/zinc/83/90/42/383839042.db2.gz UYHTUQHYGKAYJM-UHFFFAOYSA-N 0 0 204.147 2.788 50 0 BFAARN Nc1nnc(CCC2CCCCC2)s1 ZINC000000199466 383842011 /nfs/dbraw/zinc/84/20/11/383842011.db2.gz XXAAUXINWNGENV-UHFFFAOYSA-N 0 0 211.334 2.633 50 0 BFAARN Cc1ccc(C(=O)Nc2ccccc2N)cc1 ZINC000000225974 383844500 /nfs/dbraw/zinc/84/45/00/383844500.db2.gz LZURKGIPJGMWCA-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc(O)cc1F ZINC000066055057 383845101 /nfs/dbraw/zinc/84/51/01/383845101.db2.gz OFMBTCUVYCQPQI-UHFFFAOYSA-N 0 0 227.235 2.878 50 0 BFAARN CN(Cc1ccccc1)c1nsnc1Cl ZINC000035232106 383846415 /nfs/dbraw/zinc/84/64/15/383846415.db2.gz HQGSGZSUAILHDU-UHFFFAOYSA-N 0 0 239.731 2.828 50 0 BFAARN CCOc1c(C)cc(Br)cc1N ZINC000066140714 383850557 /nfs/dbraw/zinc/85/05/57/383850557.db2.gz SSICKDVKFUSOGF-UHFFFAOYSA-N 0 0 230.105 2.738 50 0 BFAARN CCc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000000317512 383853087 /nfs/dbraw/zinc/85/30/87/383853087.db2.gz HNCAMMDXUMSIQX-UHFFFAOYSA-N 0 0 235.327 2.543 50 0 BFAARN CCc1ccc(Oc2cc(C)nc(N)n2)cc1 ZINC000000353538 383856603 /nfs/dbraw/zinc/85/66/03/383856603.db2.gz NSVUJDXSGNZKSL-UHFFFAOYSA-N 0 0 229.283 2.722 50 0 BFAARN O=Cc1ccc(OCc2cscn2)cc1 ZINC000000337617 383856960 /nfs/dbraw/zinc/85/69/60/383856960.db2.gz LTBNVXWZLUHELL-UHFFFAOYSA-N 0 0 219.265 2.535 50 0 BFAARN CC(=O)c1cc(Br)c(F)cc1F ZINC000066325928 383857952 /nfs/dbraw/zinc/85/79/52/383857952.db2.gz KXZHDRBQPYKHKS-UHFFFAOYSA-N 0 0 235.027 2.930 50 0 BFAARN Cc1ccc(C(=O)Nc2ccc(F)cc2)o1 ZINC000000375942 383859471 /nfs/dbraw/zinc/85/94/71/383859471.db2.gz NHXAZSHTQSMJPR-UHFFFAOYSA-N 0 0 219.215 2.979 50 0 BFAARN Cc1ccc(OC(=O)c2ccncc2)c(C)c1 ZINC000000363915 383859798 /nfs/dbraw/zinc/85/97/98/383859798.db2.gz AFCCLBUREOJUEH-UHFFFAOYSA-N 0 0 227.263 2.918 50 0 BFAARN CCc1cccc(NC(=O)c2snnc2C)c1 ZINC000000385548 383861346 /nfs/dbraw/zinc/86/13/46/383861346.db2.gz RROJXZTZLOPVKZ-UHFFFAOYSA-N 0 0 247.323 2.661 50 0 BFAARN O=C1OCC[C@H]1Sc1ccc(Cl)cc1 ZINC000000386121 383861861 /nfs/dbraw/zinc/86/18/61/383861861.db2.gz RAZVFEJOZHRSAC-SECBINFHSA-N 0 0 228.700 2.748 50 0 BFAARN O=C1OCC[C@@H]1Sc1ccc(Cl)cc1 ZINC000000386120 383862435 /nfs/dbraw/zinc/86/24/35/383862435.db2.gz RAZVFEJOZHRSAC-VIFPVBQESA-N 0 0 228.700 2.748 50 0 BFAARN CC(C)CCOC(=O)c1ccccc1O ZINC000000394966 383864774 /nfs/dbraw/zinc/86/47/74/383864774.db2.gz PMGCQNGBLMMXEW-UHFFFAOYSA-N 0 0 208.257 2.595 50 0 endogenous,in-man BFAARN Cc1ccc(C(=O)Nc2ccccc2CO)cc1 ZINC000000446395 383869176 /nfs/dbraw/zinc/86/91/76/383869176.db2.gz FKTAXQHTXDMZQA-UHFFFAOYSA-N 0 0 241.290 2.740 50 0 BFAARN Cc1cc(C)cc(C(=O)NC2CCCC2)c1 ZINC000000496683 383871736 /nfs/dbraw/zinc/87/17/36/383871736.db2.gz RWACXSJJOITYTO-UHFFFAOYSA-N 0 0 217.312 2.976 50 0 BFAARN Cc1ccc(C)c(C(=O)NCc2ccco2)c1 ZINC000000514717 383875085 /nfs/dbraw/zinc/87/50/85/383875085.db2.gz CNPLVQAVKXETCP-UHFFFAOYSA-N 0 0 229.279 2.826 50 0 BFAARN Cc1ccc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000000611600 383877638 /nfs/dbraw/zinc/87/76/38/383877638.db2.gz DFDNXZXUIMJVLF-RYUDHWBXSA-N 0 0 249.379 2.780 50 0 BFAARN CCN(CC)c1ncnc2sccc21 ZINC000000115949 383830868 /nfs/dbraw/zinc/83/08/68/383830868.db2.gz TUFDCUHPGXLDSJ-UHFFFAOYSA-N 0 0 207.302 2.538 50 0 BFAARN O=C1O[C@H](c2ccccc2)c2ccccc21 ZINC000000133391 383830895 /nfs/dbraw/zinc/83/08/95/383830895.db2.gz SQFMIHCARVMICF-CYBMUJFWSA-N 0 0 210.232 2.946 50 0 biogenic BFAARN c1ccc2c(c1)ncnc2NC1CCCC1 ZINC000000151428 383833481 /nfs/dbraw/zinc/83/34/81/383833481.db2.gz JONLSKSSHXZUAI-UHFFFAOYSA-N 0 0 213.284 2.984 50 0 BFAARN O=C1N[C@H]([C@H]2CC=CCC2)Nc2ccccc21 ZINC000000150120 383834030 /nfs/dbraw/zinc/83/40/30/383834030.db2.gz KORVABRTGPOWDA-GXFFZTMASA-N 0 0 228.295 2.524 50 0 BFAARN O=C1Nc2ccccc2/C1=C/c1ccco1 ZINC000000136914 383834062 /nfs/dbraw/zinc/83/40/62/383834062.db2.gz PGZGBDVILWVGSF-FLIBITNWSA-N 0 0 211.220 2.772 50 0 BFAARN O=Cc1c(Br)[nH]c2ccccc12 ZINC000001616682 383912134 /nfs/dbraw/zinc/91/21/34/383912134.db2.gz WIRLVLFYTTULCM-UHFFFAOYSA-N 0 0 224.057 2.743 50 0 endogenous,in-man BFAARN CCC(CC)[C@@H](O)C[C@@H](O)CC(C)C ZINC000001655721 383917556 /nfs/dbraw/zinc/91/75/56/383917556.db2.gz MPURTQWGOYOLEZ-RYUDHWBXSA-N 0 0 202.338 2.581 50 0 BFAARN COC(=O)c1cc(Br)ccc1C ZINC000001764702 383935214 /nfs/dbraw/zinc/93/52/14/383935214.db2.gz FDCYLMYCHALQJR-UHFFFAOYSA-N 0 0 229.073 2.544 50 0 BFAARN Cc1noc(-c2ccc(Br)cc2)n1 ZINC000000988305 383885355 /nfs/dbraw/zinc/88/53/55/383885355.db2.gz AVXXUFMZRHQRTK-UHFFFAOYSA-N 0 0 239.072 2.808 50 0 BFAARN Cc1ccc(C(=O)Nc2ccc(Cl)cn2)o1 ZINC000001056538 383889263 /nfs/dbraw/zinc/88/92/63/383889263.db2.gz KSEXATZFRRMRQN-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN COC(=O)c1ccc(-c2cccc(CO)c2)cc1 ZINC000001256808 383891054 /nfs/dbraw/zinc/89/10/54/383891054.db2.gz AOLDHHIJNRNIEB-UHFFFAOYSA-N 0 0 242.274 2.633 50 0 BFAARN C[C@@H](NC(=O)C1CC1)c1cccc(Cl)c1 ZINC000050042675 383894301 /nfs/dbraw/zinc/89/43/01/383894301.db2.gz KTJRZYPZKBKMDE-MRVPVSSYSA-N 0 0 223.703 2.927 50 0 BFAARN CC(=O)c1ccc(C(=O)Nc2nccs2)cc1 ZINC000000192168 383894828 /nfs/dbraw/zinc/89/48/28/383894828.db2.gz FRKJLOMYTRZWLL-UHFFFAOYSA-N 0 0 246.291 2.598 50 0 BFAARN FC(F)CSc1nncc2ccccc21 ZINC000336481613 383980429 /nfs/dbraw/zinc/98/04/29/383980429.db2.gz JGZXMCGCOJIPID-UHFFFAOYSA-N 0 0 226.251 2.987 50 0 BFAARN C[C@H]1O[C@@H]2c3ccccc3C[C@H]2[C@@H](C)O1 ZINC000113455389 383986313 /nfs/dbraw/zinc/98/63/13/383986313.db2.gz SHWFPOIJJLMZKA-MNUQUWEESA-N 0 0 204.269 2.681 50 0 BFAARN Cc1ccc(C(=O)NCCCOC(C)C)cc1C ZINC000002874743 383989618 /nfs/dbraw/zinc/98/96/18/383989618.db2.gz FNTNTJQATRHVPN-UHFFFAOYSA-N 0 0 249.354 2.848 50 0 BFAARN CCCCNC(=O)c1ccc(Cl)cc1O ZINC000001846512 383939193 /nfs/dbraw/zinc/93/91/93/383939193.db2.gz ZGJHIFYEQJEUKA-UHFFFAOYSA-N 0 0 227.691 2.576 50 0 in-man BFAARN CCCCOC(=O)Nc1ccc2c(c1)OCO2 ZINC000001908398 383940778 /nfs/dbraw/zinc/94/07/78/383940778.db2.gz DBEHLLRESYVTFD-UHFFFAOYSA-N 0 0 237.255 2.764 50 0 BFAARN O=C1OCCC1=CNc1ccc(Cl)cc1 ZINC000002023921 383944368 /nfs/dbraw/zinc/94/43/68/383944368.db2.gz NAXALCDJYDKLJN-BQYQJAHWSA-N 0 0 223.659 2.583 50 0 BFAARN CCc1cc(N)ccc1Br ZINC000067794653 383947048 /nfs/dbraw/zinc/94/70/48/383947048.db2.gz KWQNNOZROOJVJB-UHFFFAOYSA-N 0 0 200.079 2.594 50 0 BFAARN Nc1cnn(Cc2ccc3ccccc3c2)c1 ZINC000067800353 383947934 /nfs/dbraw/zinc/94/79/34/383947934.db2.gz CWZXGPSTHQHMFI-UHFFFAOYSA-N 0 0 223.279 2.667 50 0 BFAARN c1cc2ncnc(OCc3ccccc3)c2[nH]1 ZINC000089223697 383951215 /nfs/dbraw/zinc/95/12/15/383951215.db2.gz IIONSNXRZMQUMO-UHFFFAOYSA-N 0 0 225.251 2.537 50 0 BFAARN COC(=O)c1c(Cl)cccc1Cl ZINC000002243825 383956135 /nfs/dbraw/zinc/95/61/35/383956135.db2.gz HEYGSGDIWJDORA-UHFFFAOYSA-N 0 0 205.040 2.780 50 0 BFAARN COC(=O)c1c(C)oc2c1C(=O)CC(C)(C)C2 ZINC000022126465 383956761 /nfs/dbraw/zinc/95/67/61/383956761.db2.gz UGFFSNCADAMKDT-UHFFFAOYSA-N 0 0 236.267 2.530 50 0 BFAARN COc1nccnc1-c1cccc2[nH]ccc21 ZINC000067983232 383964910 /nfs/dbraw/zinc/96/49/10/383964910.db2.gz LFZWAULBRWATDY-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN CCCCOc1ccc(OC(=O)NC)cc1 ZINC000071774157 384001243 /nfs/dbraw/zinc/00/12/43/384001243.db2.gz DDBBWBHJQVDNHM-UHFFFAOYSA-N 0 0 223.272 2.584 50 0 BFAARN O=C(CC(=O)c1ccccc1)Nc1ccccc1 ZINC000002504360 383966919 /nfs/dbraw/zinc/96/69/19/383966919.db2.gz XRZDIHADHZSFBB-UHFFFAOYSA-N 0 0 239.274 2.898 50 0 BFAARN COC(=O)[C@H](NC1CCCCC1)c1ccccc1 ZINC000002506015 383967369 /nfs/dbraw/zinc/96/73/69/383967369.db2.gz GIERMKQJVHUGLN-CQSZACIVSA-N 0 0 247.338 2.823 50 0 BFAARN COC(=O)c1ccc(C)cc1Br ZINC000002513849 383968732 /nfs/dbraw/zinc/96/87/32/383968732.db2.gz DJTUYAFJAGLQCK-UHFFFAOYSA-N 0 0 229.073 2.544 50 0 BFAARN COCc1ccccc1Br ZINC000002511692 383969102 /nfs/dbraw/zinc/96/91/02/383969102.db2.gz QFAZLCRHLRJNAW-UHFFFAOYSA-N 0 0 201.063 2.596 50 0 BFAARN CC(=O)n1nc(C(F)(F)F)cc1C(F)(F)F ZINC000002526329 383970569 /nfs/dbraw/zinc/97/05/69/383970569.db2.gz NVCMVWSRHPQCLU-UHFFFAOYSA-N 0 0 246.110 2.581 50 0 BFAARN CC(=O)c1ccc(Br)cc1F ZINC000002524871 383970939 /nfs/dbraw/zinc/97/09/39/383970939.db2.gz ASKFCSCYGAFWAB-UHFFFAOYSA-N 0 0 217.037 2.791 50 0 BFAARN FC(F)(F)c1cccnc1Br ZINC000002526212 383971814 /nfs/dbraw/zinc/97/18/14/383971814.db2.gz OFGSIPQYQUVVPL-UHFFFAOYSA-N 0 0 225.995 2.863 50 0 BFAARN O=Cc1ncc(C(F)(F)F)cc1Cl ZINC000002526220 383971938 /nfs/dbraw/zinc/97/19/38/383971938.db2.gz UANVTPLFKXDWHT-UHFFFAOYSA-N 0 0 209.554 2.566 50 0 BFAARN FC(F)(F)c1ccnc(Br)c1 ZINC000002526213 383972079 /nfs/dbraw/zinc/97/20/79/383972079.db2.gz WZVHLUMAQLUNTJ-UHFFFAOYSA-N 0 0 225.995 2.863 50 0 in-vitro BFAARN COC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000002539045 383973391 /nfs/dbraw/zinc/97/33/91/383973391.db2.gz WGAOEHZSJWVLBY-UHFFFAOYSA-N 0 0 209.632 2.608 50 0 BFAARN CCc1ccc(N)c(Br)c1 ZINC000002567829 383975290 /nfs/dbraw/zinc/97/52/90/383975290.db2.gz UNXYMQGCZRBOMI-UHFFFAOYSA-N 0 0 200.079 2.594 50 0 BFAARN Cc1[nH]ccc1C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000089536759 383976404 /nfs/dbraw/zinc/97/64/04/383976404.db2.gz KQJGJQVQFKVYOW-AAEUAGOBSA-N 0 0 232.327 2.728 50 0 BFAARN O=C(c1sccc1OC(F)F)N1CCCC1 ZINC000089885304 384004104 /nfs/dbraw/zinc/00/41/04/384004104.db2.gz GZAITKNIZZQKDG-UHFFFAOYSA-N 0 0 247.266 2.586 50 0 BFAARN O=C(c1ccoc1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000089885122 384004341 /nfs/dbraw/zinc/00/43/41/384004341.db2.gz CCODRBOBKCJIRQ-GHMZBOCLSA-N 0 0 219.284 2.542 50 0 BFAARN Cc1nnsc1C(=O)c1ccc(C)cc1C ZINC000071783112 384004192 /nfs/dbraw/zinc/00/41/92/384004192.db2.gz VWGMUUSQVSWLOV-UHFFFAOYSA-N 0 0 232.308 2.694 50 0 BFAARN CCCn1ncnc1-c1cccc(C(C)=O)c1 ZINC000304430507 384005457 /nfs/dbraw/zinc/00/54/57/384005457.db2.gz GFIVXPYCZRWTLP-UHFFFAOYSA-N 0 0 229.283 2.558 50 0 BFAARN COC(=O)c1ccc(C)c(NC(=O)C2CCC2)c1 ZINC000003517508 384015126 /nfs/dbraw/zinc/01/51/26/384015126.db2.gz HLQKIRUOGDLVRE-UHFFFAOYSA-N 0 0 247.294 2.520 50 0 BFAARN O=Cc1ccc(N2CCCC2)cc1Cl ZINC000004245488 384050783 /nfs/dbraw/zinc/05/07/83/384050783.db2.gz FKJKRWNFRHQBJQ-UHFFFAOYSA-N 0 0 209.676 2.753 50 0 BFAARN COC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000004261949 384052056 /nfs/dbraw/zinc/05/20/56/384052056.db2.gz QJOOIMSFFIUFKX-IYSWYEEDSA-N 0 0 223.099 2.751 50 0 BFAARN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccco1 ZINC000071894484 384033884 /nfs/dbraw/zinc/03/38/84/384033884.db2.gz WMIVYMCADBSEON-QMTHXVAHSA-N 0 0 241.290 2.943 50 0 BFAARN FC(F)(F)c1ccnn1-c1cccc(Cl)n1 ZINC000038537344 384085270 /nfs/dbraw/zinc/08/52/70/384085270.db2.gz OCZTUNUDTAJGPS-UHFFFAOYSA-N 0 0 247.607 2.940 50 0 BFAARN CC(=O)c1ccc(-n2cnc(C)c2)c(F)c1 ZINC000038540416 384086648 /nfs/dbraw/zinc/08/66/48/384086648.db2.gz YNGNQAPHYIQGAV-UHFFFAOYSA-N 0 0 218.231 2.522 50 0 BFAARN Cc1ccc(C(=O)NCCc2ccco2)cc1 ZINC000004783869 384079526 /nfs/dbraw/zinc/07/95/26/384079526.db2.gz FUYJSSAZQGOUHB-UHFFFAOYSA-N 0 0 229.279 2.561 50 0 BFAARN Cc1ccc(Br)c(C)c1N ZINC000039291175 384110613 /nfs/dbraw/zinc/11/06/13/384110613.db2.gz HRRMPGSFIAVSNM-UHFFFAOYSA-N 0 0 200.079 2.648 50 0 BFAARN c1nc(NCc2cccc3ccccc32)n[nH]1 ZINC000004997845 384094633 /nfs/dbraw/zinc/09/46/33/384094633.db2.gz MYBLZXNNTUOWKN-UHFFFAOYSA-N 0 0 224.267 2.570 50 0 BFAARN CC(C)(C)OC(=O)c1ccc(N)c(Cl)c1 ZINC000070602000 384125419 /nfs/dbraw/zinc/12/54/19/384125419.db2.gz SNKUZMHLUVIFAR-UHFFFAOYSA-N 0 0 227.691 2.878 50 0 BFAARN COC(=O)c1cnc(Cl)c(C(F)(F)F)c1 ZINC000091692238 384137726 /nfs/dbraw/zinc/13/77/26/384137726.db2.gz XSNQVMGVGAAMPU-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN O=Cc1cccc(OC(=O)Cc2ccccc2)c1 ZINC000005772997 384130664 /nfs/dbraw/zinc/13/06/64/384130664.db2.gz CIDIPODWGFARGS-UHFFFAOYSA-N 0 0 240.258 2.647 50 0 BFAARN Nc1cncc(CCOc2ccc(Cl)cc2)c1 ZINC000091820257 384147257 /nfs/dbraw/zinc/14/72/57/384147257.db2.gz LCVRLWICRDTONG-UHFFFAOYSA-N 0 0 248.713 2.939 50 0 BFAARN Nc1cc2c(cccc2C(F)(F)F)cn1 ZINC000091692355 384138435 /nfs/dbraw/zinc/13/84/35/384138435.db2.gz RPQYKUCAEHUBBL-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN C[C@@H](NC(=O)CC(F)(F)F)c1cccs1 ZINC000043072592 384145635 /nfs/dbraw/zinc/14/56/35/384145635.db2.gz KSPOMJBKUKCHRB-ZCFIWIBFSA-N 0 0 237.246 2.878 50 0 BFAARN c1ccc(Nc2ccc(N3CCCC3)nn2)cc1 ZINC000006702877 384162110 /nfs/dbraw/zinc/16/21/10/384162110.db2.gz QIIHVKQVNCDDGO-UHFFFAOYSA-N 0 0 240.310 2.820 50 0 BFAARN CCc1cccc(C)c1NC(=O)c1ccnn1C ZINC000006699104 384162813 /nfs/dbraw/zinc/16/28/13/384162813.db2.gz MUFCDSCQKORZKQ-UHFFFAOYSA-N 0 0 243.310 2.543 50 0 BFAARN CCCC(=O)NCCOC1CCCCCC1 ZINC000071911128 384163333 /nfs/dbraw/zinc/16/33/33/384163333.db2.gz LSYMRKHGACZLOW-UHFFFAOYSA-N 0 0 227.348 2.642 50 0 BFAARN Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCCO2)c1 ZINC000006731446 384165547 /nfs/dbraw/zinc/16/55/47/384165547.db2.gz JPYRABQDGGGWPQ-TZMCWYRMSA-N 0 0 247.338 2.660 50 0 BFAARN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCCO2)c1 ZINC000006731445 384165724 /nfs/dbraw/zinc/16/57/24/384165724.db2.gz JPYRABQDGGGWPQ-JSGCOSHPSA-N 0 0 247.338 2.660 50 0 BFAARN Cc1ccc(O[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000006845649 384169327 /nfs/dbraw/zinc/16/93/27/384169327.db2.gz RDNFVJADODBUEV-GFCCVEGCSA-N 0 0 247.338 2.821 50 0 BFAARN CCO[C@H](C)c1nccn1Cc1ncccc1C ZINC000097378364 384184839 /nfs/dbraw/zinc/18/48/39/384184839.db2.gz VOQUQDQMFBJECG-GFCCVEGCSA-N 0 0 245.326 2.732 50 0 BFAARN C[C@@H](c1cccnc1)N(C)Cc1cncs1 ZINC000097375243 384177104 /nfs/dbraw/zinc/17/71/04/384177104.db2.gz WJCJDEYMTZIJFA-JTQLQIEISA-N 0 0 233.340 2.731 50 0 BFAARN IC1=CCCCC1 ZINC000071773956 384177409 /nfs/dbraw/zinc/17/74/09/384177409.db2.gz CAROGICRCNKEOD-UHFFFAOYSA-N 0 0 208.042 2.879 50 0 BFAARN CCc1ccc(CN(C)Cc2cccnc2)o1 ZINC000097375259 384178093 /nfs/dbraw/zinc/17/80/93/384178093.db2.gz KHANVPCXRQEWDD-UHFFFAOYSA-N 0 0 230.311 2.869 50 0 BFAARN Cc1ncccc1CN(C)[C@H](C)c1cccnc1 ZINC000097375277 384178118 /nfs/dbraw/zinc/17/81/18/384178118.db2.gz QMCWOFRSCFDGCE-CYBMUJFWSA-N 0 0 241.338 2.978 50 0 BFAARN CC(C)(C)C[C@H]1CCCN1C(=S)NC1CC1 ZINC000060837195 384204270 /nfs/dbraw/zinc/20/42/70/384204270.db2.gz TVQHMBMHVIPWOK-LLVKDONJSA-N 0 0 240.416 2.924 50 0 BFAARN C[C@@H](O)Cc1ccc(Br)c(F)c1 ZINC000072305104 384205631 /nfs/dbraw/zinc/20/56/31/384205631.db2.gz XBTSZRSKEJIMAR-ZCFIWIBFSA-N 0 0 233.080 2.512 50 0 BFAARN CC(C)(C)OC(=O)Nc1c(F)cncc1F ZINC000072319660 384206292 /nfs/dbraw/zinc/20/62/92/384206292.db2.gz GNWNEMPHMVGLOJ-UHFFFAOYSA-N 0 0 230.214 2.707 50 0 BFAARN Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)o1 ZINC000002772584 384187610 /nfs/dbraw/zinc/18/76/10/384187610.db2.gz TWUALTHVBQUTBA-MWLCHTKSSA-N 0 0 221.300 2.897 50 0 BFAARN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NC(C)C)c1 ZINC000002773810 384187696 /nfs/dbraw/zinc/18/76/96/384187696.db2.gz QTEHVDGLFXCHPH-ZDUSSCGKSA-N 0 0 249.354 2.904 50 0 BFAARN CC[C@@H](NC(=O)C1CC1)c1ccccc1 ZINC000002765926 384188061 /nfs/dbraw/zinc/18/80/61/384188061.db2.gz MKLNLCLJYJQFQC-GFCCVEGCSA-N 0 0 203.285 2.664 50 0 BFAARN CC(=O)NC1(c2ccccc2)CCCC1 ZINC000041531606 384191440 /nfs/dbraw/zinc/19/14/40/384191440.db2.gz NXXCDPQDUSCZSV-UHFFFAOYSA-N 0 0 203.285 2.592 50 0 BFAARN Cc1nc(SCc2ccccc2F)n[nH]1 ZINC000008299424 384198894 /nfs/dbraw/zinc/19/88/94/384198894.db2.gz WURMAGFOQCJIKA-UHFFFAOYSA-N 0 0 223.276 2.545 50 0 BFAARN Cc1nc(Cl)nn1CCCc1ccccc1 ZINC000072324047 384208787 /nfs/dbraw/zinc/20/87/87/384208787.db2.gz GMWPFUPBRDAPRI-UHFFFAOYSA-N 0 0 235.718 2.873 50 0 BFAARN COC(=O)[C@@H](c1ccccc1O)C1CCCC1 ZINC000072482068 384222642 /nfs/dbraw/zinc/22/26/42/384222642.db2.gz FAGDYKOFDODHHZ-CYBMUJFWSA-N 0 0 234.295 2.839 50 0 BFAARN CC(C)(C)OC(=O)N1C(=O)C[C@@H]1C(C)(C)C ZINC000072481898 384223662 /nfs/dbraw/zinc/22/36/62/384223662.db2.gz HKIDIVDBXIMOMQ-MRVPVSSYSA-N 0 0 227.304 2.569 50 0 BFAARN CCOc1ccc(C(=O)NC2CC2)cc1Cl ZINC000072441690 384224302 /nfs/dbraw/zinc/22/43/02/384224302.db2.gz RBYUITVTOSLJCN-UHFFFAOYSA-N 0 0 239.702 2.631 50 0 BFAARN CC(C)(C)OC(=O)N1C(=O)C[C@H]1c1ccccc1 ZINC000072481903 384224318 /nfs/dbraw/zinc/22/43/18/384224318.db2.gz VIDZRGGALVURAK-NSHDSACASA-N 0 0 247.294 2.895 50 0 BFAARN CC(C)(C(=O)N[C@H]1CC=CCC1)C(F)F ZINC000336439533 384225456 /nfs/dbraw/zinc/22/54/56/384225456.db2.gz DSYYBPAFFZFYLB-QMMMGPOBSA-N 0 0 217.259 2.503 50 0 BFAARN Cc1noc(N)c1-c1ccc(Cl)cc1 ZINC000009303487 384242759 /nfs/dbraw/zinc/24/27/59/384242759.db2.gz UHWNZTCXHWOFSX-UHFFFAOYSA-N 0 0 208.648 2.886 50 0 BFAARN O=N[C@H]1Nc2c(cc(Cl)cc2Cl)C1=O ZINC000101163308 384258191 /nfs/dbraw/zinc/25/81/91/384258191.db2.gz HDJXIKRIECBEEO-MRVPVSSYSA-N 0 0 231.038 2.694 50 0 BFAARN Nc1nc(-c2ccco2)c(Br)s1 ZINC000073711099 384262104 /nfs/dbraw/zinc/26/21/04/384262104.db2.gz XRSXYAVIMYZFET-UHFFFAOYSA-N 0 0 245.101 2.748 50 0 BFAARN CC(C)c1cccc(CNC(=O)NCCF)c1 ZINC000408515551 384271803 /nfs/dbraw/zinc/27/18/03/384271803.db2.gz YPQHWAXAMITESM-UHFFFAOYSA-N 0 0 238.306 2.579 50 0 BFAARN Cc1ccc(O[C@H]2CCOC2)c(Cl)c1 ZINC000336614045 384242285 /nfs/dbraw/zinc/24/22/85/384242285.db2.gz VSEAIHZRSWXGEZ-VIFPVBQESA-N 0 0 212.676 2.816 50 0 BFAARN CCCCNC(=O)c1ccc(NC(=O)CC)cc1 ZINC000012138752 384307033 /nfs/dbraw/zinc/30/70/33/384307033.db2.gz SPTKDKOMRICFBT-UHFFFAOYSA-N 0 0 248.326 2.565 50 0 BFAARN CC(=O)c1sc(Nc2cccnc2)nc1C ZINC000012336563 384309967 /nfs/dbraw/zinc/30/99/67/384309967.db2.gz SPYVGOMXPCNTCG-UHFFFAOYSA-N 0 0 233.296 2.793 50 0 BFAARN O=C(CC1CCCCC1)NCc1ccco1 ZINC000000316988 384311858 /nfs/dbraw/zinc/31/18/58/384311858.db2.gz QGULOJSZHRUFEW-UHFFFAOYSA-N 0 0 221.300 2.866 50 0 BFAARN C[C@@H](NC(=O)Cc1ccccc1)C(C)(C)C ZINC000012381101 384316863 /nfs/dbraw/zinc/31/68/63/384316863.db2.gz OYTAYNCYRSCWOI-LLVKDONJSA-N 0 0 219.328 2.780 50 0 BFAARN Cc1noc(N)c1-c1ccccc1Cl ZINC000012372273 384317657 /nfs/dbraw/zinc/31/76/57/384317657.db2.gz SWCPSBUORKBJGH-UHFFFAOYSA-N 0 0 208.648 2.886 50 0 BFAARN COC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000044199512 384320757 /nfs/dbraw/zinc/32/07/57/384320757.db2.gz BXNCKBUAJFSEEI-UHFFFAOYSA-N 0 0 222.137 2.631 50 0 BFAARN CSC[C@H](C)NC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000097010496 384282666 /nfs/dbraw/zinc/28/26/66/384282666.db2.gz SFFGAUOYWMKFIS-VWYCJHECSA-N 0 0 244.404 2.568 50 0 BFAARN CCCCn1cnc2[nH]c3ccccc3c2c1=O ZINC000408525003 384289097 /nfs/dbraw/zinc/28/90/97/384289097.db2.gz GMFMITWVBZTFOU-UHFFFAOYSA-N 0 0 241.294 2.678 50 0 BFAARN COC(=O)c1ccc(Oc2ccccc2)nc1 ZINC000044200139 384322034 /nfs/dbraw/zinc/32/20/34/384322034.db2.gz FDJSCKXMBLOCMJ-UHFFFAOYSA-N 0 0 229.235 2.661 50 0 BFAARN Nc1nnc(-c2cc(Cl)ccc2Cl)o1 ZINC000011919928 384301316 /nfs/dbraw/zinc/30/13/16/384301316.db2.gz KBDLMNTWTPXEFZ-UHFFFAOYSA-N 0 0 230.054 2.626 50 0 BFAARN C[C@H](CSCC(=O)NC1CC1)c1ccccc1 ZINC000097046912 384301990 /nfs/dbraw/zinc/30/19/90/384301990.db2.gz KEFNPLRUNRCPRJ-LLVKDONJSA-N 0 0 249.379 2.802 50 0 BFAARN Cc1noc(C)c1C(=O)NC1CCC(C)CC1 ZINC000012895166 384340157 /nfs/dbraw/zinc/34/01/57/384340157.db2.gz NJEDVNSMUJNRIQ-UHFFFAOYSA-N 0 0 236.315 2.600 50 0 BFAARN CC(C)CC[C@@H](C)NC(=O)c1ccncc1 ZINC000012972724 384342972 /nfs/dbraw/zinc/34/29/72/384342972.db2.gz OPWBEUKDHLLDNE-LLVKDONJSA-N 0 0 220.316 2.636 50 0 BFAARN O=C1CCOc2ccc(OC(F)(F)F)cc21 ZINC000075882192 384344813 /nfs/dbraw/zinc/34/48/13/384344813.db2.gz GYSZDWIFBBPUFR-UHFFFAOYSA-N 0 0 232.157 2.550 50 0 BFAARN C[C@@H](NC(=O)c1ccoc1)c1cccs1 ZINC000013019603 384347539 /nfs/dbraw/zinc/34/75/39/384347539.db2.gz WAVHKSKIUZGYNJ-MRVPVSSYSA-N 0 0 221.281 2.832 50 0 BFAARN O=C(c1ccoc1)N1CCC[C@H]2CCC[C@H]21 ZINC000095401749 384374220 /nfs/dbraw/zinc/37/42/20/384374220.db2.gz WDWSATKCEFDDAF-ZYHUDNBSSA-N 0 0 219.284 2.684 50 0 BFAARN CCCc1cc(=O)[nH]c(-c2cccc(C)c2)n1 ZINC000013468368 384360172 /nfs/dbraw/zinc/36/01/72/384360172.db2.gz SKMUXFIBTBCTNG-UHFFFAOYSA-N 0 0 228.295 2.698 50 0 BFAARN O=c1cc2c3c(cccc3C(=O)c3ccccc3-2)[nH]1 ZINC000013829304 384374485 /nfs/dbraw/zinc/37/44/85/384374485.db2.gz CTSKAPUYEZZYQA-UHFFFAOYSA-N 0 0 247.253 2.740 50 0 biogenic BFAARN Cc1ccc(C)c(CC(=O)NC(C)(C)C)c1 ZINC000044901093 384365322 /nfs/dbraw/zinc/36/53/22/384365322.db2.gz RMNNEPSUXVVTQZ-UHFFFAOYSA-N 0 0 219.328 2.761 50 0 BFAARN Cn1c(C=O)cc2cc(Br)ccc21 ZINC000095221214 384368187 /nfs/dbraw/zinc/36/81/87/384368187.db2.gz NHZWGLLVVJGZMJ-UHFFFAOYSA-N 0 0 238.084 2.753 50 0 BFAARN COC(=O)c1ccc(N)c(Nc2ccccc2)c1 ZINC000095217854 384369331 /nfs/dbraw/zinc/36/93/31/384369331.db2.gz VEJJHWGOUQIAEN-UHFFFAOYSA-N 0 0 242.278 2.799 50 0 BFAARN CCc1cc(N(C)Cc2cccs2)ncn1 ZINC000095361980 384370922 /nfs/dbraw/zinc/37/09/22/384370922.db2.gz NLWSBTCIKLINRN-UHFFFAOYSA-N 0 0 233.340 2.737 50 0 BFAARN CC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000077310020 384402223 /nfs/dbraw/zinc/40/22/23/384402223.db2.gz HHFMDOBWCCQMOI-LSDHHAIUSA-N 0 0 231.339 2.924 50 0 BFAARN CCCCNC(=O)N[C@H]1CCc2ccccc21 ZINC000032851141 384402297 /nfs/dbraw/zinc/40/22/97/384402297.db2.gz BQZJCAUBVJAFKT-ZDUSSCGKSA-N 0 0 232.327 2.773 50 0 BFAARN Cn1cncc1-c1cccc(Br)c1 ZINC000095911072 384407360 /nfs/dbraw/zinc/40/73/60/384407360.db2.gz ZBKTVJWYHULGAW-UHFFFAOYSA-N 0 0 237.100 2.850 50 0 BFAARN Nc1cc(Cl)ccc1C(=O)C(F)(F)F ZINC000095917790 384408370 /nfs/dbraw/zinc/40/83/70/384408370.db2.gz ROHPKDIGFIATBS-UHFFFAOYSA-N 0 0 223.581 2.667 50 0 BFAARN CC(C)(C)OC(=O)n1ncc2ccc(O)cc21 ZINC000095930633 384410559 /nfs/dbraw/zinc/41/05/59/384410559.db2.gz NNWXIYUDXJLBTJ-UHFFFAOYSA-N 0 0 234.255 2.525 50 0 BFAARN Cc1n[nH]c2cc(Br)ccc12 ZINC000014984925 384412461 /nfs/dbraw/zinc/41/24/61/384412461.db2.gz PUVRYFUBGFMXMW-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN c1nncn1-c1ccc2c(c1)Cc1ccccc1-2 ZINC000045958347 384414014 /nfs/dbraw/zinc/41/40/14/384414014.db2.gz DQCYJZPWSPTOFJ-UHFFFAOYSA-N 0 0 233.274 2.839 50 0 BFAARN COC(=O)c1cc(Cc2ccccc2)ccc1O ZINC000014988423 384415811 /nfs/dbraw/zinc/41/58/11/384415811.db2.gz IUXLBSOJZDOOQK-UHFFFAOYSA-N 0 0 242.274 2.770 50 0 BFAARN COc1c(C)cc(CO)cc1C(F)(F)F ZINC000096029429 384421167 /nfs/dbraw/zinc/42/11/67/384421167.db2.gz IXDIHSCLYNBPML-UHFFFAOYSA-N 0 0 220.190 2.515 50 0 BFAARN CC(=O)c1c(O)n(C)c2ccc(Cl)cc12 ZINC000096026264 384421525 /nfs/dbraw/zinc/42/15/25/384421525.db2.gz OEIGNNGTXIRIMM-UHFFFAOYSA-N 0 0 223.659 2.740 50 0 BFAARN COc1c(C)cc(N)cc1C(F)(F)F ZINC000096029407 384421964 /nfs/dbraw/zinc/42/19/64/384421964.db2.gz ZFHSTWVPCFNUGW-UHFFFAOYSA-N 0 0 205.179 2.605 50 0 BFAARN Cc1nnc(CNc2ccc(F)cc2)s1 ZINC000335912617 384423008 /nfs/dbraw/zinc/42/30/08/384423008.db2.gz FIDVLSJALCBFGE-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN COC(=O)c1ccnc(C2CCCCC2=O)c1 ZINC000100381883 384424082 /nfs/dbraw/zinc/42/40/82/384424082.db2.gz BUWQOPGIAQMOKG-UHFFFAOYSA-N 0 0 233.267 2.711 50 0 BFAARN CC(C)(C)OC(=O)NCc1ccnc(Cl)c1 ZINC000095495799 384378420 /nfs/dbraw/zinc/37/84/20/384378420.db2.gz UZBMRJZJIUFSNU-UHFFFAOYSA-N 0 0 242.706 2.760 50 0 BFAARN CN1CCN(Cc2cccnc2)c2ccccc21 ZINC000095431961 384378476 /nfs/dbraw/zinc/37/84/76/384378476.db2.gz JHNANJQYJHEJTC-UHFFFAOYSA-N 0 0 239.322 2.538 50 0 BFAARN O=Cc1cccc(OC(=O)c2ccc(F)cc2)c1 ZINC000014015607 384380594 /nfs/dbraw/zinc/38/05/94/384380594.db2.gz SHNKMRDAANVRCF-UHFFFAOYSA-N 0 0 244.221 2.857 50 0 BFAARN CC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000095642119 384384276 /nfs/dbraw/zinc/38/42/76/384384276.db2.gz MQKHOUONYFMNDF-UHFFFAOYSA-N 0 0 223.581 2.956 50 0 BFAARN Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)[O-])cc1C ZINC000237792225 384386244 /nfs/dbraw/zinc/38/62/44/384386244.db2.gz PRFIKCHAIMYRMI-CYBMUJFWSA-N 0 0 233.311 2.525 50 0 BFAARN COC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000047202295 384444654 /nfs/dbraw/zinc/44/46/54/384444654.db2.gz OFOKILFDGSZHKO-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 in-vitro BFAARN CCOc1ccc(Br)c(F)c1 ZINC000078469007 384447320 /nfs/dbraw/zinc/44/73/20/384447320.db2.gz ZLECMIQMTYRKRG-UHFFFAOYSA-N 0 0 219.053 2.987 50 0 BFAARN CC[C@](C)(O)[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000096319416 384452034 /nfs/dbraw/zinc/45/20/34/384452034.db2.gz WJKSDILBKCMZDO-KGLIPLIRSA-N 0 0 233.311 2.649 50 0 BFAARN CC[C@](C)(O)[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000096319414 384453766 /nfs/dbraw/zinc/45/37/66/384453766.db2.gz WJKSDILBKCMZDO-KBPBESRZSA-N 0 0 233.311 2.649 50 0 BFAARN O=Cc1cc(Br)ccc1Cl ZINC000016124411 384453881 /nfs/dbraw/zinc/45/38/81/384453881.db2.gz DPKKRQAEYWOISP-UHFFFAOYSA-N 0 0 219.465 2.915 50 0 BFAARN COC(=O)c1ccc(-c2ccncc2)cc1 ZINC000015442535 384432630 /nfs/dbraw/zinc/43/26/30/384432630.db2.gz QQQMCQRQWVXBOY-UHFFFAOYSA-N 0 0 213.236 2.535 50 0 BFAARN O=C(/C=C\c1nc2ccccc2s1)N1CCC1 ZINC000096920545 384436077 /nfs/dbraw/zinc/43/60/77/384436077.db2.gz KMYMFNBFACVGNF-SREVYHEPSA-N 0 0 244.319 2.542 50 0 BFAARN Cc1cccc(-c2nc([C@H]3CCOC3)no2)c1F ZINC000096147930 384436829 /nfs/dbraw/zinc/43/68/29/384436829.db2.gz CVERZNUVWADDEY-VIFPVBQESA-N 0 0 248.257 2.688 50 0 BFAARN Cc1ccc(F)cc1-c1nc([C@@H]2CCOC2)no1 ZINC000096162900 384440301 /nfs/dbraw/zinc/44/03/01/384440301.db2.gz DFTXUCHVSFJRKF-SECBINFHSA-N 0 0 248.257 2.688 50 0 BFAARN CC(C)CCO[C@H](C)C(=O)N1CCC[C@@H](C)C1 ZINC000121855999 384442459 /nfs/dbraw/zinc/44/24/59/384442459.db2.gz QRGJPVQBQIJIBQ-CHWSQXEVSA-N 0 0 241.375 2.696 50 0 BFAARN CCC[C@H](C)NC(=O)Cc1ccc(F)cc1 ZINC000016970680 384477158 /nfs/dbraw/zinc/47/71/58/384477158.db2.gz FGMHRRFHKDNVGZ-JTQLQIEISA-N 0 0 223.291 2.673 50 0 BFAARN Cc1[nH]c2ncccc2c1Br ZINC000079034617 384480702 /nfs/dbraw/zinc/48/07/02/384480702.db2.gz KDAXPQWYQKHDLH-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN COC(=O)c1nc(C)sc1-c1ccccc1 ZINC000079124184 384486191 /nfs/dbraw/zinc/48/61/91/384486191.db2.gz PWSNIVMZHJOKSE-UHFFFAOYSA-N 0 0 233.292 2.905 50 0 BFAARN Cc1n[nH]c(C)c1-c1nc(-c2ccsc2)no1 ZINC000019145544 384508675 /nfs/dbraw/zinc/50/86/75/384508675.db2.gz OAYYIGPGJDFYFV-UHFFFAOYSA-N 0 0 246.295 2.805 50 0 BFAARN CCc1ccc(C[N@H+](C)CCc2ccncc2)o1 ZINC000097294628 384509760 /nfs/dbraw/zinc/50/97/60/384509760.db2.gz MEZAYQNLCJQZEN-UHFFFAOYSA-N 0 0 244.338 2.912 50 0 BFAARN COC(=O)c1ccc2nc(C)cc(Cl)c2c1 ZINC000019702754 384534281 /nfs/dbraw/zinc/53/42/81/384534281.db2.gz UZJZTFRGBNHXSF-UHFFFAOYSA-N 0 0 235.670 2.983 50 0 BFAARN Nc1cccc(COCCOc2ccccc2)c1 ZINC000019391622 384518037 /nfs/dbraw/zinc/51/80/37/384518037.db2.gz NWDSOSRWKMNJII-UHFFFAOYSA-N 0 0 243.306 2.864 50 0 BFAARN CC(C)(C)OC(=O)NC1(c2ccco2)CC1 ZINC000097455232 384522930 /nfs/dbraw/zinc/52/29/30/384522930.db2.gz GAMMLGKFYYBTHX-UHFFFAOYSA-N 0 0 223.272 2.793 50 0 BFAARN CC(=O)Nc1ccc(CNc2cccnc2)cc1 ZINC000019884185 384551944 /nfs/dbraw/zinc/55/19/44/384551944.db2.gz ZNSGTPZIZDUQQT-UHFFFAOYSA-N 0 0 241.294 2.652 50 0 BFAARN CCc1ccc([C@H]2SCC(=O)N2C2CC2)cc1 ZINC000019926917 384560352 /nfs/dbraw/zinc/56/03/52/384560352.db2.gz INJGEAVVYAVAGO-CQSZACIVSA-N 0 0 247.363 2.985 50 0 BFAARN CCc1ccccc1O[C@@H](C)C(=O)N1CCCC1 ZINC000020039716 384570184 /nfs/dbraw/zinc/57/01/84/384570184.db2.gz FLKINIJLCVZPFE-LBPRGKRZSA-N 0 0 247.338 2.639 50 0 BFAARN c1ccc(CNc2nc3ccccc3[nH]2)nc1 ZINC000020103294 384574303 /nfs/dbraw/zinc/57/43/03/384574303.db2.gz QMTDYWBSMBOFPX-UHFFFAOYSA-N 0 0 224.267 2.570 50 0 BFAARN CC1(C)N=C(c2ccccc2)C(C)(C)N1O ZINC000100074209 384614153 /nfs/dbraw/zinc/61/41/53/384614153.db2.gz LIGLEHMSIMQEJW-UHFFFAOYSA-N 0 0 217.292 2.652 50 0 BFAARN O=C1CCCc2nc(-c3ccncc3)sc21 ZINC000050329675 384618850 /nfs/dbraw/zinc/61/88/50/384618850.db2.gz UZMYBXRSPBYMMV-UHFFFAOYSA-N 0 0 230.292 2.724 50 0 BFAARN CCCCNC(=O)[C@H](C)Oc1ccccc1C ZINC000020487827 384620251 /nfs/dbraw/zinc/62/02/51/384620251.db2.gz NRUCLARIMPFLGQ-LBPRGKRZSA-N 0 0 235.327 2.679 50 0 BFAARN CC(C)(C)c1[nH]nc2c1C(=O)c1ccccc1-2 ZINC000100232362 384625267 /nfs/dbraw/zinc/62/52/67/384625267.db2.gz WMDLBUILMXLFQA-UHFFFAOYSA-N 0 0 226.279 2.919 50 0 BFAARN C[C@H](NC(=O)c1ccnc(F)c1F)C(C)(C)C ZINC000097867035 384625960 /nfs/dbraw/zinc/62/59/60/384625960.db2.gz PBBATDZEGATSFY-ZETCQYMHSA-N 0 0 242.269 2.524 50 0 BFAARN Cn1ncc2c1nc(C1CC1)cc2C(F)F ZINC000020603187 384626838 /nfs/dbraw/zinc/62/68/38/384626838.db2.gz ATSRAOPVUKVAQF-UHFFFAOYSA-N 0 0 223.226 2.783 50 0 BFAARN c1cnc2nc(N3CCCCCC3)oc2c1 ZINC000020863248 384639872 /nfs/dbraw/zinc/63/98/72/384639872.db2.gz FVSMZTLLCFVSOR-UHFFFAOYSA-N 0 0 217.272 2.603 50 0 BFAARN CC(C)c1nnc2ccc(Br)cn21 ZINC000082048411 384643674 /nfs/dbraw/zinc/64/36/74/384643674.db2.gz CMRPBXDXBYWNPU-UHFFFAOYSA-N 0 0 240.104 2.615 50 0 BFAARN CC(C)[S@@](=O)c1ccc(Br)cc1 ZINC000082046453 384644201 /nfs/dbraw/zinc/64/42/01/384644201.db2.gz KNOPNGNHCUFBRQ-LBPRGKRZSA-N 0 0 247.157 2.965 50 0 BFAARN Cc1[nH]nc(N)c1-c1cc(C)ccc1C ZINC000100489132 384644725 /nfs/dbraw/zinc/64/47/25/384644725.db2.gz VNYVWJORCPQSOQ-UHFFFAOYSA-N 0 0 201.273 2.584 50 0 BFAARN COCOc1ccc(Br)cc1F ZINC000082237594 384650192 /nfs/dbraw/zinc/65/01/92/384650192.db2.gz GDVPFBUPOUTQPZ-UHFFFAOYSA-N 0 0 235.052 2.571 50 0 BFAARN FC(F)(F)c1ccccc1-n1cc[nH]c1=S ZINC000100722038 384651794 /nfs/dbraw/zinc/65/17/94/384651794.db2.gz SEXSTTUHXJBVGM-UHFFFAOYSA-N 0 0 244.241 2.881 50 0 BFAARN CCCCNC(=O)c1ccc(C)c(C)c1 ZINC000002912742 384681626 /nfs/dbraw/zinc/68/16/26/384681626.db2.gz XLUHUFGUTRPEKZ-UHFFFAOYSA-N 0 0 205.301 2.833 50 0 BFAARN C/C=C/CS[C@H](C)C(=O)NC1CCCC1 ZINC000075607197 384690364 /nfs/dbraw/zinc/69/03/64/384690364.db2.gz SVASQDZITJCGJW-HMDXOVGESA-N 0 0 227.373 2.743 50 0 BFAARN Cc1ccnc(NC(=O)CC(C)(C)C)c1 ZINC000000068154 384699005 /nfs/dbraw/zinc/69/90/05/384699005.db2.gz OHHNSBWEEHSUEU-UHFFFAOYSA-N 0 0 206.289 2.765 50 0 BFAARN COC(=O)c1cc(-c2cccs2)ccc1N ZINC000021950870 384709420 /nfs/dbraw/zinc/70/94/20/384709420.db2.gz PNNRKISKHNTAHL-UHFFFAOYSA-N 0 0 233.292 2.784 50 0 BFAARN Nc1nc2cc(Cl)cc(Cl)c2o1 ZINC000052066075 384713860 /nfs/dbraw/zinc/71/38/60/384713860.db2.gz NHDNAMKNESMSDH-UHFFFAOYSA-N 0 0 203.028 2.717 50 0 BFAARN Cc1nc(Cl)cc(N(CC(F)F)C2CC2)n1 ZINC000079089752 384715351 /nfs/dbraw/zinc/71/53/51/384715351.db2.gz DJIYQTQXCHGESB-UHFFFAOYSA-N 0 0 247.676 2.672 50 0 BFAARN FC(F)(F)c1cc(Br)ccn1 ZINC000021985271 384717802 /nfs/dbraw/zinc/71/78/02/384717802.db2.gz QHLLEZOPZRBCOY-UHFFFAOYSA-N 0 0 225.995 2.863 50 0 BFAARN C[N@H+](CCCC(=O)[O-])Cc1cc2ccccc2o1 ZINC000086802098 384776365 /nfs/dbraw/zinc/77/63/65/384776365.db2.gz JHYMZNUDHAJIJU-UHFFFAOYSA-N 0 0 247.294 2.729 50 0 BFAARN CC1(C)Cc2[nH]nc(C(F)(F)F)c2C(=O)C1 ZINC000052507720 384734822 /nfs/dbraw/zinc/73/48/22/384734822.db2.gz OFQAFLDKWBQAJI-UHFFFAOYSA-N 0 0 232.205 2.584 50 0 in-vitro BFAARN COC(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000022154589 384740977 /nfs/dbraw/zinc/74/09/77/384740977.db2.gz MEZRFPSSHFZRLO-UHFFFAOYSA-N 0 0 241.193 2.556 50 0 BFAARN Nc1ccc(Oc2cccnn2)c(Cl)c1 ZINC000052831448 384749393 /nfs/dbraw/zinc/74/93/93/384749393.db2.gz YVXIPCCFWZUYFZ-UHFFFAOYSA-N 0 0 221.647 2.505 50 0 BFAARN CCc1ccc(C(C)(C)NCc2ncc[nH]2)cc1 ZINC000083477796 384749937 /nfs/dbraw/zinc/74/99/37/384749937.db2.gz BKLJXFZCFKWELK-UHFFFAOYSA-N 0 0 243.354 2.997 50 0 BFAARN Cc1noc(CN(CC2CC2)c2ccccc2)n1 ZINC000084139044 384759233 /nfs/dbraw/zinc/75/92/33/384759233.db2.gz DXFSPROMVHEPAG-UHFFFAOYSA-N 0 0 243.310 2.795 50 0 BFAARN CSCCCN(C)Cc1csc(C)n1 ZINC000084274709 384760811 /nfs/dbraw/zinc/76/08/11/384760811.db2.gz NZPWVJIZURYUTE-UHFFFAOYSA-N 0 0 230.402 2.636 50 0 BFAARN CO[C@@H]1C[C@@H](c2ccccc2)CCC1=O ZINC000146769050 384818242 /nfs/dbraw/zinc/81/82/42/384818242.db2.gz BDWYLSNDWRACPH-WCQYABFASA-N 0 0 204.269 2.538 50 0 BFAARN CCONC(=O)c1ccc(Cl)cc1Cl ZINC000024832612 384834422 /nfs/dbraw/zinc/83/44/22/384834422.db2.gz SYWOPYURSMNFDG-UHFFFAOYSA-N 0 0 234.082 2.675 50 0 BFAARN CCOCOc1ccccc1Br ZINC000083756117 384795849 /nfs/dbraw/zinc/79/58/49/384795849.db2.gz JLTNYNSUKBKUKH-UHFFFAOYSA-N 0 0 231.089 2.822 50 0 BFAARN C[C@@H]1OCC[C@@H]1Nc1cccc2ccn(C)c21 ZINC000188778850 384796517 /nfs/dbraw/zinc/79/65/17/384796517.db2.gz DNJJKGRELOJJTQ-JQWIXIFHSA-N 0 0 230.311 2.768 50 0 BFAARN O=C(CC1CCCCC1)c1ncccn1 ZINC000053766454 384806494 /nfs/dbraw/zinc/80/64/94/384806494.db2.gz QVWARJTWIBBESK-UHFFFAOYSA-N 0 0 204.273 2.630 50 0 BFAARN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1 ZINC000054600968 384842982 /nfs/dbraw/zinc/84/29/82/384842982.db2.gz XFXRRBJJOINGEL-PHIMTYICSA-N 0 0 235.352 2.834 50 0 BFAARN O=C(c1cscn1)N1CCC[C@H]2CCC[C@@H]21 ZINC000087772033 384845867 /nfs/dbraw/zinc/84/58/67/384845867.db2.gz HPPJLIVZOORYBH-KOLCDFICSA-N 0 0 236.340 2.548 50 0 BFAARN Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1 ZINC000084397771 384866349 /nfs/dbraw/zinc/86/63/49/384866349.db2.gz WWTGXYAJVXKEKL-UHFFFAOYSA-N 0 0 241.216 2.782 50 0 in-vitro BFAARN CCCc1c(N)cnn1-c1cccc(F)c1 ZINC000085634784 384956427 /nfs/dbraw/zinc/95/64/27/384956427.db2.gz CCDUQDAYEISAES-UHFFFAOYSA-N 0 0 219.263 2.546 50 0 BFAARN Cc1cccc(C(=O)N2Cc3cccnc3C2)c1 ZINC000559256423 384908756 /nfs/dbraw/zinc/90/87/56/384908756.db2.gz YQUZAQIEENYVGZ-UHFFFAOYSA-N 0 0 238.290 2.546 50 0 BFAARN Cn1cnc2cc(Br)c(F)c(F)c21 ZINC000085477311 384948868 /nfs/dbraw/zinc/94/88/68/384948868.db2.gz ZGZACHGAOZFXKQ-UHFFFAOYSA-N 0 0 247.042 2.614 50 0 BFAARN C[C@@]1(n2nnc3ccccc32)CC1(Cl)Cl ZINC000004776228 384979274 /nfs/dbraw/zinc/97/92/74/384979274.db2.gz CUOGNTJJQMOZST-SECBINFHSA-N 0 0 242.109 2.724 50 0 BFAARN CSc1nc(Cl)c(C)c(Cl)n1 ZINC000086029367 384980272 /nfs/dbraw/zinc/98/02/72/384980272.db2.gz HMZPZWSEUHDAKM-UHFFFAOYSA-N 0 0 209.101 2.814 50 0 BFAARN CCN(CC)Cc1nc(-c2ccsc2)no1 ZINC000058049888 384983978 /nfs/dbraw/zinc/98/39/78/384983978.db2.gz NBDFRBDLHJMTHM-UHFFFAOYSA-N 0 0 237.328 2.640 50 0 BFAARN CCOc1ccccc1CCC(=O)NC(C)(C)C ZINC000058245015 384991332 /nfs/dbraw/zinc/99/13/32/384991332.db2.gz DUAVYHANZZJEPG-UHFFFAOYSA-N 0 0 249.354 2.933 50 0 BFAARN CCc1cc2c(ncnc2Nc2cn[nH]c2)s1 ZINC000058248773 384992680 /nfs/dbraw/zinc/99/26/80/384992680.db2.gz LJQLXTZPFSOSFX-UHFFFAOYSA-N 0 0 245.311 2.720 50 0 BFAARN CSCCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000004997108 384993355 /nfs/dbraw/zinc/99/33/55/384993355.db2.gz NMPJWUVIRVWNHY-UHFFFAOYSA-N 0 0 237.324 2.581 50 0 BFAARN C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC=CCC1 ZINC000058313138 384995628 /nfs/dbraw/zinc/99/56/28/384995628.db2.gz HVHNZKUDCBNHIA-CMPLNLGQSA-N 0 0 207.317 2.600 50 0 BFAARN CC(=O)c1ccccc1NCc1cc(C)on1 ZINC000058338401 384995921 /nfs/dbraw/zinc/99/59/21/384995921.db2.gz JJZHKBGFNIWVPN-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1cccc(COC)c1 ZINC000058292020 384997056 /nfs/dbraw/zinc/99/70/56/384997056.db2.gz TVTSVWQWTIUNOW-SNVBAGLBSA-N 0 0 236.315 2.753 50 0 BFAARN Cc1n[nH]c(C)c1NC(=O)C=C(C1CC1)C1CC1 ZINC000058367449 384999016 /nfs/dbraw/zinc/99/90/16/384999016.db2.gz FSPUPABMHVBHBX-UHFFFAOYSA-N 0 0 245.326 2.711 50 0 BFAARN CC(C)c1ccc(OCCC(=O)N(C)C)cc1 ZINC000058413593 385003631 /nfs/dbraw/zinc/00/36/31/385003631.db2.gz JDAZTVXCYAGPFV-UHFFFAOYSA-N 0 0 235.327 2.667 50 0 BFAARN CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226444975 385016668 /nfs/dbraw/zinc/01/66/68/385016668.db2.gz IABIVNTXVLRPMJ-CHWSQXEVSA-N 0 0 233.311 2.544 50 0 BFAARN Cc1ccc([C@@H](O)c2ccccc2N)cc1 ZINC000005330904 385028228 /nfs/dbraw/zinc/02/82/28/385028228.db2.gz HAUFICIUCBBZIK-CQSZACIVSA-N 0 0 213.280 2.659 50 0 BFAARN O=Cc1cccc(F)c1OCCC(F)(F)F ZINC000165280051 385098859 /nfs/dbraw/zinc/09/88/59/385098859.db2.gz UBBJINMJJPQAJK-UHFFFAOYSA-N 0 0 236.164 2.969 50 0 BFAARN OC[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000062720175 385184921 /nfs/dbraw/zinc/18/49/21/385184921.db2.gz HNPYNZPAPFEJFT-PSASIEDQSA-N 0 0 227.101 2.545 50 0 BFAARN CN(Cc1ccc(Cl)s1)Cc1ncc[nH]1 ZINC000109826374 385192824 /nfs/dbraw/zinc/19/28/24/385192824.db2.gz YEHXPYVTFDYZMP-UHFFFAOYSA-N 0 0 241.747 2.757 50 0 BFAARN CN(Cc1cccc(F)c1)C(=O)c1ccco1 ZINC000033000190 385194722 /nfs/dbraw/zinc/19/47/22/385194722.db2.gz NHVSDZASRUCGLK-UHFFFAOYSA-N 0 0 233.242 2.691 50 0 BFAARN c1ccc2[nH]c(NC3=NCCCCC3)nc2c1 ZINC000005588857 385200636 /nfs/dbraw/zinc/20/06/36/385200636.db2.gz ROHPICKDFJGOOG-UHFFFAOYSA-N 0 0 228.299 2.947 50 0 BFAARN Cc1nc(COC(=O)c2ccncc2)sc1C ZINC000096442728 385170901 /nfs/dbraw/zinc/17/09/01/385170901.db2.gz WSVROHCIUIEUIL-UHFFFAOYSA-N 0 0 248.307 2.512 50 0 BFAARN Cc1ccc(C(=O)NCc2ccccc2)c(O)c1 ZINC000005557697 385173208 /nfs/dbraw/zinc/17/32/08/385173208.db2.gz YBJOVPRFVYGPJG-UHFFFAOYSA-N 0 0 241.290 2.631 50 0 BFAARN O=C(OCC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000096453112 385175430 /nfs/dbraw/zinc/17/54/30/385175430.db2.gz VBNQQVBZYLBQHF-LBPRGKRZSA-N 0 0 238.258 2.552 50 0 BFAARN c1csc(-c2nccn2C[C@@H]2CCOC2)c1 ZINC000096494603 385234541 /nfs/dbraw/zinc/23/45/41/385234541.db2.gz CWRFRIXNQMISOP-JTQLQIEISA-N 0 0 234.324 2.648 50 0 BFAARN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N)cc1 ZINC000033465774 385237132 /nfs/dbraw/zinc/23/71/32/385237132.db2.gz COSXQRGJLFEFGJ-SECBINFHSA-N 0 0 236.315 2.855 50 0 BFAARN CNc1nc(-c2ccc(F)cc2)cs1 ZINC000006671408 385237681 /nfs/dbraw/zinc/23/76/81/385237681.db2.gz MVAWFZOBAJJRCS-UHFFFAOYSA-N 0 0 208.261 2.991 50 0 BFAARN C[C@@H](O)[C@H](C)c1ccc2ccccc2n1 ZINC000063039743 385204397 /nfs/dbraw/zinc/20/43/97/385204397.db2.gz LLDUNGXDOXONAX-VHSXEESVSA-N 0 0 201.269 2.719 50 0 BFAARN CC[C@@H](C)C(=O)N[C@H](C)c1csc(C)n1 ZINC000078562716 385272661 /nfs/dbraw/zinc/27/26/61/385272661.db2.gz DZXJOMHXXHNVRA-HTQZYQBOSA-N 0 0 226.345 2.675 50 0 BFAARN COC(=O)c1cc(F)cc(-c2ccc(O)cc2)c1 ZINC000065340108 385301281 /nfs/dbraw/zinc/30/12/81/385301281.db2.gz NVWPOVNKUOPDLA-UHFFFAOYSA-N 0 0 246.237 2.985 50 0 BFAARN C/C(=C/c1ccc(Br)o1)[N+](=O)[O-] ZINC000169504851 385413433 /nfs/dbraw/zinc/41/34/33/385413433.db2.gz NTCSJAIZGNPUBU-PLNGDYQASA-N 0 0 232.033 2.680 50 0 BFAARN O=Cc1c(F)cccc1N1CCCC(F)(F)C1 ZINC000169725265 385418111 /nfs/dbraw/zinc/41/81/11/385418111.db2.gz YYFJZPMISCEZIE-UHFFFAOYSA-N 0 0 243.228 2.874 50 0 BFAARN FC(F)(F)c1cccnc1N1CCSC1 ZINC000169725702 385418223 /nfs/dbraw/zinc/41/82/23/385418223.db2.gz XKLPCWSHLOZMHU-UHFFFAOYSA-N 0 0 234.246 2.611 50 0 BFAARN O=Cc1c(F)cccc1N1CCC(F)(F)CC1 ZINC000169725267 385418399 /nfs/dbraw/zinc/41/83/99/385418399.db2.gz PAFJUQHSCWPLCH-UHFFFAOYSA-N 0 0 243.228 2.874 50 0 BFAARN Cc1csc(Cc2nc(C)cs2)n1 ZINC000156855881 385471025 /nfs/dbraw/zinc/47/10/25/385471025.db2.gz DZPDEFMTQJQHEX-UHFFFAOYSA-N 0 0 210.327 2.807 50 0 BFAARN C[C@H](NC(=O)Nc1ccccc1F)C1CC1 ZINC000012851001 385499777 /nfs/dbraw/zinc/49/97/77/385499777.db2.gz ANKQPGPYCYJOPQ-QMMMGPOBSA-N 0 0 222.263 2.746 50 0 BFAARN CCOc1ccc2c(c1)sc(=N)n2CC ZINC000196367934 385506826 /nfs/dbraw/zinc/50/68/26/385506826.db2.gz YEFYGTQPQSAFNY-UHFFFAOYSA-N 0 0 222.313 2.601 50 0 BFAARN c1csc(Nc2ncnc3ccccc32)n1 ZINC000012082592 385534784 /nfs/dbraw/zinc/53/47/84/385534784.db2.gz KZTWQKREMQUJHY-UHFFFAOYSA-N 0 0 228.280 2.830 50 0 BFAARN Nc1cc(Br)c2cccnc2c1 ZINC000253534134 385682566 /nfs/dbraw/zinc/68/25/66/385682566.db2.gz ZKNUGXMIWACQQC-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN COC(=O)c1cc(-c2ccccc2Cl)on1 ZINC000211842208 385696780 /nfs/dbraw/zinc/69/67/80/385696780.db2.gz MYLJNYLTNFLEGE-UHFFFAOYSA-N 0 0 237.642 2.782 50 0 BFAARN O=C([C@@H]1CCCO1)N1CCC=Cc2ccccc21 ZINC000190114533 385735048 /nfs/dbraw/zinc/73/50/48/385735048.db2.gz QIBKQSPEZYMKNU-AWEZNQCLSA-N 0 0 243.306 2.616 50 0 BFAARN CC1N=NC(=S)N1c1ccccc1Cl ZINC000006790247 385835093 /nfs/dbraw/zinc/83/50/93/385835093.db2.gz LUQHKHZFLFXGMZ-UHFFFAOYSA-N 0 0 225.704 2.518 50 0 BFAARN CCc1ccc(C[N@H+](C)CCCn2cccn2)o1 ZINC000215844784 385851542 /nfs/dbraw/zinc/85/15/42/385851542.db2.gz GWYQXFKFVWIAFP-UHFFFAOYSA-N 0 0 247.342 2.561 50 0 BFAARN CCc1ccc(CN2CCO[C@@H]3CCCC[C@H]32)o1 ZINC000216478586 385866223 /nfs/dbraw/zinc/86/62/23/385866223.db2.gz CEFOSQKBKDUELF-HUUCEWRRSA-N 0 0 249.354 2.985 50 0 BFAARN Cc1ccc(C(=O)N[C@H](C)c2ccccn2)s1 ZINC000012537370 385871681 /nfs/dbraw/zinc/87/16/81/385871681.db2.gz HUYAWOPVUPVUNI-SNVBAGLBSA-N 0 0 246.335 2.943 50 0 BFAARN CSCC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000032676267 385984266 /nfs/dbraw/zinc/98/42/66/385984266.db2.gz OGRZOPAZEWXMKM-ZDUSSCGKSA-N 0 0 249.379 2.885 50 0 BFAARN CCC[C@H](C)NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000012544664 385991996 /nfs/dbraw/zinc/99/19/96/385991996.db2.gz DFYLSGOXQQUCNT-VIFPVBQESA-N 0 0 247.298 2.588 50 0 BFAARN Cc1ccc(C(=O)NC2CCCC2)s1 ZINC000003256587 385958673 /nfs/dbraw/zinc/95/86/73/385958673.db2.gz GRWRRLRLWZLVII-UHFFFAOYSA-N 0 0 209.314 2.729 50 0 BFAARN CC(=O)c1cc(O)c(SC(C)C)nc1C ZINC000001382950 386042772 /nfs/dbraw/zinc/04/27/72/386042772.db2.gz RANNPHFNGYULTQ-UHFFFAOYSA-N 0 0 225.313 2.799 50 0 BFAARN FC(F)(F)c1ccc(COn2ccnc2)cc1 ZINC000001387028 386120579 /nfs/dbraw/zinc/12/05/79/386120579.db2.gz DTDMMGGCKMTANE-UHFFFAOYSA-N 0 0 242.200 2.531 50 0 BFAARN Fc1ccc(Br)c(OC(F)F)n1 ZINC000263623869 386157517 /nfs/dbraw/zinc/15/75/17/386157517.db2.gz LKSZEUDGZNONRW-UHFFFAOYSA-N 0 0 241.994 2.585 50 0 BFAARN Cc1cc(Br)nc(OC(F)F)c1 ZINC000263622710 386158137 /nfs/dbraw/zinc/15/81/37/386158137.db2.gz ADOZDKCQMGMKNT-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN Nc1cccc2cc(C(F)(F)F)cnc12 ZINC000097757551 386160637 /nfs/dbraw/zinc/16/06/37/386160637.db2.gz QTSWTGJWSFXECQ-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN c1cnn(-c2nc3ccccc3n3cccc23)c1 ZINC000001389504 386137958 /nfs/dbraw/zinc/13/79/58/386137958.db2.gz IMXRLGXYSIWQDV-UHFFFAOYSA-N 0 0 234.262 2.673 50 0 BFAARN O=Cc1ccccc1-c1ccnc(Cl)n1 ZINC000038580112 386138336 /nfs/dbraw/zinc/13/83/36/386138336.db2.gz JXGUITKTLWAVEC-UHFFFAOYSA-N 0 0 218.643 2.610 50 0 BFAARN O=C1[C@@H]2CCC[C@H]1Cc1ccccc1C2 ZINC000225564561 386202934 /nfs/dbraw/zinc/20/29/34/386202934.db2.gz JDPWDBCJEISEEA-BETUJISGSA-N 0 0 200.281 2.771 50 0 BFAARN Cc1ccc(Cc2noc([C@@H]3CCCO3)n2)cc1 ZINC000225590067 386205855 /nfs/dbraw/zinc/20/58/55/386205855.db2.gz ATOHSQPBZDGUTI-LBPRGKRZSA-N 0 0 244.294 2.820 50 0 BFAARN Cc1c[nH]nc1CN1CCCc2ccccc21 ZINC000225418327 386193840 /nfs/dbraw/zinc/19/38/40/386193840.db2.gz XBXBDDKTDZMCLS-UHFFFAOYSA-N 0 0 227.311 2.671 50 0 BFAARN CC(=O)c1ccc(N2C[C@H]2c2ccncc2)cc1 ZINC000004013630 386343607 /nfs/dbraw/zinc/34/36/07/386343607.db2.gz NPKWZPWCVIAXLF-MYJWUSKBSA-N 0 0 238.290 2.846 50 0 BFAARN Cc1c[nH]cc1C(=O)NC1(C2CCC2)CCC1 ZINC000334496897 386385715 /nfs/dbraw/zinc/38/57/15/386385715.db2.gz DGGQDSRXNBTRLN-UHFFFAOYSA-N 0 0 232.327 2.776 50 0 BFAARN CSCc1noc(-c2cccs2)n1 ZINC000059352241 386396638 /nfs/dbraw/zinc/39/66/38/386396638.db2.gz GYXDBQRLLVZAHT-UHFFFAOYSA-N 0 0 212.299 2.661 50 0 BFAARN Cc1ccc(C)c(SCN2CCOCC2)c1 ZINC000024981937 386482575 /nfs/dbraw/zinc/48/25/75/386482575.db2.gz GTIUVCVTKGEWJR-UHFFFAOYSA-N 0 0 237.368 2.685 50 0 BFAARN COCc1ccc(CNc2cc(C)on2)cc1 ZINC000095990332 386483528 /nfs/dbraw/zinc/48/35/28/386483528.db2.gz RRZTVLHLSNNOLH-UHFFFAOYSA-N 0 0 232.283 2.742 50 0 BFAARN CCC(F)(F)CSc1nnc2ccccn21 ZINC000585133133 386682864 /nfs/dbraw/zinc/68/28/64/386682864.db2.gz WJHFLSIOBFRJTN-UHFFFAOYSA-N 0 0 243.282 2.867 50 0 BFAARN Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000053300494 386687716 /nfs/dbraw/zinc/68/77/16/386687716.db2.gz CGZSNWCOOIUJFK-CQSZACIVSA-N 0 0 247.338 2.661 50 0 BFAARN CC(F)(F)COc1ccc(C=O)c(F)c1 ZINC000585672111 386692196 /nfs/dbraw/zinc/69/21/96/386692196.db2.gz ZXAVXYOUGKBIAC-UHFFFAOYSA-N 0 0 218.174 2.672 50 0 BFAARN Cc1ccc2c(c1)c1c3n2CCN(N)[C@H]3CCC1 ZINC000086001048 386737373 /nfs/dbraw/zinc/73/73/73/386737373.db2.gz KAEOXDBIFMYBBG-AWEZNQCLSA-N 0 0 241.338 2.516 50 0 BFAARN Cc1nc(C(=O)Nc2cccc(Cl)c2)co1 ZINC000022606354 386727505 /nfs/dbraw/zinc/72/75/05/386727505.db2.gz PHHHXISRRDHWQV-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccccc1 ZINC000049549888 386775805 /nfs/dbraw/zinc/77/58/05/386775805.db2.gz BCZSIZAIFJJXCU-SNVBAGLBSA-N 0 0 227.267 2.544 50 0 BFAARN CN(Cc1ccccc1Cl)C(=O)c1ccc[nH]1 ZINC000032744550 386815863 /nfs/dbraw/zinc/81/58/63/386815863.db2.gz BOCJUNDIIMXHQE-UHFFFAOYSA-N 0 0 248.713 2.940 50 0 BFAARN FC(F)(F)CSc1nnc(-c2ccc[nH]2)o1 ZINC000012923850 386924856 /nfs/dbraw/zinc/92/48/56/386924856.db2.gz NWTNJTQEIROPPA-UHFFFAOYSA-N 0 0 249.217 2.719 50 0 BFAARN Cn1ccc(-c2nc3c(cccc3F)[nH]2)c1 ZINC000095448462 386990892 /nfs/dbraw/zinc/99/08/92/386990892.db2.gz IFVRKHSALFFGOG-UHFFFAOYSA-N 0 0 215.231 2.708 50 0 BFAARN O=C(C1CCCC1)N1CCc2ccccc2C1 ZINC000001469245 387033126 /nfs/dbraw/zinc/03/31/26/387033126.db2.gz QHAKDJOZUCAXQH-UHFFFAOYSA-N 0 0 229.323 2.762 50 0 BFAARN COc1cc(C(=O)N(C)C2CCC2)ccc1C ZINC000075147808 387042433 /nfs/dbraw/zinc/04/24/33/387042433.db2.gz TYJAXWCFCHYUNB-UHFFFAOYSA-N 0 0 233.311 2.628 50 0 BFAARN CCCCN(C)C(=O)c1cccc2nccnc21 ZINC000074732985 387021458 /nfs/dbraw/zinc/02/14/58/387021458.db2.gz HESJUBLIXBLMPX-UHFFFAOYSA-N 0 0 243.310 2.502 50 0 BFAARN Cc1ccc(C)c(SCC(=O)NC2CC2)c1 ZINC000049823967 387102042 /nfs/dbraw/zinc/10/20/42/387102042.db2.gz XBTURDIZPVEJCE-UHFFFAOYSA-N 0 0 235.352 2.674 50 0 BFAARN CC(=O)Nc1ccc(NC(=O)NC(C)(C)C)cc1 ZINC000000400438 322809493 /nfs/dbraw/zinc/80/94/93/322809493.db2.gz HLPRDTSXUIYFEJ-UHFFFAOYSA-N 0 0 249.314 2.565 50 0 BFAARN CCCc1nc2cccc(C(=O)OC)c2o1 ZINC000575442772 387158068 /nfs/dbraw/zinc/15/80/68/387158068.db2.gz ZJWASRXUZKVBFV-UHFFFAOYSA-N 0 0 219.240 2.567 50 0 BFAARN C1=CC[C@@H]2CN(c3nc(C4CC4)ns3)C[C@@H]2C1 ZINC000089598200 387180610 /nfs/dbraw/zinc/18/06/10/387180610.db2.gz XLIZNSJDJQDVLO-PHIMTYICSA-N 0 0 247.367 2.818 50 0 BFAARN CC(C)(C)c1nnc(N2CCCCC2)s1 ZINC000089761557 387183664 /nfs/dbraw/zinc/18/36/64/387183664.db2.gz HJSBTXTXOJVOTO-UHFFFAOYSA-N 0 0 225.361 2.826 50 0 BFAARN c1csc(-c2nnc([C@@H]3CCCO3)o2)c1 ZINC000064556804 387221191 /nfs/dbraw/zinc/22/11/91/387221191.db2.gz YKLRWYZUKOLWEA-ZETCQYMHSA-N 0 0 222.269 2.650 50 0 BFAARN O=C1O[C@@H](c2ccccc2)Nc2ccccc21 ZINC000000410039 387221306 /nfs/dbraw/zinc/22/13/06/387221306.db2.gz LRICLHSLMATMQM-ZDUSSCGKSA-N 0 0 225.247 2.968 50 0 BFAARN CC(C)=CC(=O)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000000407954 322809743 /nfs/dbraw/zinc/80/97/43/322809743.db2.gz NQEPMXHALRXRQN-GFCCVEGCSA-N 0 0 245.278 2.673 50 0 BFAARN COC(=O)c1ccc(N)cc1-c1ccccc1 ZINC000034550864 387248358 /nfs/dbraw/zinc/24/83/58/387248358.db2.gz RCQJWALJLIKPAA-UHFFFAOYSA-N 0 0 227.263 2.722 50 0 BFAARN CC(C)(C)C(=O)O[C@@H]1C(=O)CC[C@H]2[C@@H]1C2(C)C ZINC000043763570 387273852 /nfs/dbraw/zinc/27/38/52/387273852.db2.gz LMTBILDNMJSHOU-INTQDDNPSA-N 0 0 238.327 2.579 50 0 BFAARN CCOC(=O)c1ncoc1CC1CCCC1 ZINC000043304325 387274144 /nfs/dbraw/zinc/27/41/44/387274144.db2.gz KPZJIJXNGXHTPL-UHFFFAOYSA-N 0 0 223.272 2.584 50 0 BFAARN C/C=C(\OCC)[C@@]1(O)CCc2ccccc21 ZINC000043763214 387274520 /nfs/dbraw/zinc/27/45/20/387274520.db2.gz HCGVDRLYABZWBN-CRAFIKPXSA-N 0 0 218.296 2.761 50 0 BFAARN OCCC[C@@]1(O)CCCC[C@@H]1c1ccccc1 ZINC000043762874 387274535 /nfs/dbraw/zinc/27/45/35/387274535.db2.gz GXIZSEVMWHKCPA-CABCVRRESA-N 0 0 234.339 2.848 50 0 BFAARN C/C=C(\OCC)[C@]1(O)CCc2ccccc21 ZINC000043763213 387274674 /nfs/dbraw/zinc/27/46/74/387274674.db2.gz HCGVDRLYABZWBN-SUSILRQXSA-N 0 0 218.296 2.761 50 0 BFAARN CC(=O)N(C)c1ccc2c(c1)CCCCC2=O ZINC000043214729 387274779 /nfs/dbraw/zinc/27/47/79/387274779.db2.gz WQVFWJVYZXRXGY-UHFFFAOYSA-N 0 0 231.295 2.578 50 0 BFAARN CCOC(=O)[C@@]1(C)C2=C(CCC2=O)CC[C@H]1C ZINC000045071819 387276169 /nfs/dbraw/zinc/27/61/69/387276169.db2.gz ILALNAMAFMHOCC-YMTOWFKASA-N 0 0 236.311 2.645 50 0 BFAARN CN(C)c1ccc(N(C)Cc2cccnc2)cc1 ZINC000089326573 387295344 /nfs/dbraw/zinc/29/53/44/387295344.db2.gz GMRJELKWBSRHSB-UHFFFAOYSA-N 0 0 241.338 2.784 50 0 BFAARN CC(=O)c1cccc(-c2c[nH]c(C)n2)c1 ZINC000032561904 387352966 /nfs/dbraw/zinc/35/29/66/387352966.db2.gz UUOMWPLOJNMQJL-UHFFFAOYSA-N 0 0 200.241 2.588 50 0 BFAARN Cc1nnc(N2CCC(=C3CC3)CC2)s1 ZINC000575606340 387392944 /nfs/dbraw/zinc/39/29/44/387392944.db2.gz ILLXBECOPIMOSG-UHFFFAOYSA-N 0 0 221.329 2.537 50 0 BFAARN CC(C)[C@H]1OCCN1[C@H](C)CCCC(C)(C)O ZINC000102679671 387471714 /nfs/dbraw/zinc/47/17/14/387471714.db2.gz RDSYFMCJZMLINT-CHWSQXEVSA-N 0 0 243.391 2.630 50 0 BFAARN CCc1nc(-c2cc(C)c(OC)c(C)c2)n[nH]1 ZINC000426535084 387581546 /nfs/dbraw/zinc/58/15/46/387581546.db2.gz GYAMCCOVRZQNEI-UHFFFAOYSA-N 0 0 231.299 2.660 50 0 BFAARN NC(=O)c1cccc(/C=C/C2CCCCC2)n1 ZINC000426701348 387585688 /nfs/dbraw/zinc/58/56/88/387585688.db2.gz CVVYJEDLMDBWGY-MDZDMXLPSA-N 0 0 230.311 2.774 50 0 BFAARN CCCCNC(=O)c1cccn1CCCC ZINC000006635565 387593582 /nfs/dbraw/zinc/59/35/82/387593582.db2.gz LLHPNYSHPPEGMW-UHFFFAOYSA-N 0 0 222.332 2.818 50 0 BFAARN Cc1n[nH]cc1CNc1cnc2ccccc2c1 ZINC000036990074 387557851 /nfs/dbraw/zinc/55/78/51/387557851.db2.gz MDVZSHWOOSBJLU-UHFFFAOYSA-N 0 0 238.294 2.878 50 0 BFAARN Cc1nc(-c2cnn(CCC(C)C)c2)c(C)[nH]1 ZINC000426382580 387563640 /nfs/dbraw/zinc/56/36/40/387563640.db2.gz AGBKUAQULYPGID-UHFFFAOYSA-N 0 0 232.331 2.936 50 0 BFAARN c1ccc2nc(NC[C@@H]3CCOC3)ccc2c1 ZINC000037988126 387569236 /nfs/dbraw/zinc/56/92/36/387569236.db2.gz NVMACIVGTPYXNM-NSHDSACASA-N 0 0 228.295 2.683 50 0 BFAARN CCC[C@@H](O)c1ccc(-c2cnn(C)c2)cc1 ZINC000426492745 387577557 /nfs/dbraw/zinc/57/75/57/387577557.db2.gz FGMAEZJJUOBDJD-CQSZACIVSA-N 0 0 230.311 2.921 50 0 BFAARN Cc1cc(C)n(CCCNc2ccc(F)cn2)n1 ZINC000127151342 387706754 /nfs/dbraw/zinc/70/67/54/387706754.db2.gz PBUWZZHJTVSRPN-UHFFFAOYSA-N 0 0 248.305 2.536 50 0 BFAARN CC(=O)[C@@H]1CCCC(=O)[C@@H]2CC[C@H](C)[C@H]21 ZINC000006268126 387715852 /nfs/dbraw/zinc/71/58/52/387715852.db2.gz FVYBONJZCMSLFD-DJFWLOJKSA-N 0 0 208.301 2.607 50 0 BFAARN Cc1cc(C[S@](=O)Cc2cccc(C)c2)no1 ZINC000064811481 387787194 /nfs/dbraw/zinc/78/71/94/387787194.db2.gz QTNSKNLGOQVQCZ-KRWDZBQOSA-N 0 0 249.335 2.740 50 0 BFAARN CCC(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000075403646 387845459 /nfs/dbraw/zinc/84/54/59/387845459.db2.gz NQTXCOUQKZLRON-MRVPVSSYSA-N 0 0 239.702 2.864 50 0 BFAARN CC(C)(C)OC(=O)N1CCCCC12CC(=O)C2 ZINC000250592784 387856535 /nfs/dbraw/zinc/85/65/35/387856535.db2.gz NHKKYMZPVPTITK-UHFFFAOYSA-N 0 0 239.315 2.509 50 0 BFAARN Cc1noc(C)c1C[N@@H+](C)C1CCCC1 ZINC000053435510 387816691 /nfs/dbraw/zinc/81/66/91/387816691.db2.gz UERQXXXCUDEQGR-UHFFFAOYSA-N 0 0 208.305 2.666 50 0 BFAARN CCc1ccc([C@@H](C)NCc2nccn2C)cc1 ZINC000037978980 387908070 /nfs/dbraw/zinc/90/80/70/387908070.db2.gz WUFBSMAMCDTGLU-GFCCVEGCSA-N 0 0 243.354 2.833 50 0 BFAARN CCO[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000036315792 387909392 /nfs/dbraw/zinc/90/93/92/387909392.db2.gz BWIFVCROTHJOFM-CYBMUJFWSA-N 0 0 248.326 2.719 50 0 BFAARN O=C(Nc1nccs1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000239274992 387935795 /nfs/dbraw/zinc/93/57/95/387935795.db2.gz BAWKEKVDOTXEOU-BRPSZJMVSA-N 0 0 222.313 2.518 50 0 BFAARN Cn1nccc1-c1cccc(C2CC(=O)C2)c1 ZINC000521396729 387924490 /nfs/dbraw/zinc/92/44/90/387924490.db2.gz CXHJZWRAXHTQFT-UHFFFAOYSA-N 0 0 226.279 2.534 50 0 BFAARN Cc1cc(C)c(-c2n[nH]cc2C=O)cc1C ZINC000045796089 177832718 /nfs/dbraw/zinc/83/27/18/177832718.db2.gz FGAXURHXKGKYMT-UHFFFAOYSA-N 0 0 214.268 2.814 50 0 BFAARN Cc1ccc(C(=O)N2C[C@H](C)OC[C@@H]2C)c(C)c1 ZINC000045523783 387987584 /nfs/dbraw/zinc/98/75/84/387987584.db2.gz AZHVGEDVGQOFLE-STQMWFEESA-N 0 0 247.338 2.553 50 0 BFAARN Cc1cc(C(=O)N[C@H](C)C2CC2)sc1C ZINC000040473054 177809936 /nfs/dbraw/zinc/80/99/36/177809936.db2.gz VBMPMKDDPTZXQT-MRVPVSSYSA-N 0 0 223.341 2.893 50 0 BFAARN Cc1cc(C(=O)NCc2ccccn2)sc1C ZINC000028200102 177793898 /nfs/dbraw/zinc/79/38/98/177793898.db2.gz VGYQYHGTCZXBAP-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN CC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(O)c1 ZINC000065513362 388065529 /nfs/dbraw/zinc/06/55/29/388065529.db2.gz AGLJOFDWVLHCPV-ZJUUUORDSA-N 0 0 236.315 2.551 50 0 BFAARN CC(C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000065517343 388075811 /nfs/dbraw/zinc/07/58/11/388075811.db2.gz LAZLACONHHVWMF-VIFPVBQESA-N 0 0 237.265 2.833 50 0 BFAARN Cc1noc([C@@H](C)N(C)Cc2ccccc2F)n1 ZINC000065575540 388085624 /nfs/dbraw/zinc/08/56/24/388085624.db2.gz SHPLCCVWEODASN-SECBINFHSA-N 0 0 249.289 2.710 50 0 BFAARN CC(C)c1noc(CSC2=NCCS2)n1 ZINC000065621648 388170312 /nfs/dbraw/zinc/17/03/12/388170312.db2.gz CDAIGLCSGJUROK-UHFFFAOYSA-N 0 0 243.357 2.529 50 0 BFAARN C[C@H](NC(=O)c1ccsc1)c1ccccn1 ZINC000037109045 388123572 /nfs/dbraw/zinc/12/35/72/388123572.db2.gz XGDYTVVRWURPNT-VIFPVBQESA-N 0 0 232.308 2.634 50 0 BFAARN C[C@@H](NC(=O)Cc1cccs1)c1ccco1 ZINC000037114791 388134032 /nfs/dbraw/zinc/13/40/32/388134032.db2.gz JPTKXLATEVYWSK-SECBINFHSA-N 0 0 235.308 2.761 50 0 BFAARN Cc1nc(C(=O)Nc2ccc(F)c(C)c2)c(C)o1 ZINC000065293383 388256012 /nfs/dbraw/zinc/25/60/12/388256012.db2.gz HMUZPHOXOLLKNA-UHFFFAOYSA-N 0 0 248.257 2.991 50 0 BFAARN O=C([C@@H]1C[C@H]1C1CCC1)N1CCC12CCC2 ZINC000170020971 388256044 /nfs/dbraw/zinc/25/60/44/388256044.db2.gz IHUMYFAKSPOQLI-NWDGAFQWSA-N 0 0 219.328 2.578 50 0 BFAARN Cc1nc(C(=O)Nc2cc(C)ccc2F)c(C)o1 ZINC000065293389 388256143 /nfs/dbraw/zinc/25/61/43/388256143.db2.gz XHSPTDBNYZQREX-UHFFFAOYSA-N 0 0 248.257 2.991 50 0 BFAARN Cc1nc(C(=O)NCC2CCCCC2)c(C)o1 ZINC000065293403 388256188 /nfs/dbraw/zinc/25/61/88/388256188.db2.gz AQVXMNOXVIPGFU-UHFFFAOYSA-N 0 0 236.315 2.602 50 0 BFAARN CC(=O)Nc1nn([C@@H](C)c2ccccc2)cc1C ZINC000170607514 388246711 /nfs/dbraw/zinc/24/67/11/388246711.db2.gz AXZGEJSSPBKFNY-NSHDSACASA-N 0 0 243.310 2.759 50 0 BFAARN Cc1ccc(C)c(C(=O)O[C@@H]2CCCCC2=O)c1 ZINC000002648787 388347540 /nfs/dbraw/zinc/34/75/40/388347540.db2.gz YOYAHTYQCSAZPO-CQSZACIVSA-N 0 0 246.306 2.972 50 0 BFAARN CCCCC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067092250 388404822 /nfs/dbraw/zinc/40/48/22/388404822.db2.gz MEKBJIIOPYRKCD-OLZOCXBDSA-N 0 0 235.302 2.988 50 0 BFAARN Cc1ocnc1CNC(=O)Nc1ccc(C)cc1 ZINC000089635064 388356514 /nfs/dbraw/zinc/35/65/14/388356514.db2.gz QMKJWJIKRRGQEE-UHFFFAOYSA-N 0 0 245.282 2.613 50 0 BFAARN CCCCC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067092249 388405032 /nfs/dbraw/zinc/40/50/32/388405032.db2.gz MEKBJIIOPYRKCD-CHWSQXEVSA-N 0 0 235.302 2.988 50 0 BFAARN CC(=O)c1c[nH]c(C(=O)OCC2CCCCC2)c1 ZINC000008258922 388403623 /nfs/dbraw/zinc/40/36/23/388403623.db2.gz KASAMRROJCICBY-UHFFFAOYSA-N 0 0 249.310 2.954 50 0 BFAARN CC(=O)NCc1ccc(-c2csc(C)n2)cc1 ZINC000008316197 388403726 /nfs/dbraw/zinc/40/37/26/388403726.db2.gz QUHYNCORFSBMDL-UHFFFAOYSA-N 0 0 246.335 2.755 50 0 BFAARN Cc1cc(C(=O)N[C@@H](C)c2cccc(F)c2)no1 ZINC000042672366 388444832 /nfs/dbraw/zinc/44/48/32/388444832.db2.gz LJIPJGRPHIWGAZ-VIFPVBQESA-N 0 0 248.257 2.613 50 0 BFAARN CCCc1noc(COc2ccc(OC)cc2)n1 ZINC000071851815 388446593 /nfs/dbraw/zinc/44/65/93/388446593.db2.gz XBXWURRKCBIIMZ-UHFFFAOYSA-N 0 0 248.282 2.610 50 0 BFAARN Cc1cc(C(=O)N2CCCc3ccccc32)no1 ZINC000002497924 388459745 /nfs/dbraw/zinc/45/97/45/388459745.db2.gz MAGLJLLEEMOXLK-UHFFFAOYSA-N 0 0 242.278 2.576 50 0 BFAARN OCc1ccccc1-c1ccc2n[nH]cc2c1 ZINC000067883583 388408374 /nfs/dbraw/zinc/40/83/74/388408374.db2.gz YPADFRZBTYKFMF-UHFFFAOYSA-N 0 0 224.263 2.722 50 0 BFAARN CC(C)c1cnc(NC(=O)c2ccccn2)s1 ZINC000172677184 388410668 /nfs/dbraw/zinc/41/06/68/388410668.db2.gz XLNNCGMUIHAXEP-UHFFFAOYSA-N 0 0 247.323 2.914 50 0 BFAARN CCOc1cccc([C@@H](C)NC(=O)C2CC2)c1 ZINC000068747569 388410735 /nfs/dbraw/zinc/41/07/35/388410735.db2.gz RJYQEPMAQUGMMR-SNVBAGLBSA-N 0 0 233.311 2.673 50 0 BFAARN Cc1ccc(C)c(-n2cnc(Cl)c2C=O)c1 ZINC000040150494 388412798 /nfs/dbraw/zinc/41/27/98/388412798.db2.gz UYOALTNAHZJNGD-UHFFFAOYSA-N 0 0 234.686 2.955 50 0 BFAARN Cc1nc(C(=O)Oc2cccc(F)c2)cs1 ZINC000069312280 388414380 /nfs/dbraw/zinc/41/43/80/388414380.db2.gz QSJXUTGIVOLFQB-UHFFFAOYSA-N 0 0 237.255 2.810 50 0 BFAARN CCC[C@@H]1c2cccn2CCN1C(=O)NC(C)C ZINC000009528184 388436712 /nfs/dbraw/zinc/43/67/12/388436712.db2.gz ZXPYJFYOWDVFJK-CYBMUJFWSA-N 0 0 249.358 2.763 50 0 BFAARN CCc1ccc(-c2noc(C(C)(C)O)n2)cc1 ZINC000253428942 388592748 /nfs/dbraw/zinc/59/27/48/388592748.db2.gz FWDNWEVQJIOWCE-UHFFFAOYSA-N 0 0 232.283 2.526 50 0 BFAARN OC1(CCOc2cccc3ncccc32)CCC1 ZINC000396770828 388597112 /nfs/dbraw/zinc/59/71/12/388597112.db2.gz UHPFPYORWQNPCY-UHFFFAOYSA-N 0 0 243.306 2.919 50 0 BFAARN Cc1ccc(NC(=O)CCc2cccnc2)cc1 ZINC000007917260 388576225 /nfs/dbraw/zinc/57/62/25/388576225.db2.gz NWBVAOHYLGTDEH-UHFFFAOYSA-N 0 0 240.306 2.961 50 0 BFAARN Cc1ccc(CNc2ccncc2F)o1 ZINC000225406539 388680828 /nfs/dbraw/zinc/68/08/28/388680828.db2.gz COQMUSUZCYNXPB-UHFFFAOYSA-N 0 0 206.220 2.734 50 0 BFAARN O=C(/C=C/c1ccco1)NCc1ccccc1 ZINC000000574602 388627476 /nfs/dbraw/zinc/62/74/76/388627476.db2.gz WNFJTJMDEPLRCQ-CMDGGOBGSA-N 0 0 227.263 2.609 50 0 BFAARN CS[C@@H]1CCC[C@H]1N(C)Cc1cscn1 ZINC000110642555 388648084 /nfs/dbraw/zinc/64/80/84/388648084.db2.gz UFHSOHOHLBRHHK-GHMZBOCLSA-N 0 0 242.413 2.859 50 0 BFAARN Cc1occc1C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000089540593 388737546 /nfs/dbraw/zinc/73/75/46/388737546.db2.gz IHDIPNADDDHPJB-YPMHNXCESA-N 0 0 233.311 2.993 50 0 BFAARN Cc1cccc([C@@H](C)Sc2cn[nH]n2)c1 ZINC000089669126 388739584 /nfs/dbraw/zinc/73/95/84/388739584.db2.gz ZLEILELGHBPPOT-SECBINFHSA-N 0 0 219.313 2.966 50 0 BFAARN Cc1nc(-c2cccc(C(=O)N(C)C)c2)cs1 ZINC000089712618 388739867 /nfs/dbraw/zinc/73/98/67/388739867.db2.gz DZNWRPPLBNXEDV-UHFFFAOYSA-N 0 0 246.335 2.820 50 0 BFAARN O=C(c1ccoc1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000089885123 388741536 /nfs/dbraw/zinc/74/15/36/388741536.db2.gz CCODRBOBKCJIRQ-QWRGUYRKSA-N 0 0 219.284 2.542 50 0 BFAARN Cc1cc(C(=O)Nc2cccc(C)n2)c(C)n1C ZINC000298064660 388703817 /nfs/dbraw/zinc/70/38/17/388703817.db2.gz BGWVZGUMQRFDPN-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN CSCC(=O)Nc1ccc(C)c2ncccc12 ZINC000012916111 388725523 /nfs/dbraw/zinc/72/55/23/388725523.db2.gz PNFZWMIRLOTXBR-UHFFFAOYSA-N 0 0 246.335 2.845 50 0 BFAARN CC(C)(C)C(=O)CSc1nccn1C1CC1 ZINC000095947064 388794000 /nfs/dbraw/zinc/79/40/00/388794000.db2.gz LJAUPXJSFDSYCQ-UHFFFAOYSA-N 0 0 238.356 2.925 50 0 BFAARN CCN(C)C(=O)c1cc(C2CC2)nn1C(C)(C)C ZINC000095949652 388794198 /nfs/dbraw/zinc/79/41/98/388794198.db2.gz CPSJPQAEPVKRII-UHFFFAOYSA-N 0 0 249.358 2.607 50 0 BFAARN CC(C)N(C(=O)[C@@H]1C[C@H]1c1cccnc1)C1CC1 ZINC000095957235 388794345 /nfs/dbraw/zinc/79/43/45/388794345.db2.gz GBCHQCSAPQYIKD-UONOGXRCSA-N 0 0 244.338 2.585 50 0 BFAARN CCSCC[C@@H](C)NC(=O)c1ccc(C)o1 ZINC000095962187 388796233 /nfs/dbraw/zinc/79/62/33/388796233.db2.gz KMGSLLRQCDRGGM-SECBINFHSA-N 0 0 241.356 2.850 50 0 BFAARN O=C(OC1CCC1)c1c[nH]nc1-c1ccccc1 ZINC000096004185 388801793 /nfs/dbraw/zinc/80/17/93/388801793.db2.gz WVVRMXSGAFHNKN-UHFFFAOYSA-N 0 0 242.278 2.786 50 0 BFAARN COC(=O)[C@@H](NCc1ccc(C)cc1)C(C)(C)C ZINC000096003608 388802334 /nfs/dbraw/zinc/80/23/34/388802334.db2.gz NRKVDURPEDMLMK-CYBMUJFWSA-N 0 0 249.354 2.672 50 0 BFAARN C[C@@H](NCc1cncs1)c1cncc(F)c1 ZINC000096005657 388802354 /nfs/dbraw/zinc/80/23/54/388802354.db2.gz CZTKZCRIMSYGEB-MRVPVSSYSA-N 0 0 237.303 2.528 50 0 BFAARN CSCC1(Cn2ccnc2C)CCC1 ZINC000095990950 388802426 /nfs/dbraw/zinc/80/24/26/388802426.db2.gz LZIFUTJMMNCIOL-UHFFFAOYSA-N 0 0 210.346 2.725 50 0 BFAARN CC(=O)c1ccc(C(=O)OC2(C3CC3)CC2)cc1 ZINC000096008761 388803071 /nfs/dbraw/zinc/80/30/71/388803071.db2.gz KTEATKSUKBJWAM-UHFFFAOYSA-N 0 0 244.290 2.989 50 0 BFAARN c1ccc2c(c1)oc1c2ncnc1N1CCCO1 ZINC000096011366 388804408 /nfs/dbraw/zinc/80/44/08/388804408.db2.gz NLGUWRBLLKZGMM-UHFFFAOYSA-N 0 0 241.250 2.518 50 0 BFAARN C[C@H]1c2cccn2CCN1C(=O)/C=C\C(C)(C)C ZINC000096034932 388805394 /nfs/dbraw/zinc/80/53/94/388805394.db2.gz ZQWDAGWOSUKDGQ-KRZKBDHCSA-N 0 0 246.354 2.994 50 0 BFAARN c1cnc2nc(N3CCCCCCC3)ccc2n1 ZINC000095389741 388764991 /nfs/dbraw/zinc/76/49/91/388764991.db2.gz WQYZQYXPCORWTI-UHFFFAOYSA-N 0 0 242.326 2.795 50 0 BFAARN Cc1cc(=O)[nH]c2ccc(Br)cc12 ZINC000004632197 177711554 /nfs/dbraw/zinc/71/15/54/177711554.db2.gz NOQMJGOVUYZKIA-UHFFFAOYSA-N 0 0 238.084 2.599 50 0 BFAARN FC(F)Sc1ccccc1Cn1cncn1 ZINC000095399790 388765603 /nfs/dbraw/zinc/76/56/03/388765603.db2.gz HTXXLVLWGDPPGX-UHFFFAOYSA-N 0 0 241.266 2.641 50 0 BFAARN Cc1nc(Cl)cc(Nc2ccc(CO)cc2)n1 ZINC000095446176 388773314 /nfs/dbraw/zinc/77/33/14/388773314.db2.gz HJPYRDAVDUMMAR-UHFFFAOYSA-N 0 0 249.701 2.674 50 0 BFAARN Cc1[nH]c2ncc(Br)cc2c1C ZINC000095836963 388787315 /nfs/dbraw/zinc/78/73/15/388787315.db2.gz BWVALHHPIDZABX-UHFFFAOYSA-N 0 0 225.089 2.942 50 0 BFAARN c1cn(CCSCC2CCCC2)cn1 ZINC000095940645 388791108 /nfs/dbraw/zinc/79/11/08/388791108.db2.gz NSWYVWCHUANFSS-UHFFFAOYSA-N 0 0 210.346 2.807 50 0 BFAARN O=C(/C=C\c1ccco1)NCCc1cccs1 ZINC000096586249 388822794 /nfs/dbraw/zinc/82/27/94/388822794.db2.gz IZIRCPHDBPFOBH-WAYWQWQTSA-N 0 0 247.319 2.713 50 0 BFAARN CCc1c(Cl)nc(C)nc1N[C@H]1C[C@H]1C ZINC000170642843 388832773 /nfs/dbraw/zinc/83/27/73/388832773.db2.gz SSLZZUQOOKDKJO-MUWHJKNJSA-N 0 0 225.723 2.821 50 0 BFAARN CCCCNC(=O)Nc1ccc(F)cc1 ZINC000002147208 388834892 /nfs/dbraw/zinc/83/48/92/388834892.db2.gz PRPGVJISWYATAU-UHFFFAOYSA-N 0 0 210.252 2.747 50 0 BFAARN CCN(CC(F)(F)F)C(=O)C[C@H]1C=CCC1 ZINC000097263598 388835717 /nfs/dbraw/zinc/83/57/17/388835717.db2.gz QNEACNONZSNSBX-VIFPVBQESA-N 0 0 235.249 2.754 50 0 BFAARN Cc1cc(C(N)=O)cc(Cl)c1Br ZINC000252487060 388859983 /nfs/dbraw/zinc/85/99/83/388859983.db2.gz HRMVSENXLYLTLK-UHFFFAOYSA-N 0 0 248.507 2.510 50 0 BFAARN O=C1CCN(c2ccc(Cl)cc2)CC1 ZINC000002559657 132315038 /nfs/dbraw/zinc/31/50/38/132315038.db2.gz SUPUBCWGOUYLIG-UHFFFAOYSA-N 0 0 209.676 2.509 50 0 BFAARN COc1cccc(NC(=O)C2CCCC2)c1 ZINC000000476710 224471807 /nfs/dbraw/zinc/47/18/07/224471807.db2.gz ABISNQXLTLQOFN-UHFFFAOYSA-N 0 0 219.284 2.824 50 0 BFAARN Nc1cc(F)c2ncc(Br)cc2c1 ZINC000238602241 322818730 /nfs/dbraw/zinc/81/87/30/322818730.db2.gz VHDCVYMFTYLNCK-UHFFFAOYSA-N 0 0 241.063 2.719 50 0 BFAARN C[C@H]1CCCN(c2cc(N)c(N)cc2Cl)C1 ZINC000016606312 132243998 /nfs/dbraw/zinc/24/39/98/132243998.db2.gz JYLFDWIRLWPHAD-QMMMGPOBSA-N 0 0 239.750 2.741 50 0 BFAARN O=c1cc(N2CCCCC2)c2ccccc2o1 ZINC000000053303 132312675 /nfs/dbraw/zinc/31/26/75/132312675.db2.gz AZAXRUNIGYYEKS-UHFFFAOYSA-N 0 0 229.279 2.783 50 0 in-vivo BFAARN O=C(c1ccccc1)N1CCOc2ccccc21 ZINC000000130604 132312934 /nfs/dbraw/zinc/31/29/34/132312934.db2.gz NEFCBSJRCDKHRX-UHFFFAOYSA-N 0 0 239.274 2.726 50 0 BFAARN FC(F)(F)c1ccc(N2CCSCC2)nc1 ZINC000020443147 132331852 /nfs/dbraw/zinc/33/18/52/132331852.db2.gz IIDJDQSCIIKWGC-UHFFFAOYSA-N 0 0 248.273 2.654 50 0 BFAARN Clc1cncc(N2CCc3ccccc3C2)n1 ZINC000034182827 132336470 /nfs/dbraw/zinc/33/64/70/132336470.db2.gz PBCVOCWGHNZTFT-UHFFFAOYSA-N 0 0 245.713 2.693 50 0 BFAARN Fc1cccc(N2CCc3sccc3C2)n1 ZINC000040711822 132348270 /nfs/dbraw/zinc/34/82/70/132348270.db2.gz OKOZSXQSCZJPBD-UHFFFAOYSA-N 0 0 234.299 2.845 50 0 BFAARN C[C@H]1CN(C(=O)C2CCC2)c2ccccc2O1 ZINC000041306947 132350303 /nfs/dbraw/zinc/35/03/03/132350303.db2.gz YUBKTGQXTBUWGM-JTQLQIEISA-N 0 0 231.295 2.601 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(c2ccnc(=S)[nH]2)C1 ZINC000045918648 132354964 /nfs/dbraw/zinc/35/49/64/132354964.db2.gz KJJQFJCLZZULMT-RKDXNWHRSA-N 0 0 223.345 2.621 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(c2cc(=S)[nH]cn2)C1 ZINC000045918631 132354984 /nfs/dbraw/zinc/35/49/84/132354984.db2.gz XQCQPQVSVHTAAA-RKDXNWHRSA-N 0 0 223.345 2.621 50 0 BFAARN Cc1cc(N)ccc1N1CCC(C)CC1 ZINC000057363454 132365727 /nfs/dbraw/zinc/36/57/27/132365727.db2.gz SPLIGBCJWLIEQD-UHFFFAOYSA-N 0 0 204.317 2.814 50 0 BFAARN Cc1ccc2c(c1)N(C(=O)C1CC1)C[C@@H](C)O2 ZINC000064554734 132389435 /nfs/dbraw/zinc/38/94/35/132389435.db2.gz KQGKTFYXEYYEGU-SNVBAGLBSA-N 0 0 231.295 2.519 50 0 BFAARN c1cncc(-c2ccnc(N3CCCCC3)n2)c1 ZINC000067320812 132390016 /nfs/dbraw/zinc/39/00/16/132390016.db2.gz UKZVWNKPGSWMGF-UHFFFAOYSA-N 0 0 240.310 2.529 50 0 BFAARN O=Cc1cc(F)ccc1N1CCCC(F)(F)C1 ZINC000169725251 132445306 /nfs/dbraw/zinc/44/53/06/132445306.db2.gz UGHQJRPOZRAPAU-UHFFFAOYSA-N 0 0 243.228 2.874 50 0 BFAARN C[C@H](c1ccccn1)N(C)C(=O)NCC1CCC1 ZINC000068397784 134398235 /nfs/dbraw/zinc/39/82/35/134398235.db2.gz RDVDUQUECBEBHQ-LLVKDONJSA-N 0 0 247.342 2.584 50 0 BFAARN CCc1cc(CC)n(-c2ccccc2O)n1 ZINC000132637588 134663337 /nfs/dbraw/zinc/66/33/37/134663337.db2.gz AKYRTWWMTOMHLH-UHFFFAOYSA-N 0 0 216.284 2.703 50 0 BFAARN O=C(Cc1ccco1)Nc1ccccc1F ZINC000074696899 134947117 /nfs/dbraw/zinc/94/71/17/134947117.db2.gz VYDYFSXXRDOJFO-UHFFFAOYSA-N 0 0 219.215 2.600 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)[C@H]1CCCSC1 ZINC000082318480 134951636 /nfs/dbraw/zinc/95/16/36/134951636.db2.gz GQWMKYGMYMQBBP-NWDGAFQWSA-N 0 0 241.400 2.921 50 0 BFAARN Clc1cnccc1NCCc1ccncc1 ZINC000086833065 135097293 /nfs/dbraw/zinc/09/72/93/135097293.db2.gz PVPJHJUZGOKLAZ-UHFFFAOYSA-N 0 0 233.702 2.785 50 0 BFAARN Cc1nnc(C[N@H+]2C[C@@H]3CC(C)=CC[C@@H]3C2)s1 ZINC000299794801 135207225 /nfs/dbraw/zinc/20/72/25/135207225.db2.gz KXVIKZRSZZIMOH-NEPJUHHUSA-N 0 0 249.383 2.635 50 0 BFAARN CC(C)c1nc(-c2nccn2C)cs1 ZINC000307477011 135389508 /nfs/dbraw/zinc/38/95/08/135389508.db2.gz CQIXFKJWQVNHQW-UHFFFAOYSA-N 0 0 207.302 2.667 50 0 BFAARN Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cn1 ZINC000082339207 135436558 /nfs/dbraw/zinc/43/65/58/135436558.db2.gz MYSSLYGRNKAMKP-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN Cc1ccc(C(=O)N(C)c2ccccc2)n1C ZINC000032836436 135810661 /nfs/dbraw/zinc/81/06/61/135810661.db2.gz WHLXMKGTCAIQSI-UHFFFAOYSA-N 0 0 228.295 2.610 50 0 BFAARN O=Cc1cncc(-c2ccccc2F)c1 ZINC000020443299 397964739 /nfs/dbraw/zinc/96/47/39/397964739.db2.gz RIVJOXXMSMMZQF-UHFFFAOYSA-N 0 0 201.200 2.700 50 0 BFAARN O=c1[nH]ncc(N2CCCC2)c1C1=CCCCC1 ZINC000426739841 397940605 /nfs/dbraw/zinc/94/06/05/397940605.db2.gz SIJRKDOCIUNJAR-UHFFFAOYSA-N 0 0 245.326 2.740 50 0 BFAARN COC(=O)c1cc2c(C)c(C)[nH]c2s1 ZINC000200775337 397954816 /nfs/dbraw/zinc/95/48/16/397954816.db2.gz WQZOOADPRPAIMP-UHFFFAOYSA-N 0 0 209.270 2.633 50 0 BFAARN Cc1ccc(C(=O)Nc2ccccn2)cc1C ZINC000000029951 397913790 /nfs/dbraw/zinc/91/37/90/397913790.db2.gz AQQVLXMXNOKDBH-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN CCOc1ccc(C(=O)n2nc(C)cc2C)cc1 ZINC000000437001 397915357 /nfs/dbraw/zinc/91/53/57/397915357.db2.gz BOHPFTHAEPYMCS-UHFFFAOYSA-N 0 0 244.294 2.587 50 0 BFAARN C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccccn1 ZINC000028780634 397990562 /nfs/dbraw/zinc/99/05/62/397990562.db2.gz FCBQPQAKQOKQMW-RYUDHWBXSA-N 0 0 230.311 2.615 50 0 BFAARN C[Si](C)(C)C(F)(F)C(F)(F)n1ccnc1 ZINC000195756275 397991624 /nfs/dbraw/zinc/99/16/24/397991624.db2.gz FRHKSKVCAHDYBD-UHFFFAOYSA-N 0 0 240.276 2.945 50 0 BFAARN COC(=O)c1c(Cl)ncc2ccccc21 ZINC000095830861 398028818 /nfs/dbraw/zinc/02/88/18/398028818.db2.gz DCQIYLQWJRJJPP-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN CCc1nc(C(=O)C(F)(F)F)c2ccccn21 ZINC000071551289 397975464 /nfs/dbraw/zinc/97/54/64/397975464.db2.gz WJSAPQOISCLHSR-UHFFFAOYSA-N 0 0 242.200 2.642 50 0 BFAARN CSCCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000032819607 397986285 /nfs/dbraw/zinc/98/62/85/397986285.db2.gz KDTVQBRNAXGWIK-NWDGAFQWSA-N 0 0 241.400 2.921 50 0 BFAARN Fc1ccc(Cl)cc1CNc1nncs1 ZINC000083372075 398067601 /nfs/dbraw/zinc/06/76/01/398067601.db2.gz ZWQULCHGQPWDCJ-UHFFFAOYSA-N 0 0 243.694 2.943 50 0 BFAARN O=S(=O)(CC1CCCC1)c1ccc(F)cc1 ZINC000082818150 398067696 /nfs/dbraw/zinc/06/76/96/398067696.db2.gz OPINKXVVBPGZMK-UHFFFAOYSA-N 0 0 242.315 2.790 50 0 BFAARN Fc1cccc(Sc2ncccn2)c1 ZINC000084489435 398068243 /nfs/dbraw/zinc/06/82/43/398068243.db2.gz FHQAAYNJFRXKLS-UHFFFAOYSA-N 0 0 206.245 2.767 50 0 BFAARN O=c1ccnc(C=Cc2sccc2Cl)[nH]1 ZINC000225588718 398073603 /nfs/dbraw/zinc/07/36/03/398073603.db2.gz SGLTXNGPRPKFMB-OWOJBTEDSA-N 0 0 238.699 2.655 50 0 BFAARN COC(=O)c1ccc(Cl)c(Br)c1 ZINC000065336908 398083377 /nfs/dbraw/zinc/08/33/77/398083377.db2.gz CLRJXWANIVYEHH-UHFFFAOYSA-N 0 0 249.491 2.889 50 0 BFAARN O=C(Nc1ccncc1F)c1ccsc1 ZINC000095975731 398089316 /nfs/dbraw/zinc/08/93/16/398089316.db2.gz HSVWRWALUBGMGR-UHFFFAOYSA-N 0 0 222.244 2.535 50 0 BFAARN CC[C@H](C)Nc1cccc([S@](C)=O)c1 ZINC000097232077 171350015 /nfs/dbraw/zinc/35/00/15/171350015.db2.gz QKMSWBPTRZAAAC-LKFCYVNXSA-N 0 0 211.330 2.634 50 0 BFAARN CC(C)CNc1cccc(C[S@](C)=O)c1 ZINC000095981677 167016322 /nfs/dbraw/zinc/01/63/22/167016322.db2.gz BIRIOTFJOMREPK-OAHLLOKOSA-N 0 0 225.357 2.633 50 0 BFAARN CC(C)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000015838034 167069788 /nfs/dbraw/zinc/06/97/88/167069788.db2.gz TZNWNPMSNVFIIV-SNVBAGLBSA-N 0 0 222.288 2.535 50 0 BFAARN CC(C)NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000025992473 167076858 /nfs/dbraw/zinc/07/68/58/167076858.db2.gz FXAITDVVPMVGFH-MRVPVSSYSA-N 0 0 242.269 2.733 50 0 BFAARN CC(C)OCCSc1ncc2ccccn21 ZINC000047822605 167250356 /nfs/dbraw/zinc/25/03/56/167250356.db2.gz OIEZBAPWIFVIRP-UHFFFAOYSA-N 0 0 236.340 2.851 50 0 BFAARN Cc1ccc(C)c(-c2nc(CC(C)(C)O)no2)c1 ZINC000020388178 487589241 /nfs/dbraw/zinc/58/92/41/487589241.db2.gz FHNONXANPIURRE-UHFFFAOYSA-N 0 0 246.310 2.667 50 0 BFAARN COC(=O)c1ccc(-c2cncc(Cl)n2)cc1 ZINC000016696620 409661840 /nfs/dbraw/zinc/66/18/40/409661840.db2.gz OTABOGNYIHUEIC-UHFFFAOYSA-N 0 0 248.669 2.584 50 0 BFAARN CCN(CC)c1ccc(-n2ccnc2)cc1 ZINC000065503246 409994948 /nfs/dbraw/zinc/99/49/48/409994948.db2.gz JRFPLTOMRMWDBS-UHFFFAOYSA-N 0 0 215.300 2.719 50 0 BFAARN Brc1ccc(-n2ccnc2)cc1 ZINC000002528151 166097439 /nfs/dbraw/zinc/09/74/39/166097439.db2.gz SERULNRLZWOYPK-UHFFFAOYSA-N 0 0 223.073 2.635 50 0 in-vitro BFAARN Brc1ccc2c(c1)NCCS2 ZINC000090399895 166099237 /nfs/dbraw/zinc/09/92/37/166099237.db2.gz AUIBYERXYVUBIL-UHFFFAOYSA-N 0 0 230.130 2.967 50 0 BFAARN Brc1ccc2c(c1)NCCC2 ZINC000008699733 166099467 /nfs/dbraw/zinc/09/94/67/166099467.db2.gz DRVWZEWZXCZNAR-UHFFFAOYSA-N 0 0 212.090 2.807 50 0 BFAARN Brc1cnc2nc3ccccc3n2c1 ZINC000020281811 166104818 /nfs/dbraw/zinc/10/48/18/166104818.db2.gz VEXDSLZOKLRXIT-UHFFFAOYSA-N 0 0 248.083 2.645 50 0 BFAARN Brc1cncc(-c2ccncc2)c1 ZINC000072192772 166104406 /nfs/dbraw/zinc/10/44/06/166104406.db2.gz ZKNBQZBRNLAVHS-UHFFFAOYSA-N 0 0 235.084 2.906 50 0 BFAARN Brc1ccnn1Cc1ccccc1 ZINC000034740967 166103387 /nfs/dbraw/zinc/10/33/87/166103387.db2.gz VTWQCBYADOOLSB-UHFFFAOYSA-N 0 0 237.100 2.694 50 0 BFAARN Brc1cncc(NCC2CC2)c1 ZINC000157309431 166104078 /nfs/dbraw/zinc/10/40/78/166104078.db2.gz XOICEMWCCDOTOL-UHFFFAOYSA-N 0 0 227.105 2.666 50 0 BFAARN C[C@@H]1CCCCN1c1ccnc(C2CC2)n1 ZINC000112963538 410246791 /nfs/dbraw/zinc/24/67/91/410246791.db2.gz YXIJUPBGZSHHIM-SNVBAGLBSA-N 0 0 217.316 2.733 50 0 BFAARN Brc1cnc(-c2ccccc2)nc1 ZINC000034286650 166105132 /nfs/dbraw/zinc/10/51/32/166105132.db2.gz ZZKCBZDJCZZPSM-UHFFFAOYSA-N 0 0 235.084 2.906 50 0 BFAARN Brc1csc(N2CCCC2)n1 ZINC000044116779 166105905 /nfs/dbraw/zinc/10/59/05/166105905.db2.gz ORTSNWTXFACJGK-UHFFFAOYSA-N 0 0 233.134 2.506 50 0 BFAARN Brc1cnccc1OCC1CC1 ZINC000095495954 166106162 /nfs/dbraw/zinc/10/61/62/166106162.db2.gz HDASBCPGRAIAKQ-UHFFFAOYSA-N 0 0 228.089 2.633 50 0 BFAARN Brc1cncc2ccccc12 ZINC000000157206 166106372 /nfs/dbraw/zinc/10/63/72/166106372.db2.gz SCRBSGZBTHKAHU-UHFFFAOYSA-N 0 0 208.058 2.997 50 0 in-vitro BFAARN CCN(CC)C(=O)/C=C/c1cccs1 ZINC000003178562 169744350 /nfs/dbraw/zinc/74/43/50/169744350.db2.gz RYIFJSIMZYLDPS-BQYQJAHWSA-N 0 0 209.314 2.630 50 0 BFAARN CCN(CC)C(=O)N[C@@H]1CCCc2occc21 ZINC000084770955 169754274 /nfs/dbraw/zinc/75/42/74/169754274.db2.gz BEWNHHKZUAVCBY-LLVKDONJSA-N 0 0 236.315 2.708 50 0 BFAARN CC(=O)c1cc(-c2ccc(F)cc2)no1 ZINC000008700507 166439896 /nfs/dbraw/zinc/43/98/96/166439896.db2.gz FYOVARWWAUYDFV-UHFFFAOYSA-N 0 0 205.188 2.683 50 0 BFAARN CC(=O)c1ccc(OC(F)(F)F)c(F)c1 ZINC000044564220 166467630 /nfs/dbraw/zinc/46/76/30/166467630.db2.gz BFLRLIVQZGBKEX-UHFFFAOYSA-N 0 0 222.137 2.927 50 0 BFAARN CC(C)(C)C(=O)Cn1cnc(Cl)c1Cl ZINC000002543647 166522314 /nfs/dbraw/zinc/52/23/14/166522314.db2.gz BGKMCAYBCDYDHG-UHFFFAOYSA-N 0 0 235.114 2.805 50 0 BFAARN CC(C)(C)C(=O)COC(=O)c1cccs1 ZINC000003217597 166522923 /nfs/dbraw/zinc/52/29/23/166522923.db2.gz ZPGSOACPXHWNJT-UHFFFAOYSA-N 0 0 226.297 2.520 50 0 BFAARN CC(C)(C)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000000106975 166534381 /nfs/dbraw/zinc/53/43/81/166534381.db2.gz YDSTUKRPNHLYLH-UHFFFAOYSA-N 0 0 245.282 2.721 50 0 BFAARN CC(C)(C)C(=O)Nc1ccnc2cc(C=O)oc21 ZINC000039961370 166534553 /nfs/dbraw/zinc/53/45/53/166534553.db2.gz XVHKFHXHYNDZBK-UHFFFAOYSA-N 0 0 246.266 2.625 50 0 BFAARN CC(C)(C)CNc1ccc2c(c1)OCO2 ZINC000041051144 166591597 /nfs/dbraw/zinc/59/15/97/166591597.db2.gz PGRTVOBTMMWLHC-UHFFFAOYSA-N 0 0 207.273 2.873 50 0 BFAARN CC(C)(C)[C@@H](O)CNc1ccncc1Cl ZINC000096454013 166700298 /nfs/dbraw/zinc/70/02/98/166700298.db2.gz ZYHSGCVXUNVGMM-JTQLQIEISA-N 0 0 228.723 2.554 50 0 BFAARN CC(C)C(=O)NCCc1ccc(Cl)s1 ZINC000049008884 166720171 /nfs/dbraw/zinc/72/01/71/166720171.db2.gz YLGBQZKTHKCCPU-UHFFFAOYSA-N 0 0 231.748 2.716 50 0 BFAARN CC(C)CCNC(=O)[C@]1(C)CC1(Cl)Cl ZINC000040459561 166855587 /nfs/dbraw/zinc/85/55/87/166855587.db2.gz KCUJGBVBJYSYTB-VIFPVBQESA-N 0 0 238.158 2.733 50 0 BFAARN Cc1noc(N)c1-c1cccc(Cl)c1 ZINC000102754971 410860220 /nfs/dbraw/zinc/86/02/20/410860220.db2.gz YYWRVOWFHIJXSZ-UHFFFAOYSA-N 0 0 208.648 2.716 50 0 BFAARN CC(C)COC(=O)/C=C/c1ccccc1 ZINC000000270595 167018632 /nfs/dbraw/zinc/01/86/32/167018632.db2.gz IQZUZPKOFSOVET-CMDGGOBGSA-N 0 0 204.269 2.899 50 0 BFAARN CC(C)NC(=O)/C=C/c1ccccc1Cl ZINC000000064052 167037312 /nfs/dbraw/zinc/03/73/12/167037312.db2.gz OGNKHWCGYSSWET-BQYQJAHWSA-N 0 0 223.703 2.878 50 0 BFAARN CC(C)NC(=O)COc1cccc2ccccc21 ZINC000004070764 167062470 /nfs/dbraw/zinc/06/24/70/167062470.db2.gz FFUIRTDWHVKULK-UHFFFAOYSA-N 0 0 243.306 2.743 50 0 BFAARN CC(C)NC(=O)CSC/C=C\c1ccccc1 ZINC000096248558 167063807 /nfs/dbraw/zinc/06/38/07/167063807.db2.gz MTEFRQGUAYIXJI-TWGQIWQCSA-N 0 0 249.379 2.958 50 0 BFAARN CC(C)NC(=O)C[C@@H](C)c1ccccc1 ZINC000000860216 167065802 /nfs/dbraw/zinc/06/58/02/167065802.db2.gz IAADGNRUCRJGLD-LLVKDONJSA-N 0 0 205.301 2.705 50 0 BFAARN CC(C)NC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000098013982 167070005 /nfs/dbraw/zinc/07/00/05/167070005.db2.gz UVECLDMXYCFSDX-AWEZNQCLSA-N 0 0 246.354 2.669 50 0 BFAARN CC(C)NC(=O)Nc1nc2c(s1)CCCC2 ZINC000044451603 167079760 /nfs/dbraw/zinc/07/97/60/167079760.db2.gz PBACNBABVBXVKV-UHFFFAOYSA-N 0 0 239.344 2.552 50 0 BFAARN CC(C)NC(=O)[C@H](C)SCC1CCCC1 ZINC000097138558 167084533 /nfs/dbraw/zinc/08/45/33/167084533.db2.gz KIVMQYSFIZBIEJ-JTQLQIEISA-N 0 0 229.389 2.823 50 0 BFAARN CC(C)NC(=O)c1cc2ccccc2cc1O ZINC000009499958 167085657 /nfs/dbraw/zinc/08/56/57/167085657.db2.gz SZROYGJENDVJOE-UHFFFAOYSA-N 0 0 229.279 2.684 50 0 BFAARN CC(C)NC(=O)c1cc(-n2cccc2)ccc1F ZINC000032646423 167086037 /nfs/dbraw/zinc/08/60/37/167086037.db2.gz BGFQAAKHYQWXCT-UHFFFAOYSA-N 0 0 246.285 2.755 50 0 BFAARN CC(C)NC(=O)c1csc2c1CCCC2 ZINC000039884230 167089975 /nfs/dbraw/zinc/08/99/75/167089975.db2.gz IFAOUOUENDSSSI-UHFFFAOYSA-N 0 0 223.341 2.765 50 0 BFAARN CC(C)Nc1nc(-c2ccccc2)no1 ZINC000021922149 167148926 /nfs/dbraw/zinc/14/89/26/167148926.db2.gz WCSZZIJJBOHYEQ-UHFFFAOYSA-N 0 0 203.245 2.557 50 0 BFAARN CC(C)Nc1nc(N)c(-c2ccncc2)s1 ZINC000071283839 167150372 /nfs/dbraw/zinc/15/03/72/167150372.db2.gz JODDONMNWHRJGB-UHFFFAOYSA-N 0 0 234.328 2.608 50 0 BFAARN CC(C)OC(=O)CSc1ccc(F)cc1 ZINC000047874101 167160807 /nfs/dbraw/zinc/16/08/07/167160807.db2.gz CCMWVERKLOCBFV-UHFFFAOYSA-N 0 0 228.288 2.869 50 0 BFAARN CC(C)OCCCNc1ncnc2ccccc21 ZINC000001912262 167225906 /nfs/dbraw/zinc/22/59/06/167225906.db2.gz SWRNKUHSPKIGAP-UHFFFAOYSA-N 0 0 245.326 2.857 50 0 BFAARN CC(C)OCc1cccc(NC(=O)NC2CC2)c1 ZINC000049133754 167271545 /nfs/dbraw/zinc/27/15/45/167271545.db2.gz TYGVGSHDRAQAJI-UHFFFAOYSA-N 0 0 248.326 2.896 50 0 BFAARN CC(C)Oc1cc(Br)cnc1F ZINC000090413221 167284911 /nfs/dbraw/zinc/28/49/11/167284911.db2.gz NIGIBZKHYJOSIF-UHFFFAOYSA-N 0 0 234.068 2.770 50 0 BFAARN CC(C)Oc1ccc(NCc2cc[nH]n2)c(F)c1 ZINC000095448765 167297291 /nfs/dbraw/zinc/29/72/91/167297291.db2.gz MNOORGJHMMKYDI-UHFFFAOYSA-N 0 0 249.289 2.948 50 0 BFAARN CC(C)Oc1cccc(F)c1-c1cc(N)ncn1 ZINC000097117094 167307190 /nfs/dbraw/zinc/30/71/90/167307190.db2.gz ODNZHCCPFHXBAS-UHFFFAOYSA-N 0 0 247.273 2.652 50 0 BFAARN CC(C)[C@@H](C)NC(=O)Nc1ccccc1N(C)C ZINC000040104733 167377303 /nfs/dbraw/zinc/37/73/03/167377303.db2.gz KWAWQDIUZQASGF-LLVKDONJSA-N 0 0 249.358 2.919 50 0 BFAARN CC(C)[C@@H](C)SCc1cc(=O)c(O)co1 ZINC000095414715 167388148 /nfs/dbraw/zinc/38/81/48/167388148.db2.gz ODJJMJYDMJBXPS-MRVPVSSYSA-N 0 0 228.313 2.623 50 0 BFAARN CC(C)[C@@H](CCN1C(=O)CCC1=O)c1ccco1 ZINC000000489316 167390340 /nfs/dbraw/zinc/39/03/40/167390340.db2.gz YVFGGOUYIUZARZ-LLVKDONJSA-N 0 0 249.310 2.558 50 0 biogenic BFAARN CC(C)c1cc(C(=O)N2CCCC[C@H]2C)no1 ZINC000013363745 167560811 /nfs/dbraw/zinc/56/08/11/167560811.db2.gz NEVSYFDYTVDZSW-SNVBAGLBSA-N 0 0 236.315 2.813 50 0 BFAARN CC(C)c1cc(C(=O)N2C[C@H]3C[C@@H]2CCC3)no1 ZINC000077486737 167562622 /nfs/dbraw/zinc/56/26/22/167562622.db2.gz ASSYFBNATVYDLJ-MNOVXSKESA-N 0 0 248.326 2.813 50 0 BFAARN CC(C)c1ccc(-c2nnc(N)s2)cc1 ZINC000000449476 167582550 /nfs/dbraw/zinc/58/25/50/167582550.db2.gz QEKWMJDRQOKJJS-UHFFFAOYSA-N 0 0 219.313 2.911 50 0 BFAARN CC(C)c1ccc(C(=O)Nc2nncs2)cc1 ZINC000000382952 167590641 /nfs/dbraw/zinc/59/06/41/167590641.db2.gz KDTIUDNOXAQCSP-UHFFFAOYSA-N 0 0 247.323 2.914 50 0 BFAARN CC(C)c1nc2c[nH]n(-c3ccccc3)c-2n1 ZINC000046085632 167683775 /nfs/dbraw/zinc/68/37/75/167683775.db2.gz GVNWZYBKWRREIA-UHFFFAOYSA-N 0 0 226.283 2.872 50 0 BFAARN CC(C)c1nc2nccc(-c3ccsc3)n2n1 ZINC000096344184 167683966 /nfs/dbraw/zinc/68/39/66/167683966.db2.gz HFTOSDZEMVEQPZ-UHFFFAOYSA-N 0 0 244.323 2.976 50 0 BFAARN O=C(CCc1c(F)cccc1F)N1CCCC1 ZINC000048073504 411173863 /nfs/dbraw/zinc/17/38/63/411173863.db2.gz IBOKTPIPEAUIBZ-UHFFFAOYSA-N 0 0 239.265 2.520 50 0 BFAARN CC(C)n1c2ccccc2nc1[C@H](C)O ZINC000000210243 167740133 /nfs/dbraw/zinc/74/01/33/167740133.db2.gz HCAAICKZPITSJW-VIFPVBQESA-N 0 0 204.273 2.671 50 0 BFAARN CC(C)n1ccnc(NC2CCCCC2)c1=O ZINC000061761955 167769982 /nfs/dbraw/zinc/76/99/82/167769982.db2.gz LDYPJBKXMMZMFH-UHFFFAOYSA-N 0 0 235.331 2.569 50 0 BFAARN Cc1ccc(O[C@@]23CC[N@H+](C2)CCC3)c(C)c1 ZINC000067654453 411222577 /nfs/dbraw/zinc/22/25/77/411222577.db2.gz XDNHOUONPMGXAT-HNNXBMFYSA-N 0 0 231.339 2.921 50 0 BFAARN CC(C)(C)NC(=O)c1cnc(C(C)(C)C)s1 ZINC000049032768 411223221 /nfs/dbraw/zinc/22/32/21/411223221.db2.gz DJUSYGYQGXWLFC-UHFFFAOYSA-N 0 0 240.372 2.969 50 0 BFAARN CC1(C)c2cc(Br)ccc2NC1=O ZINC000033468888 167877849 /nfs/dbraw/zinc/87/78/49/167877849.db2.gz YCHSJOIHTKPUCQ-UHFFFAOYSA-N 0 0 240.100 2.679 50 0 BFAARN CC1(C)[C@H](O)CC[C@]2(C)[C@H](O)CCC[C@]12C ZINC000253479659 168007506 /nfs/dbraw/zinc/00/75/06/168007506.db2.gz RRFARTUDYDSMBW-HBJVGIJOSA-N 0 0 226.360 2.725 50 0 BFAARN CC1(C)[C@H](O)CC[C@]2(C)[C@H](O)CCC[C@@]12C ZINC000253479660 168008097 /nfs/dbraw/zinc/00/80/97/168008097.db2.gz RRFARTUDYDSMBW-OXHZDVMGSA-N 0 0 226.360 2.725 50 0 BFAARN CC1(C)[C@@H]2CN(c3nc(C4CC4)ns3)C[C@@H]21 ZINC000089917694 168013595 /nfs/dbraw/zinc/01/35/95/168013595.db2.gz WLAHBIQVKCBQAR-DTORHVGOSA-N 0 0 235.356 2.508 50 0 BFAARN CC(C)(C)OC(=O)N1CCC(C)(F)CC1 ZINC000215759764 168052669 /nfs/dbraw/zinc/05/26/69/168052669.db2.gz DIWUMINDALALEH-UHFFFAOYSA-N 0 0 217.284 2.746 50 0 BFAARN CC1=C(c2ccccc2)SC2=NCCN12 ZINC000006591334 168087566 /nfs/dbraw/zinc/08/75/66/168087566.db2.gz CVPWXBNBOIRLRS-UHFFFAOYSA-N 0 0 216.309 2.794 50 0 BFAARN CC1=C(c2ccccc2)N2CCN=C2S1 ZINC000106138015 168088221 /nfs/dbraw/zinc/08/82/21/168088221.db2.gz MZYJCDGBZGDOSV-UHFFFAOYSA-N 0 0 216.309 2.794 50 0 BFAARN CC1=C(Cl)c2ccc(C)cc2S1(=O)=O ZINC000000037401 168088721 /nfs/dbraw/zinc/08/87/21/168088721.db2.gz JLUWVAQTNUOWFH-UHFFFAOYSA-N 0 0 228.700 2.710 50 0 BFAARN CC1=CC(=O)OC1Cc1ccc2ccccc2n1 ZINC000000262731 168091875 /nfs/dbraw/zinc/09/18/75/168091875.db2.gz TUHWOPISQPWMOH-AWEZNQCLSA-N 0 0 239.274 2.649 50 0 biogenic BFAARN CC1=CC[N@H+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000075423240 168116416 /nfs/dbraw/zinc/11/64/16/168116416.db2.gz ZFGKORSXELDFTN-UHFFFAOYSA-N 0 0 231.295 2.537 50 0 BFAARN CC1=NO[C@@H](c2ccccc2)N(C)C1(C)C ZINC000019461998 168136830 /nfs/dbraw/zinc/13/68/30/168136830.db2.gz JGDFEAMXFMVVLE-LBPRGKRZSA-N 0 0 218.300 2.802 50 0 BFAARN Cc1cccc(-c2nnc3n2NC(C)=CS3)c1 ZINC000000524996 168137529 /nfs/dbraw/zinc/13/75/29/168137529.db2.gz SPVTWAVCCVEFGN-UHFFFAOYSA-N 0 0 244.323 2.583 50 0 BFAARN CC1CCC(NC(=O)/C=C/c2cccnc2)CC1 ZINC000036396976 168159508 /nfs/dbraw/zinc/15/95/08/168159508.db2.gz HOFMMAUNLXCSQX-RMKNXTFCSA-N 0 0 244.338 2.790 50 0 BFAARN CC1CCC(O)(CSc2nncs2)CC1 ZINC000076082545 168166693 /nfs/dbraw/zinc/16/66/93/168166693.db2.gz CEYJNBBLBPCQKO-UHFFFAOYSA-N 0 0 244.385 2.571 50 0 BFAARN CC1CCN(C(=O)c2cccnc2Cl)CC1 ZINC000000480126 168176242 /nfs/dbraw/zinc/17/62/42/168176242.db2.gz KOHQTMKPQJEEMF-UHFFFAOYSA-N 0 0 238.718 2.607 50 0 BFAARN CC1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000032727016 168176252 /nfs/dbraw/zinc/17/62/52/168176252.db2.gz QKBCFVBWEZOMGJ-UHFFFAOYSA-N 0 0 227.691 2.805 50 0 BFAARN CC1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000028211036 168176270 /nfs/dbraw/zinc/17/62/70/168176270.db2.gz OCESQFWPWCSRDB-UHFFFAOYSA-N 0 0 239.265 2.837 50 0 BFAARN CCC(=O)N1CCC[C@@H]1c1cccc(OC)c1 ZINC000040487652 168218037 /nfs/dbraw/zinc/21/80/37/168218037.db2.gz GOHKPSCRGCKJMF-CYBMUJFWSA-N 0 0 233.311 2.769 50 0 BFAARN CCC(=O)N1CCc2sccc2[C@H]1CC ZINC000032781321 168226003 /nfs/dbraw/zinc/22/60/03/168226003.db2.gz CHLIPEXJEHNWDH-SNVBAGLBSA-N 0 0 223.341 2.994 50 0 BFAARN CCC(=O)NCc1ccc(Cl)c(C)c1 ZINC000097112034 168232637 /nfs/dbraw/zinc/23/26/37/168232637.db2.gz LKROJIUIEPQNKV-UHFFFAOYSA-N 0 0 211.692 2.675 50 0 BFAARN CCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000000375368 168234499 /nfs/dbraw/zinc/23/44/99/168234499.db2.gz ASEOMIRZIMEYSQ-NSHDSACASA-N 0 0 205.301 2.534 50 0 BFAARN CCC(=O)N[C@@H](C)c1nc2ccccc2n1CC ZINC000000200726 168236511 /nfs/dbraw/zinc/23/65/11/168236511.db2.gz XXRBPLRBMARQAS-JTQLQIEISA-N 0 0 245.326 2.643 50 0 BFAARN CCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000004656415 168239537 /nfs/dbraw/zinc/23/95/37/168239537.db2.gz YCGUYIHFXOEXAP-MRVPVSSYSA-N 0 0 211.692 2.927 50 0 BFAARN CCC(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000078826202 168240001 /nfs/dbraw/zinc/24/00/01/168240001.db2.gz GJABGNOSZRTKOM-CYBMUJFWSA-N 0 0 217.312 2.534 50 0 BFAARN CCC(=O)Nc1c2nsnc2ccc1Cl ZINC000004488145 168241715 /nfs/dbraw/zinc/24/17/15/168241715.db2.gz RBZFUJTUVISFLU-UHFFFAOYSA-N 0 0 241.703 2.693 50 0 BFAARN CCC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000006396096 168243947 /nfs/dbraw/zinc/24/39/47/168243947.db2.gz FVDVWDMNBQCCDU-UHFFFAOYSA-N 0 0 248.326 2.563 50 0 BFAARN CCC(=O)Nc1ccc(Cl)cc1OC ZINC000000399596 168244191 /nfs/dbraw/zinc/24/41/91/168244191.db2.gz DAPOZHWLYIJVOS-UHFFFAOYSA-N 0 0 213.664 2.697 50 0 BFAARN CCC(=O)Nc1ccc2ccccc2n1 ZINC000032731950 168245861 /nfs/dbraw/zinc/24/58/61/168245861.db2.gz QAXHWMWOMJZFCA-UHFFFAOYSA-N 0 0 200.241 2.583 50 0 BFAARN CCC(=O)Nc1nc(-c2ccc(C)cc2)ns1 ZINC000027988983 168248486 /nfs/dbraw/zinc/24/84/86/168248486.db2.gz CBBZFJTXJJQGNU-UHFFFAOYSA-N 0 0 247.323 2.862 50 0 BFAARN CCC(=O)O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CC=C[C@@H]12 ZINC000004083571 168249518 /nfs/dbraw/zinc/24/95/18/168249518.db2.gz BLBJUGKATXCWET-MTVMDMGHSA-N 0 0 206.285 2.540 50 0 biogenic BFAARN CCC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000041285189 168252227 /nfs/dbraw/zinc/25/22/27/168252227.db2.gz SDXDPFJADRSXOW-SNVBAGLBSA-N 0 0 241.331 2.613 50 0 BFAARN CCC(=O)[C@@H](C)Sc1nnc(SC)s1 ZINC000095952990 168252231 /nfs/dbraw/zinc/25/22/31/168252231.db2.gz JRGRZZYWIFMBHC-RXMQYKEDSA-N 0 0 248.398 2.720 50 0 BFAARN CCC(=O)c1ccc(Br)cc1O ZINC000000153475 168255307 /nfs/dbraw/zinc/25/53/07/168255307.db2.gz CPZPNEVIZAJTDT-UHFFFAOYSA-N 0 0 229.073 2.747 50 0 BFAARN CCC(=O)n1cc(C=O)c2ccccc21 ZINC000000608821 168258937 /nfs/dbraw/zinc/25/89/37/168258937.db2.gz ACKLMSYSJQUZLQ-UHFFFAOYSA-N 0 0 201.225 2.504 50 0 BFAARN CCC(C)(C)Nc1c(=O)c(=O)c1-c1ccccc1 ZINC000006749133 168303394 /nfs/dbraw/zinc/30/33/94/168303394.db2.gz VXMSZAJDRIQGFM-UHFFFAOYSA-N 0 0 243.306 2.550 50 0 BFAARN CCC(C)(C)c1ccc(O[C@H](C)C(N)=O)cc1 ZINC000007813815 168305002 /nfs/dbraw/zinc/30/50/02/168305002.db2.gz GDSUKLKJVCFDGH-SNVBAGLBSA-N 0 0 235.327 2.627 50 0 BFAARN CCC(C)(CC)NC(=O)COC1CCCC1 ZINC000071903643 168307132 /nfs/dbraw/zinc/30/71/32/168307132.db2.gz QBUHBAJSSWZZAN-UHFFFAOYSA-N 0 0 227.348 2.641 50 0 BFAARN CCC(C)(CC)NC(=O)Nc1cccnc1 ZINC000072282421 168308294 /nfs/dbraw/zinc/30/82/94/168308294.db2.gz XPXBSEJQQHNYQX-UHFFFAOYSA-N 0 0 221.304 2.782 50 0 BFAARN COc1ccc(-n2cc(C(F)(F)F)cn2)cc1 ZINC000114181191 411400028 /nfs/dbraw/zinc/40/00/28/411400028.db2.gz NAYIYZMHPDDFTO-UHFFFAOYSA-N 0 0 242.200 2.900 50 0 BFAARN CC/C=C\C(=O)N(C)Cc1cccc(OC)c1 ZINC000103423293 411440318 /nfs/dbraw/zinc/44/03/18/411440318.db2.gz DSQGMVFWIPGNNJ-UITAMQMPSA-N 0 0 233.311 2.620 50 0 BFAARN CCN1C(=O)SC(=CNc2ccccc2)C1=O ZINC000096429693 169948173 /nfs/dbraw/zinc/94/81/73/169948173.db2.gz PVGWHHNCDLILBX-NTMALXAHSA-N 0 0 248.307 2.655 50 0 BFAARN CCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000000410060 170042911 /nfs/dbraw/zinc/04/29/11/170042911.db2.gz HKNZSBGYCFOUHB-UHFFFAOYSA-N 0 0 239.318 2.955 50 0 BFAARN CCNC(=O)N(CCC(F)(F)F)C1CCC1 ZINC000096460598 170072697 /nfs/dbraw/zinc/07/26/97/170072697.db2.gz KPZWHDXZUXRIEH-UHFFFAOYSA-N 0 0 238.253 2.523 50 0 BFAARN CCNC(=O)Nc1ccc(C(C)C)cc1 ZINC000000392913 170084313 /nfs/dbraw/zinc/08/43/13/170084313.db2.gz URHWQWSSDZEEJL-UHFFFAOYSA-N 0 0 206.289 2.951 50 0 BFAARN CCNC(=O)Nc1cn(CC)c2ccccc12 ZINC000005265977 170085138 /nfs/dbraw/zinc/08/51/38/170085138.db2.gz UAWGFQDEVRSRIA-UHFFFAOYSA-N 0 0 231.299 2.803 50 0 BFAARN CCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000013688963 170096444 /nfs/dbraw/zinc/09/64/44/170096444.db2.gz LNJVECKPLCIYNI-NSHDSACASA-N 0 0 243.306 2.743 50 0 BFAARN CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000000473807 170096866 /nfs/dbraw/zinc/09/68/66/170096866.db2.gz VYEOUMPUADYWQG-VIFPVBQESA-N 0 0 241.718 2.552 50 0 BFAARN CCNC(=O)[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000002504554 170099439 /nfs/dbraw/zinc/09/94/39/170099439.db2.gz VUNOFAIHSALQQH-TUAOUCFPSA-N 0 0 211.349 2.831 50 0 endogenous,in-man BFAARN CCNC(=O)c1cc(Cl)cc(Cl)c1 ZINC000000405604 170100412 /nfs/dbraw/zinc/10/04/12/170100412.db2.gz ZVJJAWHZUKVECT-UHFFFAOYSA-N 0 0 218.083 2.743 50 0 BFAARN CCNC(=O)c1ccccc1-c1ccc(O)cc1 ZINC000067642796 170103281 /nfs/dbraw/zinc/10/32/81/170103281.db2.gz PKRRTNBUIOPJDC-UHFFFAOYSA-N 0 0 241.290 2.809 50 0 BFAARN CCNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000000615961 170105948 /nfs/dbraw/zinc/10/59/48/170105948.db2.gz IGFJOOUDIAHLKV-UHFFFAOYSA-N 0 0 232.711 2.785 50 0 BFAARN CCNC(=S)Nc1ccccc1CC ZINC000007561175 170106299 /nfs/dbraw/zinc/10/62/99/170106299.db2.gz QBLQKKWMTCLWBL-UHFFFAOYSA-N 0 0 208.330 2.555 50 0 BFAARN CCNC(=S)Nc1ccc(Cl)cc1C ZINC000000618785 170106554 /nfs/dbraw/zinc/10/65/54/170106554.db2.gz FNPGMOWOCPDWMB-UHFFFAOYSA-N 0 0 228.748 2.955 50 0 BFAARN CCNC(=S)Nc1ccc(OC)c(Cl)c1 ZINC000007521479 170106870 /nfs/dbraw/zinc/10/68/70/170106870.db2.gz AZOCYEKKAWBBSM-UHFFFAOYSA-N 0 0 244.747 2.655 50 0 BFAARN CC[NH2+][C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000037425045 170156215 /nfs/dbraw/zinc/15/62/15/170156215.db2.gz DLIDNAYYJTXVSF-VIFPVBQESA-N 0 0 248.109 2.729 50 0 BFAARN CCNc1cc(OC)c(Cl)cc1OC ZINC000019906043 170172799 /nfs/dbraw/zinc/17/27/99/170172799.db2.gz MQVMUOCBWDAPKL-UHFFFAOYSA-N 0 0 215.680 2.789 50 0 BFAARN CCNc1ccc2c(Cl)cc(=O)oc2c1 ZINC000000369399 170174442 /nfs/dbraw/zinc/17/44/42/170174442.db2.gz OHVFDYQBAHVHMB-UHFFFAOYSA-N 0 0 223.659 2.878 50 0 BFAARN CCNc1nnc(-c2ccccc2C)s1 ZINC000034925541 170178982 /nfs/dbraw/zinc/17/89/82/170178982.db2.gz IAFHEOBZSVBCHA-UHFFFAOYSA-N 0 0 219.313 2.945 50 0 BFAARN CCOC(=N)c1ccc(OC)cc1OC(C)C ZINC000021303902 170179859 /nfs/dbraw/zinc/17/98/59/170179859.db2.gz ZBJSSJKFWYKQHY-UHFFFAOYSA-N 0 0 237.299 2.844 50 0 BFAARN CCOC(=O)C=C(C)Nc1ccc(OC)cc1 ZINC000100255499 170182799 /nfs/dbraw/zinc/18/27/99/170182799.db2.gz VCDKJCZDQCVIMW-MDZDMXLPSA-N 0 0 235.283 2.574 50 0 BFAARN CCOC(=O)C(=O)c1ccc(C(C)C)cc1 ZINC000004255782 170184957 /nfs/dbraw/zinc/18/49/57/170184957.db2.gz CGCCWTUTQYRMIO-UHFFFAOYSA-N 0 0 220.268 2.556 50 0 BFAARN CCOC(=O)C1=C(C)Sc2ccccc2N1 ZINC000026469011 170191761 /nfs/dbraw/zinc/19/17/61/170191761.db2.gz RBKKKOYKNALEQS-UHFFFAOYSA-N 0 0 235.308 2.999 50 0 BFAARN CCOC(=O)CCC(=O)c1cc(C)ccc1C ZINC000002378835 170198781 /nfs/dbraw/zinc/19/87/81/170198781.db2.gz XFDVVUZNDMIQOX-UHFFFAOYSA-N 0 0 234.295 2.829 50 0 BFAARN CCOC(=O)CSc1ccc(Cl)cc1 ZINC000000160914 170230209 /nfs/dbraw/zinc/23/02/09/170230209.db2.gz ZXXZYFJTEHVGQY-UHFFFAOYSA-N 0 0 230.716 2.995 50 0 BFAARN CCOC(=O)Cc1c(C)cc(C)cc1C ZINC000001586612 170234180 /nfs/dbraw/zinc/23/41/80/170234180.db2.gz OFZZPFNYAMIBNU-UHFFFAOYSA-N 0 0 206.285 2.717 50 0 BFAARN CCOC(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000038212964 170234281 /nfs/dbraw/zinc/23/42/81/170234281.db2.gz QJOJSMQJAHIRLS-UHFFFAOYSA-N 0 0 235.258 2.721 50 0 BFAARN CCOC(=O)N(Cc1ccsc1)C1CC1 ZINC000049521813 170238642 /nfs/dbraw/zinc/23/86/42/170238642.db2.gz XCOPSJLYPMPXFQ-UHFFFAOYSA-N 0 0 225.313 2.869 50 0 BFAARN CCOC(=O)Oc1ccc(Cl)cc1 ZINC000001601868 170244875 /nfs/dbraw/zinc/24/48/75/170244875.db2.gz YVZRSAKDPDOUPK-UHFFFAOYSA-N 0 0 200.621 2.875 50 0 BFAARN CCOC(=O)[C@@H](C/C=C/c1ccccc1)C(C)=O ZINC000001702396 170249886 /nfs/dbraw/zinc/24/98/86/170249886.db2.gz CWQNCOQPLICNMH-RNVIBTMRSA-N 0 0 246.306 2.858 50 0 BFAARN CCOC(=O)C1=C(O)CC[C@H](c2ccccc2)C1 ZINC000038665664 170259957 /nfs/dbraw/zinc/25/99/57/170259957.db2.gz JZNYKTFYDHOKCD-QWHCGFSZSA-N 0 0 246.306 2.703 50 0 BFAARN CCOC(=O)[C@@H]1[C@H]2C=C3CCc4cccc(c43)[C@H]21 ZINC000229863927 170260196 /nfs/dbraw/zinc/26/01/96/170260196.db2.gz LWENPOAPZKOYQS-NWANDNLSSA-N 0 0 240.302 2.923 50 0 BFAARN CCOC(=O)[C@H](C)Oc1ccc(C)c(C)c1 ZINC000002731915 170269172 /nfs/dbraw/zinc/26/91/72/170269172.db2.gz XLOKDICDLAYRMD-NSHDSACASA-N 0 0 222.284 2.634 50 0 BFAARN CCOC(=O)[C@H](CC)c1ccc(NC(C)=O)cc1 ZINC000000390536 170272444 /nfs/dbraw/zinc/27/24/44/170272444.db2.gz PLCHXGXAYBEKEN-CYBMUJFWSA-N 0 0 249.310 2.702 50 0 BFAARN CCOC(=O)[C@H]1CCC[C@H]1Nc1ccccc1 ZINC000095919674 170281699 /nfs/dbraw/zinc/28/16/99/170281699.db2.gz QGPNXJMZTWTKJY-QWHCGFSZSA-N 0 0 233.311 2.830 50 0 BFAARN CCOC(=O)c1c(C)[nH]c2ccc(C)cc21 ZINC000094992683 170287545 /nfs/dbraw/zinc/28/75/45/170287545.db2.gz DWKFJNJSZAGPRM-UHFFFAOYSA-N 0 0 217.268 2.961 50 0 BFAARN CCOC(=O)c1c(C)[nH]c(C(=O)C(C)C)c1C ZINC000003351110 170287573 /nfs/dbraw/zinc/28/75/73/170287573.db2.gz CRLLDEPYLYPLQI-UHFFFAOYSA-N 0 0 237.299 2.647 50 0 BFAARN CCOC(=O)c1c(C)[nH]c2ccc(OC)cc21 ZINC000000034436 170287787 /nfs/dbraw/zinc/28/77/87/170287787.db2.gz IRBNTIJXCHIBNA-UHFFFAOYSA-N 0 0 233.267 2.662 50 0 BFAARN CCOC(=O)c1c(C=O)c2ccccc2n1CC ZINC000000429892 170288641 /nfs/dbraw/zinc/28/86/41/170288641.db2.gz NZLSLNOZESEFMD-UHFFFAOYSA-N 0 0 245.278 2.650 50 0 BFAARN CCOC(=O)c1c(C)c(C)sc1NC(C)=O ZINC000000223077 170289025 /nfs/dbraw/zinc/28/90/25/170289025.db2.gz ANBPVZZUAZWQHR-UHFFFAOYSA-N 0 0 241.312 2.500 50 0 BFAARN CCOC(=O)c1cc2oc(C)cc2c(O)c1 ZINC000034604715 170293142 /nfs/dbraw/zinc/29/31/42/170293142.db2.gz FUMIJABWOZOAAU-UHFFFAOYSA-N 0 0 220.224 2.624 50 0 BFAARN CCOC(=O)c1cc2cc(F)ccc2nc1C ZINC000000065143 170293511 /nfs/dbraw/zinc/29/35/11/170293511.db2.gz KISFDCXMMHLADD-UHFFFAOYSA-N 0 0 233.242 2.859 50 0 BFAARN CCOC(=O)c1ccc(Cl)cc1F ZINC000002384162 170295955 /nfs/dbraw/zinc/29/59/55/170295955.db2.gz MVPSCBLITKTKLF-UHFFFAOYSA-N 0 0 202.612 2.656 50 0 BFAARN CCOC(=O)c1ccc(-c2cnco2)cc1 ZINC000090470729 170294324 /nfs/dbraw/zinc/29/43/24/170294324.db2.gz DMCXVEGHRQNRLG-UHFFFAOYSA-N 0 0 217.224 2.518 50 0 BFAARN CCOC(=O)c1ccc(-c2cnccc2C)o1 ZINC000045028411 170294786 /nfs/dbraw/zinc/29/47/86/170294786.db2.gz CJWHPFZOVILMRY-UHFFFAOYSA-N 0 0 231.251 2.827 50 0 BFAARN CCOC(=O)c1ccc(C)c2c1CCC2 ZINC000005858148 170295487 /nfs/dbraw/zinc/29/54/87/170295487.db2.gz ZZUHUGVNICWMQB-UHFFFAOYSA-N 0 0 204.269 2.660 50 0 BFAARN CCOC(=O)c1ccc(C)cc1OCC ZINC000022058923 170295526 /nfs/dbraw/zinc/29/55/26/170295526.db2.gz PQLJVFJXXWBUPR-UHFFFAOYSA-N 0 0 208.257 2.570 50 0 BFAARN CCOC(=O)c1ccc(F)c(Br)c1 ZINC000016159069 170296208 /nfs/dbraw/zinc/29/62/08/170296208.db2.gz FDVAAQDTTZNHKG-UHFFFAOYSA-N 0 0 247.063 2.765 50 0 BFAARN CCOC(=O)c1cccc(Cl)c1F ZINC000021300175 170298628 /nfs/dbraw/zinc/29/86/28/170298628.db2.gz MCNAALBXEILIIB-UHFFFAOYSA-N 0 0 202.612 2.656 50 0 BFAARN CCOC(=O)c1ccccc1-c1csc(N)n1 ZINC000000169915 170299440 /nfs/dbraw/zinc/29/94/40/170299440.db2.gz CYDLESGWRDBHSX-UHFFFAOYSA-N 0 0 248.307 2.569 50 0 BFAARN CCOC(=O)c1cccn1Cc1ccccc1 ZINC000002381163 170299812 /nfs/dbraw/zinc/29/98/12/170299812.db2.gz DREONSCOKKHULY-UHFFFAOYSA-N 0 0 229.279 2.713 50 0 BFAARN CCOC(=O)c1cnc(Cl)c(F)c1Cl ZINC000071257406 170301401 /nfs/dbraw/zinc/30/14/01/170301401.db2.gz PJAYGSDXQHYXNZ-UHFFFAOYSA-N 0 0 238.045 2.704 50 0 BFAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1N ZINC000040174231 170302858 /nfs/dbraw/zinc/30/28/58/170302858.db2.gz BXBBQVZTPPGMLA-UHFFFAOYSA-N 0 0 244.294 2.611 50 0 BFAARN CCOC(=O)c1cnc2ccc(F)cc2c1OC ZINC000019897585 170302880 /nfs/dbraw/zinc/30/28/80/170302880.db2.gz TZBBLLUVUYFNTE-UHFFFAOYSA-N 0 0 249.241 2.559 50 0 BFAARN CCOC(=O)c1sc2ccccc2c1N ZINC000000145157 170310687 /nfs/dbraw/zinc/31/06/87/170310687.db2.gz XZSFZYVMRZLUOJ-UHFFFAOYSA-N 0 0 221.281 2.660 50 0 BFAARN CCOC(=O)c1sc2cccc(F)c2c1N ZINC000000111034 170310833 /nfs/dbraw/zinc/31/08/33/170310833.db2.gz NDCOPHDDFKYFJF-UHFFFAOYSA-N 0 0 239.271 2.799 50 0 BFAARN CCOC(=O)c1sc(-c2cccnc2)nc1C ZINC000000158614 170311013 /nfs/dbraw/zinc/31/10/13/170311013.db2.gz PNJYSPUXYJWHJJ-UHFFFAOYSA-N 0 0 248.307 2.690 50 0 BFAARN CCOC(CCOc1ccc(F)cc1)OCC ZINC000075767568 170314733 /nfs/dbraw/zinc/31/47/33/170314733.db2.gz VHPPTLPPNAXOMZ-UHFFFAOYSA-N 0 0 242.290 2.994 50 0 BFAARN CCOCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000002069469 170348386 /nfs/dbraw/zinc/34/83/86/170348386.db2.gz KJAFRBKCPFHYHF-UHFFFAOYSA-N 0 0 227.691 2.623 50 0 BFAARN CCOCCCC(=O)c1ccc(F)cc1 ZINC000037329922 170367754 /nfs/dbraw/zinc/36/77/54/170367754.db2.gz SGWVEUQFTIBIPG-UHFFFAOYSA-N 0 0 210.248 2.825 50 0 BFAARN CCOCCCNc1nc(-c2ccccc2)no1 ZINC000020996754 170384158 /nfs/dbraw/zinc/38/41/58/170384158.db2.gz ZZIYDKZVJOIYED-UHFFFAOYSA-N 0 0 247.298 2.575 50 0 BFAARN CCOCCOC(=O)Nc1ccccc1Cl ZINC000002161696 170416752 /nfs/dbraw/zinc/41/67/52/170416752.db2.gz FTXOEQTZRHUUQJ-UHFFFAOYSA-N 0 0 243.690 2.925 50 0 BFAARN CCOCCNc1ccnc2c(F)cccc12 ZINC000170608302 170417145 /nfs/dbraw/zinc/41/71/45/170417145.db2.gz UUYIDSVLQYABFB-UHFFFAOYSA-N 0 0 234.274 2.822 50 0 BFAARN CCOC[C@@H](C)Nc1ccc(Cl)nc1C ZINC000193481071 170433094 /nfs/dbraw/zinc/43/30/94/170433094.db2.gz KXCUDYFYIHXIGK-MRVPVSSYSA-N 0 0 228.723 2.880 50 0 BFAARN CCONC(=O)c1cc2ccccc2cc1OC ZINC000009725615 170467777 /nfs/dbraw/zinc/46/77/77/170467777.db2.gz VWGJUVYLZKFPCH-UHFFFAOYSA-N 0 0 245.278 2.530 50 0 BFAARN CCO[C@H](C)C(=O)Nc1ccccc1Cl ZINC000040523221 170501755 /nfs/dbraw/zinc/50/17/55/170501755.db2.gz UUOPHPJKQBTGFH-MRVPVSSYSA-N 0 0 227.691 2.704 50 0 BFAARN CCOc1ccc(Nc2cc(C)ncn2)cc1 ZINC000011902775 170554233 /nfs/dbraw/zinc/55/42/33/170554233.db2.gz JBLYVGPQPYNGST-UHFFFAOYSA-N 0 0 229.283 2.927 50 0 BFAARN CCOc1cccc(Oc2cccc(N)n2)c1 ZINC000033305813 170583279 /nfs/dbraw/zinc/58/32/79/170583279.db2.gz PPPNWVPFDWPNLR-UHFFFAOYSA-N 0 0 230.267 2.855 50 0 BFAARN CCOc1cccc2cc(C(=O)OC)oc21 ZINC000081213614 170588162 /nfs/dbraw/zinc/58/81/62/170588162.db2.gz NFSLBOPJUNQAHM-UHFFFAOYSA-N 0 0 220.224 2.618 50 0 BFAARN CCOc1ccccc1C(=O)Nc1nccs1 ZINC000000128818 170590876 /nfs/dbraw/zinc/59/08/76/170590876.db2.gz GRPQOZSPLANUIZ-UHFFFAOYSA-N 0 0 248.307 2.794 50 0 BFAARN CC[C@@H](C(C)=O)C(=O)Nc1ccccc1C ZINC000000141581 170672711 /nfs/dbraw/zinc/67/27/11/170672711.db2.gz XKFOZGNKUAYESR-NSHDSACASA-N 0 0 219.284 2.549 50 0 BFAARN CC[C@@H](C)C(=O)N[C@@H](C)c1csc(C)n1 ZINC000078562706 170681912 /nfs/dbraw/zinc/68/19/12/170681912.db2.gz DZXJOMHXXHNVRA-SFYZADRCSA-N 0 0 226.345 2.675 50 0 BFAARN CC[C@@H](C)C(=O)Nc1nc(C)c2c(n1)CCCC2 ZINC000032899107 170684291 /nfs/dbraw/zinc/68/42/91/170684291.db2.gz HTIHYANVEGKYGP-SECBINFHSA-N 0 0 247.342 2.648 50 0 BFAARN CC[C@@H](C)NC(=O)N1CCCCCCC1 ZINC000013745933 170741921 /nfs/dbraw/zinc/74/19/21/170741921.db2.gz NGZOPSUJVFCEIM-LLVKDONJSA-N 0 0 212.337 2.761 50 0 BFAARN CC[C@@H](C)NC(=O)c1cccc2ncccc21 ZINC000027339088 170748949 /nfs/dbraw/zinc/74/89/49/170748949.db2.gz SAJXLQGMDCLCCU-SNVBAGLBSA-N 0 0 228.295 2.763 50 0 BFAARN CC[C@@H](C)c1ccc(NC(C)=O)c(O)c1 ZINC000000373624 170804378 /nfs/dbraw/zinc/80/43/78/170804378.db2.gz CMBZLKNFJIVOAX-MRVPVSSYSA-N 0 0 207.273 2.864 50 0 BFAARN CC[C@@H](NCC(F)(F)F)c1c(C)noc1C ZINC000097111154 170891425 /nfs/dbraw/zinc/89/14/25/170891425.db2.gz DTMJHSHVVJGFKG-MRVPVSSYSA-N 0 0 236.237 2.894 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)c1ccc(C)nc1 ZINC000032903790 170962786 /nfs/dbraw/zinc/96/27/86/170962786.db2.gz IWCBSZOXPHLZBX-CYBMUJFWSA-N 0 0 232.327 2.795 50 0 BFAARN CC[C@@H]1CCc2c(=O)c3ccccc3n(C)c2O1 ZINC000000345804 171060383 /nfs/dbraw/zinc/06/03/83/171060383.db2.gz QWPPFJOKFAZOGR-SNVBAGLBSA-N 0 0 243.306 2.642 50 0 BFAARN CC[C@@](C)(CCO)NC(=O)c1cccc(C)c1C ZINC000097047572 171165810 /nfs/dbraw/zinc/16/58/10/171165810.db2.gz HZVJCKKZTLNBNI-HNNXBMFYSA-N 0 0 249.354 2.584 50 0 BFAARN CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC000062877558 171197683 /nfs/dbraw/zinc/19/76/83/171197683.db2.gz RYPAYHSHXCUXSE-OAHLLOKOSA-N 0 0 247.338 2.763 50 0 BFAARN CC[C@@]1(C)C[C@@H](c2csc(N)n2)CCO1 ZINC000000207014 171205663 /nfs/dbraw/zinc/20/56/63/171205663.db2.gz AECHTYJNUUZQBK-KWQFWETISA-N 0 0 226.345 2.788 50 0 biogenic BFAARN CC[C@@]1(C)Oc2ccc(NC(C)=O)cc2O1 ZINC000135267859 171208876 /nfs/dbraw/zinc/20/88/76/171208876.db2.gz NDPMKSQIRQXRCF-LBPRGKRZSA-N 0 0 221.256 2.542 50 0 BFAARN CC[C@@]1(C)OC(=O)N(c2ccc(C)cc2)[C@]1(C)O ZINC000000062826 171209163 /nfs/dbraw/zinc/20/91/63/171209163.db2.gz XMWMXPJLPCRTIY-ZIAGYGMSSA-N 0 0 249.310 2.829 50 0 BFAARN CC[C@@]1(c2cccc(O)c2)CCCCN(C)C1=O ZINC000000158153 171216679 /nfs/dbraw/zinc/21/66/79/171216679.db2.gz YFSJZMANJNLCOQ-HNNXBMFYSA-N 0 0 247.338 2.682 50 0 in-vitro BFAARN CC[C@@]1(c2cccc(OC)c2)CCCCNC1=O ZINC000000157630 171217085 /nfs/dbraw/zinc/21/70/85/171217085.db2.gz QHRHMXLAEBLVPG-HNNXBMFYSA-N 0 0 247.338 2.643 50 0 BFAARN CC[C@H](C(=O)Nc1ccn(C)n1)c1ccccc1 ZINC000022614142 171234647 /nfs/dbraw/zinc/23/46/47/171234647.db2.gz DYYMBYTUIXGVME-LBPRGKRZSA-N 0 0 243.310 2.552 50 0 BFAARN CC[C@H](C)C(=O)N(Cc1ccccn1)C1CC1 ZINC000032904014 171247165 /nfs/dbraw/zinc/24/71/65/171247165.db2.gz DKVJXLNHWCCVMS-NSHDSACASA-N 0 0 232.327 2.619 50 0 BFAARN CC[C@H](C)C(=O)NCCCc1ccccc1 ZINC000044895766 171251188 /nfs/dbraw/zinc/25/11/88/171251188.db2.gz AIMDRQSGPAJVJH-LBPRGKRZSA-N 0 0 219.328 2.782 50 0 BFAARN CC[C@H](C)C(=O)N[C@@H]1CCCc2occc21 ZINC000012913632 171253227 /nfs/dbraw/zinc/25/32/27/171253227.db2.gz GJDNNABSILAWNY-GXSJLCMTSA-N 0 0 221.300 2.819 50 0 BFAARN CC[C@H](C)C(=O)N[C@@H]1CCc2ccccc21 ZINC000012983962 171253368 /nfs/dbraw/zinc/25/33/68/171253368.db2.gz VZVVFOHUCRWRDO-GXFFZTMASA-N 0 0 217.312 2.836 50 0 BFAARN CC[C@H](C)C(=O)Nc1cccnc1Cl ZINC000000365461 171255396 /nfs/dbraw/zinc/25/53/96/171255396.db2.gz JBDGVJOEMJVTPU-ZETCQYMHSA-N 0 0 212.680 2.720 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000000373296 171255474 /nfs/dbraw/zinc/25/54/74/171255474.db2.gz WEEDBKYAROGPRB-VIFPVBQESA-N 0 0 207.273 2.680 50 0 BFAARN CC[C@H](C)C(=O)Nc1nc2c(s1)CCC2 ZINC000006394451 171256191 /nfs/dbraw/zinc/25/61/91/171256191.db2.gz OIQYKQZAEZVCCS-ZETCQYMHSA-N 0 0 224.329 2.616 50 0 BFAARN CC[C@H](C)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000000303632 171256624 /nfs/dbraw/zinc/25/66/24/171256624.db2.gz CJBVXYSKEHHGQU-ZETCQYMHSA-N 0 0 241.360 2.820 50 0 BFAARN CC[C@H](C)NC(=O)/C=C/c1ccc(F)cc1 ZINC000006120815 171322002 /nfs/dbraw/zinc/32/20/02/171322002.db2.gz KOOJCJQGKBMPMJ-ZKXNXJMVSA-N 0 0 221.275 2.754 50 0 BFAARN CC[C@H](C)NC(=O)CCc1ccc(OC)cc1 ZINC000006120894 171323462 /nfs/dbraw/zinc/32/34/62/171323462.db2.gz DVHNYHUAJALYRV-NSHDSACASA-N 0 0 235.327 2.543 50 0 BFAARN CC[C@H](C)NC(=O)CCc1ccccc1 ZINC000003161302 171324037 /nfs/dbraw/zinc/32/40/37/171324037.db2.gz BYDJCLVUFHDMRQ-NSHDSACASA-N 0 0 205.301 2.534 50 0 BFAARN CC[C@H](C)NC(=O)CSCC(C)(C)C ZINC000225640623 171327577 /nfs/dbraw/zinc/32/75/77/171327577.db2.gz RBCOTXLQAMXQIT-VIFPVBQESA-N 0 0 217.378 2.680 50 0 BFAARN CC[C@H](C)NC(=O)Cc1ccccc1Cl ZINC000012932675 171328462 /nfs/dbraw/zinc/32/84/62/171328462.db2.gz KFHWXVXOEVDERS-VIFPVBQESA-N 0 0 225.719 2.797 50 0 BFAARN CC[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000003110507 171335688 /nfs/dbraw/zinc/33/56/88/171335688.db2.gz LUMDRWWSKDYVFI-UHTWSYAYSA-N 0 0 217.312 2.705 50 0 BFAARN CC[C@H](C)NC(=O)[C@H]1C[C@H](C)Nc2ccccc21 ZINC000034651208 171335806 /nfs/dbraw/zinc/33/58/06/171335806.db2.gz RMFKCPZVZSAUNM-GVXVVHGQSA-N 0 0 246.354 2.889 50 0 BFAARN CC[C@H](C)NC(=O)c1cc(C)ccc1C ZINC000000514728 171336083 /nfs/dbraw/zinc/33/60/83/171336083.db2.gz DVDUWQXQKKZIAS-NSHDSACASA-N 0 0 205.301 2.832 50 0 BFAARN CCc1c(N)cnn1-c1ccccc1Cl ZINC000085634498 171743863 /nfs/dbraw/zinc/74/38/63/171743863.db2.gz VFUYHNTWNRRKAU-UHFFFAOYSA-N 0 0 221.691 2.670 50 0 BFAARN CCc1cc(-c2cc[nH]n2)ccc1NC(C)=O ZINC000067675175 171747224 /nfs/dbraw/zinc/74/72/24/171747224.db2.gz UVZBUNPUDGSTCO-UHFFFAOYSA-N 0 0 229.283 2.598 50 0 BFAARN CCc1cc(C(=O)Nc2ccc(F)c(C)c2)no1 ZINC000064555135 171755656 /nfs/dbraw/zinc/75/56/56/171755656.db2.gz OLTQBBUHZXCSAI-UHFFFAOYSA-N 0 0 248.257 2.937 50 0 BFAARN CCc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000016604364 171786843 /nfs/dbraw/zinc/78/68/43/171786843.db2.gz NJHCZZOEUKTJAV-SMDDNHRTSA-N 0 0 247.338 2.546 50 0 BFAARN CCc1cccc(NC(=O)Cn2cccc2)c1 ZINC000004101922 171859528 /nfs/dbraw/zinc/85/95/28/171859528.db2.gz VAHZXHXUGUXTNY-UHFFFAOYSA-N 0 0 228.295 2.689 50 0 BFAARN CCc1cccc(N[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000020315682 171863086 /nfs/dbraw/zinc/86/30/86/171863086.db2.gz PQHYKNMUGIDOOR-LLVKDONJSA-N 0 0 248.370 2.964 50 0 BFAARN CCc1cccc(OCC(=O)NC(C)(C)C)c1 ZINC000000145559 171864998 /nfs/dbraw/zinc/86/49/98/171864998.db2.gz KTKPTNODIBJTPZ-UHFFFAOYSA-N 0 0 235.327 2.543 50 0 BFAARN CCc1nc(SC)nc(SC)c1C ZINC000039101762 172001318 /nfs/dbraw/zinc/00/13/18/172001318.db2.gz NHEAUNXPKBMVKP-UHFFFAOYSA-N 0 0 214.359 2.791 50 0 BFAARN CCc1nc([C@H](C)NC(=O)C2CCC2)cs1 ZINC000083830251 172006310 /nfs/dbraw/zinc/00/63/10/172006310.db2.gz NJKIBHJXHSNWLE-QMMMGPOBSA-N 0 0 238.356 2.683 50 0 BFAARN CCc1nnc(CSc2nc(C)cs2)o1 ZINC000054154736 172055970 /nfs/dbraw/zinc/05/59/70/172055970.db2.gz NJOGLIGSFRONRD-UHFFFAOYSA-N 0 0 241.341 2.689 50 0 BFAARN CCc1nnc(NC(=O)C2CCCCC2)s1 ZINC000000040347 172058158 /nfs/dbraw/zinc/05/81/58/172058158.db2.gz WOEITAFJDXDSTM-UHFFFAOYSA-N 0 0 239.344 2.619 50 0 BFAARN CCc1noc(-c2ccc(N)c(Cl)c2)n1 ZINC000070602044 172072176 /nfs/dbraw/zinc/07/21/76/172072176.db2.gz AQYZXBKKFJDHJI-UHFFFAOYSA-N 0 0 223.663 2.535 50 0 BFAARN CCc1noc(C)c1C(=O)Nc1cccc(F)c1 ZINC000007940313 172075934 /nfs/dbraw/zinc/07/59/34/172075934.db2.gz ACDZFPQCRXEAIZ-UHFFFAOYSA-N 0 0 248.257 2.937 50 0 BFAARN CCc1noc([C@H](C)N[C@@H](C)c2ccc(C)o2)n1 ZINC000097374009 172092077 /nfs/dbraw/zinc/09/20/77/172092077.db2.gz JAAUNIKRWSKLFV-UWVGGRQHSA-N 0 0 249.314 2.945 50 0 BFAARN CCc1noc([C@H](C)N[C@H](C)c2ccc(C)o2)n1 ZINC000097374013 172092254 /nfs/dbraw/zinc/09/22/54/172092254.db2.gz JAAUNIKRWSKLFV-ZJUUUORDSA-N 0 0 249.314 2.945 50 0 BFAARN CCc1noc2ncnc(N3CCCCCC3)c12 ZINC000035537917 172093113 /nfs/dbraw/zinc/09/31/13/172093113.db2.gz UKSKEDXQLILTDY-UHFFFAOYSA-N 0 0 246.314 2.561 50 0 BFAARN CCc1oc(C(=O)[O-])cc1C[NH+]1CCCCC1 ZINC000000814648 172111223 /nfs/dbraw/zinc/11/12/23/172111223.db2.gz QXIHGKIFSYGCHB-UHFFFAOYSA-N 0 0 237.299 2.526 50 0 BFAARN CCc1sc(=N)n(C)c1-c1ccc(OC)cc1 ZINC000019894561 172128649 /nfs/dbraw/zinc/12/86/49/172128649.db2.gz WEPQZJRAISIKRX-UHFFFAOYSA-N 0 0 248.351 2.804 50 0 BFAARN CCc1sc(C=O)cc1Br ZINC000002573225 172129723 /nfs/dbraw/zinc/12/97/23/172129723.db2.gz BZWLZUAFDWILCJ-UHFFFAOYSA-N 0 0 219.103 2.886 50 0 BFAARN CCn1c(C)c(C(C)=O)c(SC)nc1=S ZINC000001181332 172134145 /nfs/dbraw/zinc/13/41/45/172134145.db2.gz FWIAMCUCCUQYOD-UHFFFAOYSA-N 0 0 242.369 2.865 50 0 BFAARN CCn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000057960563 172157914 /nfs/dbraw/zinc/15/79/14/172157914.db2.gz MJDKFVPKLAQDNS-UHFFFAOYSA-N 0 0 225.597 2.540 50 0 BFAARN CCn1cc(OCc2nc(C)c(C)s2)cn1 ZINC000170598614 172190752 /nfs/dbraw/zinc/19/07/52/172190752.db2.gz PIMHCFOEQQAPLF-UHFFFAOYSA-N 0 0 237.328 2.555 50 0 BFAARN CCn1ccnc1CN1CCc2sccc2C1 ZINC000225522150 172222779 /nfs/dbraw/zinc/22/27/79/172222779.db2.gz WIGOFGMOALFQCS-UHFFFAOYSA-N 0 0 247.367 2.523 50 0 BFAARN CCn1ccnc1SCc1cccc(OC)n1 ZINC000069807926 172228068 /nfs/dbraw/zinc/22/80/68/172228068.db2.gz KAIWPJYIYHTJQL-UHFFFAOYSA-N 0 0 249.339 2.599 50 0 BFAARN CN(C(=O)CC1=CCCCC1)c1ccccn1 ZINC000098012569 172301857 /nfs/dbraw/zinc/30/18/57/172301857.db2.gz PVCMMERPCYUCLG-UHFFFAOYSA-N 0 0 230.311 2.935 50 0 BFAARN CN(C(=O)CCc1ccccn1)c1ccccc1 ZINC000049680194 172305494 /nfs/dbraw/zinc/30/54/94/172305494.db2.gz NHAXQBMJMQKTKD-UHFFFAOYSA-N 0 0 240.306 2.677 50 0 BFAARN CN(C(=O)C[C@H]1C=CCC1)C1CCCC1 ZINC000032901612 172313764 /nfs/dbraw/zinc/31/37/64/172313764.db2.gz RWIDYGGSOJRYCY-NSHDSACASA-N 0 0 207.317 2.744 50 0 BFAARN CN(C(=O)Cc1cccs1)c1ccccc1 ZINC000000030601 172316086 /nfs/dbraw/zinc/31/60/86/172316086.db2.gz HBVBFBOBLWMUFF-UHFFFAOYSA-N 0 0 231.320 2.954 50 0 BFAARN CN(C(=O)c1cccc(F)c1)C1CCCC1 ZINC000036393547 172342527 /nfs/dbraw/zinc/34/25/27/172342527.db2.gz WTNDMEWTIYCUMZ-UHFFFAOYSA-N 0 0 221.275 2.840 50 0 BFAARN CN(C(=O)c1cccs1)c1ccc(O)cc1 ZINC000002561789 172344119 /nfs/dbraw/zinc/34/41/19/172344119.db2.gz LTCVSWVAJHCFCB-UHFFFAOYSA-N 0 0 233.292 2.730 50 0 BFAARN CN(C)C(=O)CCSc1ccc(Cl)cc1 ZINC000000380062 172361555 /nfs/dbraw/zinc/36/15/55/172361555.db2.gz UPLNGNUKRMZSFL-UHFFFAOYSA-N 0 0 243.759 2.910 50 0 BFAARN CN(C)C(=O)Cc1ccc2c3c(cccc31)CC2 ZINC000000438149 172375723 /nfs/dbraw/zinc/37/57/23/172375723.db2.gz QIDOYKNUPWZRQS-UHFFFAOYSA-N 0 0 239.318 2.569 50 0 BFAARN CN(C)C(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000069417381 172386689 /nfs/dbraw/zinc/38/66/89/172386689.db2.gz HBPJDEQXMGOHPU-CQSZACIVSA-N 0 0 247.338 2.775 50 0 BFAARN CN(C)C(=O)c1cc2ccccc2s1 ZINC000012881515 172388671 /nfs/dbraw/zinc/38/86/71/172388671.db2.gz RQFDAHKFBOOLEY-UHFFFAOYSA-N 0 0 205.282 2.603 50 0 BFAARN CN(C)C(=O)c1ccc2c3c(cccc31)CC2 ZINC000000245351 172390557 /nfs/dbraw/zinc/39/05/57/172390557.db2.gz KANMWOQGNYWIRL-UHFFFAOYSA-N 0 0 225.291 2.640 50 0 BFAARN CN(C)c1ccc(C(=S)N2CCCCC2)cc1 ZINC000000063325 172550959 /nfs/dbraw/zinc/55/09/59/172550959.db2.gz NXLJWTIDBNNMJC-UHFFFAOYSA-N 0 0 248.395 2.914 50 0 BFAARN CN(Cc1ccco1)Cc1ccc(Cl)nc1 ZINC000035206453 172850639 /nfs/dbraw/zinc/85/06/39/172850639.db2.gz RBOLRVUYNMRHDK-UHFFFAOYSA-N 0 0 236.702 2.960 50 0 BFAARN CN1CCO[C@@]12CCCC[C@@H]2Oc1ccccc1 ZINC000044125714 173105205 /nfs/dbraw/zinc/10/52/05/173105205.db2.gz IHEOZRCZMDIADV-LSDHHAIUSA-N 0 0 247.338 2.666 50 0 BFAARN CN1CC[C@H](Nc2ccc(C(C)(C)C)cc2)C1=O ZINC000071183401 173154392 /nfs/dbraw/zinc/15/43/92/173154392.db2.gz LKRWIZUGKMASIK-ZDUSSCGKSA-N 0 0 246.354 2.627 50 0 BFAARN CN1c2ccsc2C(=O)N2CCCCC[C@H]12 ZINC000096511633 173207782 /nfs/dbraw/zinc/20/77/82/173207782.db2.gz SLZDUWLKTVRKDI-SNVBAGLBSA-N 0 0 236.340 2.540 50 0 BFAARN CNC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000014862103 173283698 /nfs/dbraw/zinc/28/36/98/173283698.db2.gz JWSKRSYVGGDUJO-UHFFFAOYSA-N 0 0 225.291 2.642 50 0 BFAARN CNC(=O)NC(=O)Nc1cc(C(C)C)ccc1C ZINC000000401771 173287562 /nfs/dbraw/zinc/28/75/62/173287562.db2.gz WOOAKQRRDVKRFM-UHFFFAOYSA-N 0 0 249.314 2.579 50 0 BFAARN CNC(=O)Nc1ccc(Cl)cc1Cl ZINC000000396220 173293193 /nfs/dbraw/zinc/29/31/93/173293193.db2.gz USUCYXPXQRDEOJ-UHFFFAOYSA-N 0 0 219.071 2.745 50 0 BFAARN CNC(=O)Sc1ccccc1Cl ZINC000000079716 173293946 /nfs/dbraw/zinc/29/39/46/173293946.db2.gz DQVAQPOMIQEAQS-UHFFFAOYSA-N 0 0 201.678 2.772 50 0 BFAARN CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000089385843 173300222 /nfs/dbraw/zinc/30/02/22/173300222.db2.gz WIGOYGLWPDYVGT-DTWKUNHWSA-N 0 0 244.121 2.843 50 0 BFAARN CNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000098012985 173300341 /nfs/dbraw/zinc/30/03/41/173300341.db2.gz RDLJUWVBENIGFL-CHWSQXEVSA-N 0 0 217.312 2.660 50 0 BFAARN CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000071895986 173300410 /nfs/dbraw/zinc/30/04/10/173300410.db2.gz QSSKDZHXZOHFBL-HTQZYQBOSA-N 0 0 244.121 2.843 50 0 BFAARN CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000089385852 173308381 /nfs/dbraw/zinc/30/83/81/173308381.db2.gz SMZXNEOIMHKSIC-KGLIPLIRSA-N 0 0 225.291 2.689 50 0 BFAARN CNC(=O)c1c(C)cccc1NCC1CCC1 ZINC000095973473 173309117 /nfs/dbraw/zinc/30/91/17/173309117.db2.gz RARIALRIAISQJW-UHFFFAOYSA-N 0 0 232.327 2.567 50 0 BFAARN CNC(=O)c1cc(C)nc2ccc(Cl)cc21 ZINC000064553214 173309486 /nfs/dbraw/zinc/30/94/86/173309486.db2.gz LFTWDOILTRQGNW-UHFFFAOYSA-N 0 0 234.686 2.556 50 0 BFAARN CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000122481393 173309635 /nfs/dbraw/zinc/30/96/35/173309635.db2.gz NUMUPSUIMSQXJT-UHFFFAOYSA-N 0 0 237.608 2.718 50 0 BFAARN CNC(=O)c1ccc(N[C@@H](C)CC(C)C)cc1 ZINC000036957746 173311152 /nfs/dbraw/zinc/31/11/52/173311152.db2.gz PSYXXQWONITOCQ-NSHDSACASA-N 0 0 234.343 2.893 50 0 BFAARN CNC(=S)Nc1ccccc1C(F)(F)F ZINC000004810859 173316976 /nfs/dbraw/zinc/31/69/76/173316976.db2.gz KKRGFWKTZCXWSS-UHFFFAOYSA-N 0 0 234.246 2.622 50 0 BFAARN COC(=O)CCC(=O)Nc1c(C)cc(C)cc1C ZINC000000125228 173526501 /nfs/dbraw/zinc/52/65/01/173526501.db2.gz QRJAZFXQMYFFRD-UHFFFAOYSA-N 0 0 249.310 2.504 50 0 BFAARN COC(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1 ZINC000006521060 173789469 /nfs/dbraw/zinc/78/94/69/173789469.db2.gz JDKIVMBNEYBNAT-ZETCQYMHSA-N 0 0 248.200 2.646 50 0 BFAARN COC(=O)c1c(C)cc(Br)cc1C ZINC000059691037 173841386 /nfs/dbraw/zinc/84/13/86/173841386.db2.gz HBAMBTOWPNCADR-UHFFFAOYSA-N 0 0 243.100 2.853 50 0 BFAARN COC(=O)c1cc(Oc2ccccc2)ccc1N ZINC000038342384 173862178 /nfs/dbraw/zinc/86/21/78/173862178.db2.gz XZBNCQDGQQYUKB-UHFFFAOYSA-N 0 0 243.262 2.848 50 0 BFAARN COC(=O)c1ccc(-c2cccnc2)cc1 ZINC000006712780 173866441 /nfs/dbraw/zinc/86/64/41/173866441.db2.gz SMXKPSLCRALELV-UHFFFAOYSA-N 0 0 213.236 2.535 50 0 BFAARN COC(=O)c1cccc(-c2cccc(CO)c2)c1 ZINC000001256665 173893005 /nfs/dbraw/zinc/89/30/05/173893005.db2.gz LMMIVXXNHMOWKJ-UHFFFAOYSA-N 0 0 242.274 2.633 50 0 BFAARN COC(=O)c1csc(-c2ccccc2)n1 ZINC000021988742 173913998 /nfs/dbraw/zinc/91/39/98/173913998.db2.gz VGWOUTBYGICCLO-UHFFFAOYSA-N 0 0 219.265 2.597 50 0 BFAARN COC(=O)c1ncoc1-c1ccccc1Cl ZINC000016124280 173917683 /nfs/dbraw/zinc/91/76/83/173917683.db2.gz OPVGROBAFGODPL-UHFFFAOYSA-N 0 0 237.642 2.782 50 0 BFAARN COC(=O)c1sc(C)cc1Br ZINC000066322817 173922512 /nfs/dbraw/zinc/92/25/12/173922512.db2.gz MJFMUPYFABQHRA-UHFFFAOYSA-N 0 0 235.102 2.606 50 0 BFAARN COC1(OC)C2(Cl)CCC1(Cl)CC2 ZINC000000345414 174009682 /nfs/dbraw/zinc/00/96/82/174009682.db2.gz FPGSNQSYIQVOCU-UHFFFAOYSA-N 0 0 225.115 2.518 50 0 BFAARN COCC(=O)c1cc(Cl)cc(Cl)c1 ZINC000043504778 174063190 /nfs/dbraw/zinc/06/31/90/174063190.db2.gz ZRHPJNYKYGIVLO-UHFFFAOYSA-N 0 0 219.067 2.823 50 0 BFAARN COCC1(O)c2ccccc2-c2ccccc21 ZINC000261507793 174113841 /nfs/dbraw/zinc/11/38/41/174113841.db2.gz MJQFWBUCFFWTOP-UHFFFAOYSA-N 0 0 226.275 2.549 50 0 BFAARN COCCC(=O)N(c1ccccc1)C1CCCC1 ZINC000071888878 174122076 /nfs/dbraw/zinc/12/20/76/174122076.db2.gz ZZVPNXYNAFQRLM-UHFFFAOYSA-N 0 0 247.338 2.999 50 0 BFAARN COCCCCC(=O)NC1CCC(C)(C)CC1 ZINC000096423058 174172811 /nfs/dbraw/zinc/17/28/11/174172811.db2.gz BFIZLOIDIMGWRH-UHFFFAOYSA-N 0 0 241.375 2.888 50 0 BFAARN COCCCCN(C#N)c1ccc(F)cc1 ZINC000252501516 174187225 /nfs/dbraw/zinc/18/72/25/174187225.db2.gz UGXKTEYZIFTVMM-UHFFFAOYSA-N 0 0 222.263 2.540 50 0 BFAARN COCCCOc1cc(F)cc(F)c1C(C)=O ZINC000170602138 174256684 /nfs/dbraw/zinc/25/66/84/174256684.db2.gz JGDFANKDKCPGFE-UHFFFAOYSA-N 0 0 244.237 2.583 50 0 BFAARN COCCCOc1ccc(C(F)(F)F)cc1N ZINC000014629469 174257226 /nfs/dbraw/zinc/25/72/26/174257226.db2.gz ZUBMKEJGCSGRBC-UHFFFAOYSA-N 0 0 249.232 2.703 50 0 BFAARN COCCCn1cnc2cc(Cl)ccc21 ZINC000040402739 174267879 /nfs/dbraw/zinc/26/78/79/174267879.db2.gz BXMCIJLAMSQJRF-UHFFFAOYSA-N 0 0 224.691 2.726 50 0 BFAARN COCCNc1nc(-c2cccs2)cs1 ZINC000006559422 174341827 /nfs/dbraw/zinc/34/18/27/174341827.db2.gz NUJSKZSEQMLKBX-UHFFFAOYSA-N 0 0 240.353 2.930 50 0 BFAARN COCCOc1cc(C)nc2ccccc21 ZINC000225407461 174367954 /nfs/dbraw/zinc/36/79/54/174367954.db2.gz MRFGTLQKFNIIDV-UHFFFAOYSA-N 0 0 217.268 2.568 50 0 BFAARN COCCSc1nc(C)c(C)n1CC(C)C ZINC000040479382 174378244 /nfs/dbraw/zinc/37/82/44/174378244.db2.gz KUOYZEXZONEESR-UHFFFAOYSA-N 0 0 242.388 2.894 50 0 BFAARN COC[C@H](C)OC(=O)c1ccccc1Cl ZINC000001586549 174553535 /nfs/dbraw/zinc/55/35/35/174553535.db2.gz BMBFQEHWEOSSHA-QMMMGPOBSA-N 0 0 228.675 2.532 50 0 BFAARN COCc1cccc(NC(=O)C2CCCC2)c1 ZINC000029143958 174632551 /nfs/dbraw/zinc/63/25/51/174632551.db2.gz ICGDEMLQGNBOSA-UHFFFAOYSA-N 0 0 233.311 2.962 50 0 BFAARN CO[C@@](F)(Cl)C(Cl)(Cl)Cl ZINC000008698333 174790674 /nfs/dbraw/zinc/79/06/74/174790674.db2.gz WMHOLVCTBNVLOE-GSVOUGTGSA-N 0 0 215.866 2.865 50 0 BFAARN CO[C@H](C)CCOC(=O)c1ccc(SC)o1 ZINC000096442888 174819551 /nfs/dbraw/zinc/81/95/51/174819551.db2.gz ZKXMVKFSGOGSDB-MRVPVSSYSA-N 0 0 244.312 2.583 50 0 BFAARN COc1cc(C(=O)Nc2cc(C)on2)ccc1C ZINC000009314067 174948953 /nfs/dbraw/zinc/94/89/53/174948953.db2.gz LMCPWMZLHZJRNO-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1cc(C(C)=O)ccc1Br ZINC000084506934 174950394 /nfs/dbraw/zinc/95/03/94/174950394.db2.gz IDLRGDVPTYMFSL-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN COc1cc(C(F)(F)F)ccc1C=O ZINC000002528358 174952483 /nfs/dbraw/zinc/95/24/83/174952483.db2.gz KKESHHUPAFNMPH-UHFFFAOYSA-N 0 0 204.147 2.527 50 0 BFAARN COc1cc2c(cc1C=O)CCC(C)(C)O2 ZINC000000337046 175021269 /nfs/dbraw/zinc/02/12/69/175021269.db2.gz GJJMKJVTIZAUSF-UHFFFAOYSA-N 0 0 220.268 2.611 50 0 BFAARN COc1cc2c(cc1OC)C(=O)C[C@H](C)S2 ZINC000000384056 175024607 /nfs/dbraw/zinc/02/46/07/175024607.db2.gz DEWXZFBKYPVHDF-ZETCQYMHSA-N 0 0 238.308 2.771 50 0 BFAARN COc1ccc(-c2cccc(NC(C)=O)c2)cn1 ZINC000067841333 175035206 /nfs/dbraw/zinc/03/52/06/175035206.db2.gz UTDFUIDRRJVTTE-UHFFFAOYSA-N 0 0 242.278 2.716 50 0 BFAARN COc1ccc(-c2ccccc2N)c(OC)c1 ZINC000000478142 175035356 /nfs/dbraw/zinc/03/53/56/175035356.db2.gz RNXBLMVGSDCADN-UHFFFAOYSA-N 0 0 229.279 2.953 50 0 BFAARN COc1ccc(-c2cn3c(n2)SCC3)cc1 ZINC000000124104 175036005 /nfs/dbraw/zinc/03/60/05/175036005.db2.gz WJVODFDKCHPAJF-UHFFFAOYSA-N 0 0 232.308 2.664 50 0 BFAARN COc1ccc(-c2nc3ncccc3o2)cc1 ZINC000028814893 175040890 /nfs/dbraw/zinc/04/08/90/175040890.db2.gz CCKOIWFYUDOXCK-UHFFFAOYSA-N 0 0 226.235 2.898 50 0 BFAARN COc1ccc(-c2nnc(C)c3nocc32)cc1 ZINC000001397488 175041844 /nfs/dbraw/zinc/04/18/44/175041844.db2.gz UKOMGFGVJPNCGE-UHFFFAOYSA-N 0 0 241.250 2.602 50 0 BFAARN COc1ccc(/C=C/C(=O)NC2CCCC2)cc1 ZINC000001466488 175047193 /nfs/dbraw/zinc/04/71/93/175047193.db2.gz DPXMBKNTSYJSCJ-DHZHZOJOSA-N 0 0 245.322 2.767 50 0 BFAARN COc1ccc(C(=O)NC2CCCC2)cc1C ZINC000013945944 175058788 /nfs/dbraw/zinc/05/87/88/175058788.db2.gz QLOQFFSOGJTEJE-UHFFFAOYSA-N 0 0 233.311 2.676 50 0 BFAARN COc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000000345991 175061324 /nfs/dbraw/zinc/06/13/24/175061324.db2.gz GEFZSLMGZREDTO-UHFFFAOYSA-N 0 0 241.290 2.625 50 0 BFAARN COc1ccc(C(=O)Nc2cc(C)ccn2)cc1 ZINC000000408591 175063613 /nfs/dbraw/zinc/06/36/13/175063613.db2.gz GFKWLGIYUXUVEZ-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(C(=O)Nc2nc(C)cs2)cc1 ZINC000001200710 175064463 /nfs/dbraw/zinc/06/44/63/175064463.db2.gz NBVYGSRARYTPCT-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 BFAARN COc1ccc(C(C)=O)cc1CN1CCCCC1 ZINC000000198231 175068352 /nfs/dbraw/zinc/06/83/52/175068352.db2.gz OSNILPMOSNGHLC-UHFFFAOYSA-N 0 0 247.338 2.884 50 0 BFAARN COc1ccc(C)cc1-n1cc[nH]c1=S ZINC000026422925 175072911 /nfs/dbraw/zinc/07/29/11/175072911.db2.gz VUGMEEFTNYVHIM-UHFFFAOYSA-N 0 0 220.297 2.852 50 0 BFAARN COc1ccc(C)cc1C(=O)NC1CCCC1 ZINC000008076296 175073029 /nfs/dbraw/zinc/07/30/29/175073029.db2.gz AIWKTNBHGDGIFJ-UHFFFAOYSA-N 0 0 233.311 2.676 50 0 BFAARN COc1ccc(C)cc1NC(=O)c1ccccn1 ZINC000003567206 175077571 /nfs/dbraw/zinc/07/75/71/175077571.db2.gz IYKBWSILUXPFGC-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(C)cc1NC(=O)c1coc(C)n1 ZINC000022538237 175077580 /nfs/dbraw/zinc/07/75/80/175077580.db2.gz YGYYDLIGVYVMFO-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1ccc(CCCNC(=O)C(C)(C)C)cc1 ZINC000036113230 175089594 /nfs/dbraw/zinc/08/95/94/175089594.db2.gz VYIOEOSFZMZXDA-UHFFFAOYSA-N 0 0 249.354 2.790 50 0 BFAARN COc1ccc(CC[C@@H](O)c2ccccn2)cc1 ZINC000001398959 175094098 /nfs/dbraw/zinc/09/40/98/175094098.db2.gz KHBYPDWUMSADNS-OAHLLOKOSA-N 0 0 243.306 2.756 50 0 BFAARN COc1ccc(CNCc2ccco2)c(OC)c1 ZINC000004546097 175108537 /nfs/dbraw/zinc/10/85/37/175108537.db2.gz SJCNJIJHYHXQGR-UHFFFAOYSA-N 0 0 247.294 2.587 50 0 BFAARN COc1ccc(Cl)cc1C(=O)NC(C)(C)C ZINC000005383655 175119819 /nfs/dbraw/zinc/11/98/19/175119819.db2.gz TZXXWDNICCMSHH-UHFFFAOYSA-N 0 0 241.718 2.877 50 0 BFAARN COc1ccc(Cl)cc1[C@@H](O)C(F)(F)F ZINC000008324324 175121646 /nfs/dbraw/zinc/12/16/46/175121646.db2.gz HIXYZNAEMJPIPE-MRVPVSSYSA-N 0 0 240.608 2.944 50 0 BFAARN COc1ccc(N)cc1NC(=O)C1CCCCC1 ZINC000008703561 175138394 /nfs/dbraw/zinc/13/83/94/175138394.db2.gz RUANFLFAHDPNLN-UHFFFAOYSA-N 0 0 248.326 2.796 50 0 BFAARN COc1ccc(NC(=O)C(C)C)c2cccnc12 ZINC000015840673 175140455 /nfs/dbraw/zinc/14/04/55/175140455.db2.gz HJIJZEIGEBXHML-UHFFFAOYSA-N 0 0 244.294 2.838 50 0 BFAARN COc1ccc(NC(=O)C=C(C)C)c(OC)c1 ZINC000000145616 175140725 /nfs/dbraw/zinc/14/07/25/175140725.db2.gz DZBXAHATMWOJBT-UHFFFAOYSA-N 0 0 235.283 2.609 50 0 BFAARN COc1ccc(NC(=O)CC(C)C)cc1F ZINC000040542262 175141100 /nfs/dbraw/zinc/14/11/00/175141100.db2.gz DLOSFGOSCDZFLP-UHFFFAOYSA-N 0 0 225.263 2.819 50 0 BFAARN COc1ccc(NC(=O)NC(C)(C)C)cc1 ZINC000006701665 175143461 /nfs/dbraw/zinc/14/34/61/175143461.db2.gz ZWDBOCGAGVAAIB-UHFFFAOYSA-N 0 0 222.288 2.615 50 0 BFAARN COc1ccc(NC(=O)Nc2nccs2)cc1 ZINC000000253507 175144964 /nfs/dbraw/zinc/14/49/64/175144964.db2.gz ZRSKTGHUIKKPAF-UHFFFAOYSA-N 0 0 249.295 2.796 50 0 BFAARN COc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 ZINC000007652324 175145261 /nfs/dbraw/zinc/14/52/61/175145261.db2.gz SPEBUFWPYUKDBU-LLVKDONJSA-N 0 0 231.295 2.990 50 0 BFAARN COc1ccc(NC(=O)c2ccccc2)cc1 ZINC000000128498 175147895 /nfs/dbraw/zinc/14/78/95/175147895.db2.gz KEEBHMMBUBEEOV-UHFFFAOYSA-N 0 0 227.263 2.948 50 0 biogenic BFAARN COc1ccc(Nc2nc(C)cc(C)n2)cc1 ZINC000003159490 175156767 /nfs/dbraw/zinc/15/67/67/175156767.db2.gz QWXCCRCTIXSUFC-UHFFFAOYSA-N 0 0 229.283 2.846 50 0 BFAARN COc1ccc(O)c(F)c1OC1CCCC1 ZINC000261494482 175159233 /nfs/dbraw/zinc/15/92/33/175159233.db2.gz YQCCGJOZKIQMPS-UHFFFAOYSA-N 0 0 226.247 2.861 50 0 BFAARN COc1ccc(OC(=O)/C=C/c2ccco2)cc1 ZINC000000499099 175161867 /nfs/dbraw/zinc/16/18/67/175161867.db2.gz NMIXTHNWGHUJQZ-CMDGGOBGSA-N 0 0 244.246 2.907 50 0 BFAARN COc1ccc(OC(=O)OCC(C)C)cc1 ZINC000000276828 175162954 /nfs/dbraw/zinc/16/29/54/175162954.db2.gz DVHVQXDNFHZQJY-UHFFFAOYSA-N 0 0 224.256 2.867 50 0 BFAARN COc1ccc(OC)c(-c2ccc(=S)[nH]n2)c1 ZINC000041300672 175163648 /nfs/dbraw/zinc/16/36/48/175163648.db2.gz SRDZPHUZLBEPPV-UHFFFAOYSA-N 0 0 248.307 2.823 50 0 BFAARN COc1ccc([C@@H](C)Nc2ncccn2)cc1F ZINC000091849103 175177848 /nfs/dbraw/zinc/17/78/48/175177848.db2.gz YMKOZCVPAINFRT-SECBINFHSA-N 0 0 247.273 2.797 50 0 BFAARN COc1ccc([C@H](O)c2cccc(F)c2)cc1 ZINC000004255927 175194010 /nfs/dbraw/zinc/19/40/10/175194010.db2.gz HDWVVRSGQJYZPH-AWEZNQCLSA-N 0 0 232.254 2.916 50 0 BFAARN COc1ccc([C@H]2CCCC[C@H]2O)cc1OC ZINC000001431469 175194621 /nfs/dbraw/zinc/19/46/21/175194621.db2.gz WJLUOTSDBABMCM-VXGBXAGGSA-N 0 0 236.311 2.722 50 0 BFAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3O ZINC000000202405 175201963 /nfs/dbraw/zinc/20/19/63/175201963.db2.gz RGKGREVBQIMFDJ-LBPRGKRZSA-N 0 0 217.268 2.546 50 0 BFAARN COc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000000036407 175203672 /nfs/dbraw/zinc/20/36/72/175203672.db2.gz TVWLCJVDJFYZSD-UHFFFAOYSA-N 0 0 218.252 2.727 50 0 biogenic BFAARN COc1ccc2c(c1)CCC[C@H]2NC(=O)C(C)C ZINC000072442080 175207764 /nfs/dbraw/zinc/20/77/64/175207764.db2.gz BEWCVWAZFVTUKD-CQSZACIVSA-N 0 0 247.338 2.845 50 0 BFAARN COc1ccc2c(c1)CC[C@]1(C)C2=CC[C@@H]1O ZINC000071774146 175209854 /nfs/dbraw/zinc/20/98/54/175209854.db2.gz CVDBQWXONDFFGQ-LSDHHAIUSA-N 0 0 230.307 2.796 50 0 BFAARN COc1ccc2c(c1)S[C@@H](C)CC2=O ZINC000000384049 175213276 /nfs/dbraw/zinc/21/32/76/175213276.db2.gz RXQSTOOILJTLMH-ZETCQYMHSA-N 0 0 208.282 2.762 50 0 BFAARN COc1ccc2c(c1)c(C(C)=O)c(C)n2C ZINC000000186171 175218078 /nfs/dbraw/zinc/21/80/78/175218078.db2.gz ZUMAKYZWDBDHIG-UHFFFAOYSA-N 0 0 217.268 2.698 50 0 BFAARN COc1ccc2c(c1)[nH]c1c2CCN(N=O)[C@H]1C ZINC000004773143 175223490 /nfs/dbraw/zinc/22/34/90/175223490.db2.gz NPWLMIGFSUJVOK-QMMMGPOBSA-N 0 0 245.282 2.777 50 0 BFAARN COc1ccc2nc(SC)nc(C)c2c1 ZINC000000261056 175228932 /nfs/dbraw/zinc/22/89/32/175228932.db2.gz SEFHOIOTSQLTMA-UHFFFAOYSA-N 0 0 220.297 2.669 50 0 BFAARN COc1cccc(-c2ccccn2)c1F ZINC000065372552 175234952 /nfs/dbraw/zinc/23/49/52/175234952.db2.gz UGEXOBVHGMTWML-UHFFFAOYSA-N 0 0 203.216 2.896 50 0 BFAARN COc1cccc(-c2nc3ccccc3n2O)c1 ZINC000004002462 175237812 /nfs/dbraw/zinc/23/78/12/175237812.db2.gz JWMBBMFHEMDBCG-UHFFFAOYSA-N 0 0 240.262 2.949 50 0 BFAARN COc1cccc(C(=O)c2cccc(C)n2)c1 ZINC000045028461 175247634 /nfs/dbraw/zinc/24/76/34/175247634.db2.gz LQIWJLIRWYMFTC-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1cccc(CCC(=O)C2CC2)c1 ZINC000002516538 175251155 /nfs/dbraw/zinc/25/11/55/175251155.db2.gz JSHFTYDJDYORSC-UHFFFAOYSA-N 0 0 204.269 2.607 50 0 BFAARN COc1cccc(CNc2ccc(Cl)nn2)c1 ZINC000037977869 175269003 /nfs/dbraw/zinc/26/90/03/175269003.db2.gz MSGHGRCTYKVJHZ-UHFFFAOYSA-N 0 0 249.701 2.751 50 0 BFAARN COc1cccc(CSc2nccn2C)c1 ZINC000006447832 175270364 /nfs/dbraw/zinc/27/03/64/175270364.db2.gz DKSZBGKSWCFJLQ-UHFFFAOYSA-N 0 0 234.324 2.721 50 0 BFAARN COc1cccc(Cc2nsc(Cl)n2)c1 ZINC000047218914 175273368 /nfs/dbraw/zinc/27/33/68/175273368.db2.gz QJEPSSRHPXZRPX-UHFFFAOYSA-N 0 0 240.715 2.791 50 0 BFAARN COc1cccc(F)c1[C@H](C)Nc1ncccn1 ZINC000078420783 175274408 /nfs/dbraw/zinc/27/44/08/175274408.db2.gz YXFMLUIJOBWCKS-VIFPVBQESA-N 0 0 247.273 2.797 50 0 BFAARN COc1cccc(NC(=O)c2ccccc2N)c1 ZINC000003326552 175278563 /nfs/dbraw/zinc/27/85/63/175278563.db2.gz SWPJJIVWFKEGKP-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1cccc(Oc2cc(Cl)ncn2)c1 ZINC000037342090 175284861 /nfs/dbraw/zinc/28/48/61/175284861.db2.gz GMSWOTHHSIUXIJ-UHFFFAOYSA-N 0 0 236.658 2.931 50 0 BFAARN COc1cccc(SCc2nc(C)no2)c1 ZINC000040051816 175286066 /nfs/dbraw/zinc/28/60/66/175286066.db2.gz YEDSZWXXDWGGCH-UHFFFAOYSA-N 0 0 236.296 2.679 50 0 BFAARN COc1cccc([C@@H]2CC(=O)Nc3n[nH]cc32)c1 ZINC000020731091 175289844 /nfs/dbraw/zinc/28/98/44/175289844.db2.gz GBGKEWVMWRRXFB-JTQLQIEISA-N 0 0 243.266 2.542 50 0 BFAARN COc1cccc([C@@H]2CCCCC2=O)c1 ZINC000000389802 175289996 /nfs/dbraw/zinc/28/99/96/175289996.db2.gz KACQSVYTBQDRGP-LBPRGKRZSA-N 0 0 204.269 2.922 50 0 BFAARN COc1cccc([C@H]2CCCC[C@H]2O)c1 ZINC000001765733 175295586 /nfs/dbraw/zinc/29/55/86/175295586.db2.gz MXBZVUAIQKNHIE-CHWSQXEVSA-N 0 0 206.285 2.714 50 0 BFAARN COc1cccc2c(Cl)nc(Cl)nc12 ZINC000026894502 175298830 /nfs/dbraw/zinc/29/88/30/175298830.db2.gz DZNPOCHJCGTGCP-UHFFFAOYSA-N 0 0 229.066 2.945 50 0 BFAARN COc1cccc2cc(C=O)c(Cl)nc21 ZINC000011850785 175306755 /nfs/dbraw/zinc/30/67/55/175306755.db2.gz TWGAHTGLODITOW-UHFFFAOYSA-N 0 0 221.643 2.709 50 0 BFAARN COc1cccc2c3c(c(C)nc12)C[C@H](C)O3 ZINC000000245180 175306814 /nfs/dbraw/zinc/30/68/14/175306814.db2.gz MZPYLXKRBJRNSK-QMMMGPOBSA-N 0 0 229.279 2.875 50 0 biogenic BFAARN COc1ccccc1C(=O)N(C)Cc1ccco1 ZINC000033028172 175316604 /nfs/dbraw/zinc/31/66/04/175316604.db2.gz VXSYUWUKESGQJO-UHFFFAOYSA-N 0 0 245.278 2.560 50 0 BFAARN COc1ccccc1C(=O)NC1CCCCC1 ZINC000054201858 175318128 /nfs/dbraw/zinc/31/81/28/175318128.db2.gz RCJLZEYLBMQMFQ-UHFFFAOYSA-N 0 0 233.311 2.758 50 0 BFAARN COc1ccccc1C(=O)Nc1c(C)noc1C ZINC000084025579 175318891 /nfs/dbraw/zinc/31/88/91/175318891.db2.gz QGEMHOVOYAKJEN-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1ccccc1C(=O)Oc1ccccc1 ZINC000000304004 175319136 /nfs/dbraw/zinc/31/91/36/175319136.db2.gz LZRFQYZCMVMADF-UHFFFAOYSA-N 0 0 228.247 2.914 50 0 BFAARN COc1ccccc1N(C)Cc1c(C)noc1C ZINC000052190336 175335932 /nfs/dbraw/zinc/33/59/32/175335932.db2.gz INIAMLWISRJASJ-UHFFFAOYSA-N 0 0 246.310 2.936 50 0 BFAARN COc1ccccc1NC(=O)c1ccccc1N ZINC000000290999 175336537 /nfs/dbraw/zinc/33/65/37/175336537.db2.gz VESKUPCSIUQXPZ-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1ccccc1NC(=O)c1ccoc1 ZINC000008727951 175336538 /nfs/dbraw/zinc/33/65/38/175336538.db2.gz MPDIBRPVAHRLPD-UHFFFAOYSA-N 0 0 217.224 2.541 50 0 BFAARN COc1ccccc1NC(=O)c1ccoc1C ZINC000006254745 175337017 /nfs/dbraw/zinc/33/70/17/175337017.db2.gz DNJHONSIVOPDLF-UHFFFAOYSA-N 0 0 231.251 2.849 50 0 BFAARN COc1ccccc1NC(=O)c1ccc(C)nc1 ZINC000032895344 175337137 /nfs/dbraw/zinc/33/71/37/175337137.db2.gz QTHPBTRSVKEGBP-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccnc(-c2c[nH]c3ccc(C)cc32)n1 ZINC000067872767 175357224 /nfs/dbraw/zinc/35/72/24/175357224.db2.gz RERCHPWMXIXRKS-UHFFFAOYSA-N 0 0 239.278 2.942 50 0 BFAARN CSCCC(=O)Nc1ccc2c(c1)CCC2 ZINC000009478859 175469324 /nfs/dbraw/zinc/46/93/24/175469324.db2.gz LFGNZMHABPSGLZ-UHFFFAOYSA-N 0 0 235.352 2.867 50 0 BFAARN CSc1ccccc1NC(=O)c1cc(C)no1 ZINC000006738045 175583883 /nfs/dbraw/zinc/58/38/83/175583883.db2.gz VZCFEOJNESSKHY-UHFFFAOYSA-N 0 0 248.307 2.957 50 0 BFAARN C[C@@H](NC(=O)c1ccccc1N)c1ccccc1 ZINC000000150134 175850670 /nfs/dbraw/zinc/85/06/70/175850670.db2.gz KBRHMOXICLSVTL-LLVKDONJSA-N 0 0 240.306 2.760 50 0 BFAARN C[C@@H](NC=O)c1ccc(Cl)cc1Cl ZINC000009434554 175863093 /nfs/dbraw/zinc/86/30/93/175863093.db2.gz YSTFKRRJKIBZRK-ZCFIWIBFSA-N 0 0 218.083 2.800 50 0 BFAARN C[C@@H](Nc1cnn(C)c1)c1ncc(C(C)(C)C)o1 ZINC000097377274 175936948 /nfs/dbraw/zinc/93/69/48/175936948.db2.gz MZSDERBIOZLRJD-SECBINFHSA-N 0 0 248.330 2.879 50 0 BFAARN C[C@@H](O)c1c(F)cc(Br)cc1F ZINC000075852785 175997372 /nfs/dbraw/zinc/99/73/72/175997372.db2.gz UTNQRIXFILAHIG-SCSAIBSYSA-N 0 0 237.043 2.781 50 0 BFAARN C[C@@H](Sc1ccccc1Cl)C(=O)N(C)C ZINC000032741545 176009905 /nfs/dbraw/zinc/00/99/05/176009905.db2.gz TVMQTVFEEXGLGY-MRVPVSSYSA-N 0 0 243.759 2.909 50 0 BFAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)C(F)F ZINC000219453086 176014729 /nfs/dbraw/zinc/01/47/29/176014729.db2.gz ZVOWMUSOQFOFEI-ZETCQYMHSA-N 0 0 231.217 2.610 50 0 BFAARN C[C@@H](c1nc(-c2cccs2)no1)N1CCCC1 ZINC000065565744 176038068 /nfs/dbraw/zinc/03/80/68/176038068.db2.gz SVFONNXIYMKIID-VIFPVBQESA-N 0 0 249.339 2.955 50 0 BFAARN C[C@@H](c1nc(C2CC2)no1)N1CCC[C@@H](C)C1 ZINC000051150765 176038238 /nfs/dbraw/zinc/03/82/38/176038238.db2.gz CGMAYWKBUIMRMM-ZJUUUORDSA-N 0 0 235.331 2.740 50 0 BFAARN C[C@@H](c1nc(-c2cccs2)no1)n1cccn1 ZINC000020601792 176038472 /nfs/dbraw/zinc/03/84/72/176038472.db2.gz DTMCLMJHDQIQNR-QMMMGPOBSA-N 0 0 246.295 2.604 50 0 BFAARN C[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccccc1 ZINC000000247227 176041432 /nfs/dbraw/zinc/04/14/32/176041432.db2.gz ALAYLHOMFJAZKV-GXSJLCMTSA-N 0 0 232.279 2.516 50 0 BFAARN C[C@@H]1CCCCN1C(=O)NC1CCCCC1 ZINC000006675354 176068211 /nfs/dbraw/zinc/06/82/11/176068211.db2.gz AFXMCRGJJXTSPO-LLVKDONJSA-N 0 0 224.348 2.903 50 0 BFAARN C[C@@H]1CCCCN1C(=O)c1ccc(F)cc1 ZINC000000029778 176068955 /nfs/dbraw/zinc/06/89/55/176068955.db2.gz XUICTSGWQFABFN-SNVBAGLBSA-N 0 0 221.275 2.840 50 0 BFAARN C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000008730781 176073037 /nfs/dbraw/zinc/07/30/37/176073037.db2.gz CRQNAJHQJCQBRW-LLVKDONJSA-N 0 0 233.311 2.759 50 0 BFAARN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccccn1 ZINC000032787665 176078228 /nfs/dbraw/zinc/07/82/28/176078228.db2.gz YDVCNRVXMIOIGS-YPMHNXCESA-N 0 0 232.327 2.732 50 0 BFAARN C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1CCCO1 ZINC000046125891 176078740 /nfs/dbraw/zinc/07/87/40/176078740.db2.gz BBQWZIJITHOIIS-AGIUHOORSA-N 0 0 239.359 2.641 50 0 BFAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1 ZINC000000971904 176079692 /nfs/dbraw/zinc/07/96/92/176079692.db2.gz BDVZXZBKLDUQNY-YPMHNXCESA-N 0 0 217.312 2.995 50 0 BFAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccnc(F)c1 ZINC000041038709 176079857 /nfs/dbraw/zinc/07/98/57/176079857.db2.gz XAUJYEPLUXYYNZ-KOLCDFICSA-N 0 0 236.290 2.529 50 0 BFAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000000971902 176087328 /nfs/dbraw/zinc/08/73/28/176087328.db2.gz BDVZXZBKLDUQNY-DGCLKSJQSA-N 0 0 217.312 2.995 50 0 BFAARN C[C@@H]1CCCN(C(=O)CCNc2ccccc2)C1 ZINC000058264920 176091710 /nfs/dbraw/zinc/09/17/10/176091710.db2.gz BFBNZVYCANYACQ-CYBMUJFWSA-N 0 0 246.354 2.747 50 0 BFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H]1CCCS1 ZINC000245316838 176115123 /nfs/dbraw/zinc/11/51/23/176115123.db2.gz KUICHCGNVMQXBC-GMTAPVOTSA-N 0 0 227.373 2.672 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccncc2)[C@@H]1C ZINC000004672452 176122705 /nfs/dbraw/zinc/12/27/05/176122705.db2.gz SHKLDZKVVIWFGH-NQBHXWOUSA-N 0 0 232.327 2.636 50 0 BFAARN C[C@@H]1CCO[C@@H](c2coc3ccccc3c2=O)O1 ZINC000000482563 176190635 /nfs/dbraw/zinc/19/06/35/176190635.db2.gz ADXCKCOKWMDXRE-YMTOWFKASA-N 0 0 246.262 2.617 50 0 BFAARN C[C@@H]1CCO[C@H](c2coc3ccccc3c2=O)O1 ZINC000000482566 176193063 /nfs/dbraw/zinc/19/30/63/176193063.db2.gz ADXCKCOKWMDXRE-OTYXRUKQSA-N 0 0 246.262 2.617 50 0 BFAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 ZINC000004894194 176218274 /nfs/dbraw/zinc/21/82/74/176218274.db2.gz KXMYNLHMKBLLLU-KGYLQXTDSA-N 0 0 243.306 2.612 50 0 BFAARN C[C@@H]1CN(C/C=C/c2ccccc2)C[C@@H](C)O1 ZINC000023281927 176280825 /nfs/dbraw/zinc/28/08/25/176280825.db2.gz MJSOKZQNFQUZPA-VAIDBEGPSA-N 0 0 231.339 2.809 50 0 BFAARN C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000299747159 176316768 /nfs/dbraw/zinc/31/67/68/176316768.db2.gz CFSFGSDZQVOUKJ-BZPMIXESSA-N 0 0 247.338 2.585 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccccc2)C1 ZINC000000030926 176359667 /nfs/dbraw/zinc/35/96/67/176359667.db2.gz RPIULTSCBJBBEP-CHWSQXEVSA-N 0 0 247.338 2.570 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)CCc2ccco2)C1 ZINC000032873684 176360136 /nfs/dbraw/zinc/36/01/36/176360136.db2.gz ACKOZZGUJBSBOI-VXGBXAGGSA-N 0 0 235.327 2.717 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(F)cc2)C1 ZINC000000029760 176360670 /nfs/dbraw/zinc/36/06/70/176360670.db2.gz JGSLWDATJNUNQD-GHMZBOCLSA-N 0 0 235.302 2.944 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cccs2)C1 ZINC000000029367 176360676 /nfs/dbraw/zinc/36/06/76/176360676.db2.gz OCECQJAGGNFNJC-NXEZZACHSA-N 0 0 223.341 2.866 50 0 BFAARN C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000037176589 176450019 /nfs/dbraw/zinc/45/00/19/176450019.db2.gz FEPPMMHYULGHKP-ZCFIWIBFSA-N 0 0 213.074 2.773 50 0 BFAARN C[C@@H]1Cn2c(nnc2-c2ccc(F)cc2)S1 ZINC000000109257 176453361 /nfs/dbraw/zinc/45/33/61/176453361.db2.gz QWTNNXJLKHZHHG-SSDOTTSWSA-N 0 0 235.287 2.578 50 0 BFAARN C[C@H](CC(=O)N1CCCC1)c1cccc(F)c1 ZINC000089894511 176599391 /nfs/dbraw/zinc/59/93/91/176599391.db2.gz AZVBDKWJPVQAAQ-LLVKDONJSA-N 0 0 235.302 2.942 50 0 BFAARN C[C@H](Cc1ccco1)NC(=O)[C@@H]1CC=CCC1 ZINC000040074712 176725543 /nfs/dbraw/zinc/72/55/43/176725543.db2.gz NZQAQPUXSWLLRF-VXGBXAGGSA-N 0 0 233.311 2.683 50 0 BFAARN C[C@H](NC(=O)CC(F)(F)F)c1cccs1 ZINC000043072588 176789717 /nfs/dbraw/zinc/78/97/17/176789717.db2.gz KSPOMJBKUKCHRB-LURJTMIESA-N 0 0 237.246 2.878 50 0 BFAARN C[C@H](O)Cc1c(Cl)cccc1Cl ZINC000044266648 177002230 /nfs/dbraw/zinc/00/22/30/177002230.db2.gz IBZNHQGQLNNWPH-LURJTMIESA-N 0 0 205.084 2.917 50 0 BFAARN C[C@H](O)c1ccccc1Br ZINC000000389510 177017812 /nfs/dbraw/zinc/01/78/12/177017812.db2.gz DZLZSFZSPIUINR-LURJTMIESA-N 0 0 201.063 2.502 50 0 BFAARN C[C@H](OC[C@H]1CO1)c1ccc(Cl)cc1 ZINC000003389621 177021465 /nfs/dbraw/zinc/02/14/65/177021465.db2.gz JGGQRANUJHVHLH-KWQFWETISA-N 0 0 212.676 2.816 50 0 BFAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)C ZINC000045288746 177022363 /nfs/dbraw/zinc/02/23/63/177022363.db2.gz SRKTYHHXTRLRLY-NSHDSACASA-N 0 0 249.354 2.840 50 0 BFAARN C[C@H](SCC1CCCCCC1)C(N)=O ZINC000097115489 177027135 /nfs/dbraw/zinc/02/71/35/177027135.db2.gz ZRWCSNJRWGGCKB-VIFPVBQESA-N 0 0 215.362 2.564 50 0 BFAARN C[C@H](Sc1ccccc1)C(=O)N1CCCC1 ZINC000006425556 177028856 /nfs/dbraw/zinc/02/88/56/177028856.db2.gz JMSFUSPWTBSARP-NSHDSACASA-N 0 0 235.352 2.790 50 0 BFAARN C[C@H](Sc1ccc(C(C)(C)C)cc1)C(N)=O ZINC000026091265 177029046 /nfs/dbraw/zinc/02/90/46/177029046.db2.gz NWOGDOKZJCTYGQ-VIFPVBQESA-N 0 0 237.368 2.950 50 0 BFAARN C[C@H](Sc1nnc(N)s1)c1ccccc1 ZINC000000341761 177030680 /nfs/dbraw/zinc/03/06/80/177030680.db2.gz WUTIQTORPJRSTB-ZETCQYMHSA-N 0 0 237.353 2.974 50 0 BFAARN C[C@H](c1cccnc1)N(C)Cc1ccncc1 ZINC000065374521 177044458 /nfs/dbraw/zinc/04/44/58/177044458.db2.gz UBSJWWPHWSOSTH-GFCCVEGCSA-N 0 0 227.311 2.670 50 0 BFAARN C[C@H]1C=C2Nc3ccccc3N[C@@H](C)C2C(=O)O1 ZINC000008684991 177068000 /nfs/dbraw/zinc/06/80/00/177068000.db2.gz MGSVAWXAVKWGOR-IUCAKERBSA-N 0 0 244.294 2.502 50 0 BFAARN C[C@H]1CCCCCN1C(=O)c1ccc(N)cc1 ZINC000070407846 177070061 /nfs/dbraw/zinc/07/00/61/177070061.db2.gz NQEMQZDJINTXTK-NSHDSACASA-N 0 0 232.327 2.674 50 0 BFAARN C[C@H]1CCCCN1C(=O)CCc1ccco1 ZINC000041952072 177072496 /nfs/dbraw/zinc/07/24/96/177072496.db2.gz TXZRJKWFXTYLPD-NSHDSACASA-N 0 0 221.300 2.613 50 0 BFAARN C[C@H]1CCCCN1C(=O)NC1CCCCC1 ZINC000006675355 177072972 /nfs/dbraw/zinc/07/29/72/177072972.db2.gz AFXMCRGJJXTSPO-NSHDSACASA-N 0 0 224.348 2.903 50 0 BFAARN C[C@H]1CCCCN1C(=O)c1ccc(Cl)o1 ZINC000032727123 177073959 /nfs/dbraw/zinc/07/39/59/177073959.db2.gz AQAJGVYUVGISJX-QMMMGPOBSA-N 0 0 227.691 2.948 50 0 BFAARN C[C@H]1CCCC[C@@H]1CNc1ncnc2oncc21 ZINC000225503687 177081048 /nfs/dbraw/zinc/08/10/48/177081048.db2.gz QWGILTNSMCZXBD-VHSXEESVSA-N 0 0 246.314 2.856 50 0 BFAARN C[C@H]1CCCC[C@@H]1NC(=O)COc1ccccc1 ZINC000000388987 177082322 /nfs/dbraw/zinc/08/23/22/177082322.db2.gz HRMBSUOPIATDGS-JSGCOSHPSA-N 0 0 247.338 2.760 50 0 BFAARN C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccco1 ZINC000032787731 177087285 /nfs/dbraw/zinc/08/72/85/177087285.db2.gz VYXBJTIVSBVZOH-WDEREUQCSA-N 0 0 221.300 2.930 50 0 BFAARN C[C@H]1CCCC[C@H]1NC(=O)NCc1ccco1 ZINC000040474215 177088034 /nfs/dbraw/zinc/08/80/34/177088034.db2.gz DNDSAZZLMNKKHJ-CMPLNLGQSA-N 0 0 236.315 2.658 50 0 BFAARN C[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000000030482 177091668 /nfs/dbraw/zinc/09/16/68/177091668.db2.gz OXWXZIOXNXGEQV-ZDUSSCGKSA-N 0 0 231.339 2.878 50 0 BFAARN C[C@@H](c1nc(C2CC2)no1)N1CCC[C@H](C)C1 ZINC000051150767 177104033 /nfs/dbraw/zinc/10/40/33/177104033.db2.gz CGMAYWKBUIMRMM-UWVGGRQHSA-N 0 0 235.331 2.740 50 0 BFAARN C[C@H]1C[N@H+](CCC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000237622250 177246911 /nfs/dbraw/zinc/24/69/11/177246911.db2.gz WZLWUSHJUJQOJR-JSGCOSHPSA-N 0 0 247.338 2.587 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000030860484 177311878 /nfs/dbraw/zinc/31/18/78/177311878.db2.gz CKRDLUVISVXYJK-DTORHVGOSA-N 0 0 240.734 2.786 50 0 BFAARN C[C@H](Cc1ccccc1F)NC(=O)[C@H]1C[C@@H]1C ZINC000106829476 177340918 /nfs/dbraw/zinc/34/09/18/177340918.db2.gz ILELVXDFDGCZKN-UMNHJUIQSA-N 0 0 235.302 2.529 50 0 BFAARN C[C@H]1C[C@H](C)CN(C(=O)c2cccs2)C1 ZINC000000029368 177357742 /nfs/dbraw/zinc/35/77/42/177357742.db2.gz OCECQJAGGNFNJC-UWVGGRQHSA-N 0 0 223.341 2.866 50 0 BFAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccsc2)C1 ZINC000032731184 177358014 /nfs/dbraw/zinc/35/80/14/177358014.db2.gz YKSGDGJNHNHHPE-UWVGGRQHSA-N 0 0 223.341 2.866 50 0 BFAARN C[C@H]1C[C@H](NC(=S)N(C)C)CC(C)(C)C1 ZINC000006481460 177368073 /nfs/dbraw/zinc/36/80/73/177368073.db2.gz SKCBGLHGCCBEEY-UWVGGRQHSA-N 0 0 228.405 2.637 50 0 BFAARN C[C@H]1C[C@H]1C(=O)N(C)CC1CCCCC1 ZINC000043979915 177375009 /nfs/dbraw/zinc/37/50/09/177375009.db2.gz DSAMOXVUXWYRKI-CMPLNLGQSA-N 0 0 209.333 2.681 50 0 BFAARN C[C@H]1C[C@H]1C(=O)NCCC1=CCCCC1 ZINC000057287875 177376599 /nfs/dbraw/zinc/37/65/99/177376599.db2.gz LEASRAUSZBWTPU-CMPLNLGQSA-N 0 0 207.317 2.649 50 0 BFAARN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCS1 ZINC000082337156 177389527 /nfs/dbraw/zinc/38/95/27/177389527.db2.gz PMOZJGGKZVTQIS-GWCFXTLKSA-N 0 0 247.363 2.860 50 0 BFAARN C[C@H]1Cc2ccccc2N1C(=O)C1CCC1 ZINC000032975277 177389529 /nfs/dbraw/zinc/38/95/29/177389529.db2.gz TZADZXHPNFTBFK-JTQLQIEISA-N 0 0 215.296 2.764 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N1c2ccccc2C[C@@H]1C ZINC000032975282 177389966 /nfs/dbraw/zinc/38/99/66/177389966.db2.gz LJAPGMXRDZGHSK-JFGNBEQYSA-N 0 0 215.296 2.620 50 0 BFAARN C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCS1 ZINC000082337158 177390279 /nfs/dbraw/zinc/39/02/79/177390279.db2.gz PMOZJGGKZVTQIS-GXFFZTMASA-N 0 0 247.363 2.860 50 0 BFAARN C[C@H]1Cc2ccccc2[C@@H]1Nc1cnn(C)c1 ZINC000157327475 177391551 /nfs/dbraw/zinc/39/15/51/177391551.db2.gz IAIYKUVPTSCWJL-IINYFYTJSA-N 0 0 227.311 2.766 50 0 BFAARN C[C@H]1Cn2c(CCc3ccccc3)nnc2S1 ZINC000001059234 177392242 /nfs/dbraw/zinc/39/22/42/177392242.db2.gz YVVIWFGQNRUPFH-JTQLQIEISA-N 0 0 245.351 2.558 50 0 BFAARN C[C@H]1Cn2c(nnc2-c2cccc(F)c2)S1 ZINC000000110479 177392654 /nfs/dbraw/zinc/39/26/54/177392654.db2.gz TZSOYPGBWUBLMI-ZETCQYMHSA-N 0 0 235.287 2.578 50 0 BFAARN C[C@H]1O[C@@H]2c3ccccc3C[C@@H]2[C@@H](C)O1 ZINC000223976466 177409599 /nfs/dbraw/zinc/40/95/99/177409599.db2.gz SHWFPOIJJLMZKA-NRMKKVEVSA-N 0 0 204.269 2.681 50 0 BFAARN Cc1[nH]ccc1C(=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000163142014 177521356 /nfs/dbraw/zinc/52/13/56/177521356.db2.gz UWFKFOUCJKSKRU-MNOVXSKESA-N 0 0 234.343 2.831 50 0 BFAARN Cc1c(C)n(C)c2ccc(C(=O)NC(C)C)cc12 ZINC000015732211 177576892 /nfs/dbraw/zinc/57/68/92/177576892.db2.gz HANDXVWHRKRLOM-UHFFFAOYSA-N 0 0 244.338 2.933 50 0 BFAARN Cc1c(N)cccc1NC(=O)Cc1ccccc1 ZINC000019266729 177613994 /nfs/dbraw/zinc/61/39/94/177613994.db2.gz AFOSEVRXIVRKNP-UHFFFAOYSA-N 0 0 240.306 2.758 50 0 BFAARN COc1ccc2c(c1)[C@@H]1[C@H]3[C@@H]1[C@@H]2[C@H]1C=C[C@@H]31 ZINC000247952952 262791640 /nfs/dbraw/zinc/79/16/40/262791640.db2.gz MSMIFVCPETXJCQ-MTIYOPRHSA-N 0 0 210.276 2.938 50 0 BFAARN Nc1ccc(F)cc1OCCC(F)(F)F ZINC000070212546 487793135 /nfs/dbraw/zinc/79/31/35/487793135.db2.gz WFZDPMIUTIDFSC-UHFFFAOYSA-N 0 0 223.169 2.739 50 0 BFAARN Cc1ccc2c(c1)N(C(=O)C1CCC1)CCO2 ZINC000062559930 322942889 /nfs/dbraw/zinc/94/28/89/322942889.db2.gz PXFOBLKFSWONTD-UHFFFAOYSA-N 0 0 231.295 2.521 50 0 BFAARN O[C@H](c1cccc(Br)c1)C(F)F ZINC000087686909 526300523 /nfs/dbraw/zinc/30/05/23/526300523.db2.gz OEAKNZDZYSNZMG-SSDOTTSWSA-N 0 0 237.043 2.748 50 0 BFAARN CC/C=C(\C)C(=O)N[C@H](C)c1ccncc1 ZINC000046041946 487870974 /nfs/dbraw/zinc/87/09/74/487870974.db2.gz OTOHBJPCRLPNHV-IGLBNKAOSA-N 0 0 218.300 2.615 50 0 BFAARN CCOc1ccccc1CNc1cc(C)on1 ZINC000083358747 487904382 /nfs/dbraw/zinc/90/43/82/487904382.db2.gz DLBWUJZLDGNWGF-UHFFFAOYSA-N 0 0 232.283 2.994 50 0 BFAARN Cn1cnnc1SCC1CCCCCC1 ZINC000097376221 322987782 /nfs/dbraw/zinc/98/77/82/322987782.db2.gz XUVVMNDRHUVQBI-UHFFFAOYSA-N 0 0 225.361 2.878 50 0 BFAARN CCO[C@@H](C)c1nccn1Cc1ncccc1C ZINC000097378363 322988030 /nfs/dbraw/zinc/98/80/30/322988030.db2.gz VOQUQDQMFBJECG-LBPRGKRZSA-N 0 0 245.326 2.732 50 0 BFAARN CCc1ccccc1Oc1ncccn1 ZINC000006509593 323235478 /nfs/dbraw/zinc/23/54/78/323235478.db2.gz RYMDKKMDPFBYRD-UHFFFAOYSA-N 0 0 200.241 2.831 50 0 BFAARN CCCC[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000144707007 323238382 /nfs/dbraw/zinc/23/83/82/323238382.db2.gz VOGWFRQLYBYKAD-UHFFFAOYSA-N 0 0 233.311 2.543 50 0 BFAARN COC(=O)c1cc2c(s1)c(F)ccc2F ZINC000396171583 323950131 /nfs/dbraw/zinc/95/01/31/323950131.db2.gz MCJQGBYCYITYHR-UHFFFAOYSA-N 0 0 228.219 2.966 50 0 BFAARN Cc1cccc(NC(=O)N[C@@H]2C=CCCC2)n1 ZINC000122725538 324054648 /nfs/dbraw/zinc/05/46/48/324054648.db2.gz HYFQKRDUYSRXFF-LLVKDONJSA-N 0 0 231.299 2.620 50 0 BFAARN Cc1occc1S[C@@H](C(=O)N(C)C)C(C)C ZINC000131467348 325153210 /nfs/dbraw/zinc/15/32/10/325153210.db2.gz OJEIIVVHHKNIGH-LLVKDONJSA-N 0 0 241.356 2.793 50 0 BFAARN CC(C)CCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000046488805 487968532 /nfs/dbraw/zinc/96/85/32/487968532.db2.gz WHQLYCLIFYTQKW-QWHCGFSZSA-N 0 0 239.359 2.593 50 0 BFAARN CCOC(=O)[C@]1(CC=C(C)C)CCCC1=O ZINC000196883522 487970275 /nfs/dbraw/zinc/97/02/75/487970275.db2.gz BSZQQWWCHSBRCS-ZDUSSCGKSA-N 0 0 224.300 2.645 50 0 BFAARN C=CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000037007799 488002788 /nfs/dbraw/zinc/00/27/88/488002788.db2.gz ZGSWINWCGUWHEF-NSHDSACASA-N 0 0 229.323 2.929 50 0 BFAARN Cc1ccc(OCCN(C)c2ccccc2)cn1 ZINC000084191265 488035071 /nfs/dbraw/zinc/03/50/71/488035071.db2.gz CSWNUCQLTLQKJH-UHFFFAOYSA-N 0 0 242.322 2.905 50 0 BFAARN CC(C)CN(CC(C)C)C(=O)NCC1CC1 ZINC000084511039 488056308 /nfs/dbraw/zinc/05/63/08/488056308.db2.gz PMOPDBNRGVDZDS-UHFFFAOYSA-N 0 0 226.364 2.720 50 0 BFAARN CC(C)COC[C@@H](C)NC(=O)OC(C)(C)C ZINC000084544406 488058334 /nfs/dbraw/zinc/05/83/34/488058334.db2.gz BGDVGNKYIINTTH-SNVBAGLBSA-N 0 0 231.336 2.572 50 0 BFAARN CCCCN1CCC[C@H]1c1noc(C2CC2)n1 ZINC000084744468 488090055 /nfs/dbraw/zinc/09/00/55/488090055.db2.gz CEDGEAUEOQXFBU-NSHDSACASA-N 0 0 235.331 2.884 50 0 BFAARN CCCCCC[C@H](C)NC(=O)N1CCC1 ZINC000084743065 488090288 /nfs/dbraw/zinc/09/02/88/488090288.db2.gz WHUYWFTTXMXOFS-NSHDSACASA-N 0 0 212.337 2.761 50 0 BFAARN Cc1ccoc1C(=O)N[C@@H](C)c1ccc(C)nc1 ZINC000670457950 487510949 /nfs/dbraw/zinc/51/09/49/487510949.db2.gz JEOIGFCRWPJVNB-NSHDSACASA-N 0 0 244.294 2.782 50 0 BFAARN C[C@@H](OCC1CC1)C(=O)OC1CCCCC1 ZINC000120227574 488151087 /nfs/dbraw/zinc/15/10/87/488151087.db2.gz OUUDDYTZQFINIW-SNVBAGLBSA-N 0 0 226.316 2.677 50 0 BFAARN CCCc1cc(C(=O)N(C)c2ccccc2)no1 ZINC000013363781 488194086 /nfs/dbraw/zinc/19/40/86/488194086.db2.gz GAKPUUKFKUQUPX-UHFFFAOYSA-N 0 0 244.294 2.904 50 0 BFAARN Cc1ccncc1[C@H](C)N[C@H](C)c1nccn1C ZINC000678770297 488281336 /nfs/dbraw/zinc/28/13/36/488281336.db2.gz LCTJIIZXCOPGIL-NWDGAFQWSA-N 0 0 244.342 2.535 50 0 BFAARN Cc1ccc(NC(=S)NC(=O)C2CC2)c(C)c1 ZINC000000358904 490040035 /nfs/dbraw/zinc/04/00/35/490040035.db2.gz UTZAWSMGYKBBRQ-UHFFFAOYSA-N 0 0 248.351 2.526 50 0 BFAARN CCN(Cc1ccc(Cl)s1)C(=O)NC ZINC000048644692 490122323 /nfs/dbraw/zinc/12/23/23/490122323.db2.gz DCVABFHMNLDTKJ-UHFFFAOYSA-N 0 0 232.736 2.563 50 0 BFAARN Cc1noc(C)c1-c1nc2c(s1)C(=O)CCC2 ZINC000070143349 490200816 /nfs/dbraw/zinc/20/08/16/490200816.db2.gz NUZJLRZEDXVZLH-UHFFFAOYSA-N 0 0 248.307 2.934 50 0 BFAARN COc1cncc(-c2ccc3c(c2)CCN3)c1 ZINC000212571258 490265607 /nfs/dbraw/zinc/26/56/07/490265607.db2.gz NFCZBOWDLVFITC-UHFFFAOYSA-N 0 0 226.279 2.725 50 0 BFAARN Cc1nccc(Cl)c1Br ZINC000071788789 490277904 /nfs/dbraw/zinc/27/79/04/490277904.db2.gz MVOLARAAJFTTCC-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN CC(C)c1nccc(NCCc2ccc[nH]2)n1 ZINC000097033575 490305161 /nfs/dbraw/zinc/30/51/61/490305161.db2.gz GMIQVRGQOJRHBB-UHFFFAOYSA-N 0 0 230.315 2.583 50 0 BFAARN Cl/C(=C\c1ccccc1)CN1CCOCC1 ZINC000019633903 491063547 /nfs/dbraw/zinc/06/35/47/491063547.db2.gz XFFQBDYXUBMLTP-RAXLEYEMSA-N 0 0 237.730 2.599 50 0 BFAARN CC(C)c1ccc(CN2CCOCC2)cc1 ZINC000019633392 491063582 /nfs/dbraw/zinc/06/35/82/491063582.db2.gz WJZIKYXGLAUBED-UHFFFAOYSA-N 0 0 219.328 2.642 50 0 BFAARN CCC[C@@H]1C[C@H]1NC(=O)Nc1ccncc1F ZINC000097135945 491125426 /nfs/dbraw/zinc/12/54/26/491125426.db2.gz YXICRCWWFLHCIM-LDYMZIIASA-N 0 0 237.278 2.531 50 0 BFAARN CCCCNC(=O)c1cccc2ncccc21 ZINC000084744607 491128376 /nfs/dbraw/zinc/12/83/76/491128376.db2.gz POVGUFJNVCXPKM-UHFFFAOYSA-N 0 0 228.295 2.765 50 0 BFAARN Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000000250141 491128915 /nfs/dbraw/zinc/12/89/15/491128915.db2.gz VCDZSVIMPRTHGL-IACUBPJLSA-N 0 0 229.323 2.913 50 0 BFAARN CCOC(=O)/C=C/[C@H]1C[C@@H]1c1ccccc1 ZINC000004020195 517674048 /nfs/dbraw/zinc/67/40/48/517674048.db2.gz PEEFCGIMKBGSEH-AYSSICMYSA-N 0 0 216.280 2.909 50 0 BFAARN C[C@H](NC(=O)c1cccc(N)c1)c1ccccc1 ZINC000000041953 518183181 /nfs/dbraw/zinc/18/31/81/518183181.db2.gz ZNBFXLWERBRCIT-NSHDSACASA-N 0 0 240.306 2.760 50 0 BFAARN CC(=O)N1N=CC[C@@H]1[C@H]1[C@H](C)CC(C)=C[C@@H]1C ZINC000239309727 519638448 /nfs/dbraw/zinc/63/84/48/519638448.db2.gz HUMGQYPYCXKRLK-OIMNJJJWSA-N 0 0 234.343 2.831 50 0 BFAARN CC(C)NC(=O)CSC/C=C/c1ccccc1 ZINC000057686993 519708868 /nfs/dbraw/zinc/70/88/68/519708868.db2.gz MTEFRQGUAYIXJI-RMKNXTFCSA-N 0 0 249.379 2.958 50 0 BFAARN CCCC[S@@](=O)CCSc1ccccn1 ZINC000035327298 521258570 /nfs/dbraw/zinc/25/85/70/521258570.db2.gz VXRKPWUPIZRQPX-HNNXBMFYSA-N 0 0 243.397 2.723 50 0 BFAARN CCC(CC)NC(=O)COc1cccc(C)c1 ZINC000002774554 521576989 /nfs/dbraw/zinc/57/69/89/521576989.db2.gz KXACFFXJABMHOZ-UHFFFAOYSA-N 0 0 235.327 2.679 50 0 BFAARN CC[C@@H](C)C(=O)NCCSC1CCCC1 ZINC000040511070 521915782 /nfs/dbraw/zinc/91/57/82/521915782.db2.gz OSJCVELNJMTTAL-SNVBAGLBSA-N 0 0 229.389 2.825 50 0 BFAARN Clc1ccnc(Nc2ccccn2)c1 ZINC000306200004 534655184 /nfs/dbraw/zinc/65/51/84/534655184.db2.gz LFPYZDHDWXMHAY-UHFFFAOYSA-N 0 0 205.648 2.874 50 0 BFAARN CC[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000239165347 523979993 /nfs/dbraw/zinc/97/99/93/523979993.db2.gz NZTAKZCQLDQXAZ-VWYCJHECSA-N 0 0 212.337 2.663 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000252212545 525304881 /nfs/dbraw/zinc/30/48/81/525304881.db2.gz YLSHQKYEVVSIEL-BNDIWNMDSA-N 0 0 221.344 2.822 50 0 BFAARN Cc1csc(=Nc2ccccc2)n1C ZINC000253978773 526306269 /nfs/dbraw/zinc/30/62/69/526306269.db2.gz DHCNMNPNNXRRBJ-UHFFFAOYSA-N 0 0 204.298 2.627 50 0 BFAARN O=C(NCCSC1CCCC1)C1CCCC1 ZINC000040511058 526370577 /nfs/dbraw/zinc/37/05/77/526370577.db2.gz RJRINKGAMYWDCR-UHFFFAOYSA-N 0 0 241.400 2.969 50 0 BFAARN O=C(CCC1CCCC1)NCCc1cccnc1 ZINC000058441230 526403823 /nfs/dbraw/zinc/40/38/23/526403823.db2.gz ADYFRJHAUYLTEU-UHFFFAOYSA-N 0 0 246.354 2.711 50 0 BFAARN N=c1sccn1Cc1cccc2cccnc21 ZINC000334157740 526845664 /nfs/dbraw/zinc/84/56/64/526845664.db2.gz RQZYYEWIKRSPEM-UHFFFAOYSA-N 0 0 241.319 2.626 50 0 BFAARN O=c1cc(CCCOCc2ccccc2)cc[nH]1 ZINC000091493540 527476421 /nfs/dbraw/zinc/47/64/21/527476421.db2.gz BILXYNBVLDPOPF-UHFFFAOYSA-N 0 0 243.306 2.524 50 0 BFAARN OCC/C=C\CCCCO[C@@H]1CCCCO1 ZINC000034439011 527522150 /nfs/dbraw/zinc/52/21/50/527522150.db2.gz BSDWMRHTDLMCNJ-MTMQSLQUSA-N 0 0 228.332 2.639 50 0 BFAARN C/C=C/C=C/C(=O)NCCc1ccc(F)cc1 ZINC000007977239 527580129 /nfs/dbraw/zinc/58/01/29/527580129.db2.gz JUDGPGHWWAGNBI-MQQKCMAXSA-N 0 0 233.286 2.617 50 0 BFAARN CCCOCCn1cc([C@H]2CC=CCC2)nn1 ZINC000067842245 535233958 /nfs/dbraw/zinc/23/39/58/535233958.db2.gz INKAMTUMOXBUPC-LBPRGKRZSA-N 0 0 235.331 2.528 50 0 BFAARN COC(=O)N1CCCc2cc(C)ccc21 ZINC000001056410 536426423 /nfs/dbraw/zinc/42/64/23/536426423.db2.gz LDRFMYWKINHGEQ-UHFFFAOYSA-N 0 0 205.257 2.514 50 0 BFAARN COc1cccc2c1N(C(=O)C(C)C)CCC2 ZINC000070253213 536957373 /nfs/dbraw/zinc/95/73/73/536957373.db2.gz GTRMXMXDJHPZFR-UHFFFAOYSA-N 0 0 233.311 2.630 50 0 BFAARN Cc1[nH]ccc1C(=O)N1CCCCCCC1 ZINC000098018778 566473535 /nfs/dbraw/zinc/47/35/35/566473535.db2.gz SWBNJHRRRIEKQF-UHFFFAOYSA-N 0 0 220.316 2.729 50 0 BFAARN CC[C@@H](C)C(=O)C=C([O-])c1ccccc1 ZINC000039268862 582675572 /nfs/dbraw/zinc/67/55/72/582675572.db2.gz VTLQBZISYPTVHR-SNVBAGLBSA-N 0 0 204.269 2.875 50 0 BFAARN COC(=O)c1ccc(-c2cncn2C(C)C)cc1 ZINC000261165460 582903641 /nfs/dbraw/zinc/90/36/41/582903641.db2.gz XFZZKRSKJHCBFZ-UHFFFAOYSA-N 0 0 244.294 2.918 50 0 BFAARN C=CC(=O)NC[C@@H]1C[C@]12CCCc1ccccc12 ZINC000888102154 583181904 /nfs/dbraw/zinc/18/19/04/583181904.db2.gz IWRZTNVTIBVOAG-XJKSGUPXSA-N 0 0 241.334 2.583 50 0 BFAARN C=CC(=O)N[C@@H]1C[C@H](C)c2ccccc21 ZINC000888102393 583182429 /nfs/dbraw/zinc/18/24/29/583182429.db2.gz UNNDJBFQJLJXBU-JOYOIKCWSA-N 0 0 201.269 2.537 50 0 BFAARN Fc1ccc(/C=C\c2ccnnc2)c(F)c1 ZINC000888105049 583185025 /nfs/dbraw/zinc/18/50/25/583185025.db2.gz BOEZEZHAUYIAGI-UPHRSURJSA-N 0 0 218.206 2.925 50 0 BFAARN C=CC(=O)NC1(c2nc(C)cs2)CCCC1 ZINC000791357752 583405117 /nfs/dbraw/zinc/40/51/17/583405117.db2.gz ABRVTWBHZJTRAH-UHFFFAOYSA-N 0 0 236.340 2.523 50 0 BFAARN C[Si](C)(C)c1ccc([Si](C)(C)C)cc1 ZINC000169806227 583947291 /nfs/dbraw/zinc/94/72/91/583947291.db2.gz NVRBTKMAZQNKPX-UHFFFAOYSA-N 0 0 222.480 2.777 50 0 BFAARN C=CC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000791340473 585977996 /nfs/dbraw/zinc/97/79/96/585977996.db2.gz PZXWXRRFEDBCIW-CYBMUJFWSA-N 0 0 233.286 2.545 50 0 BFAARN C=CC(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000791340475 585978040 /nfs/dbraw/zinc/97/80/40/585978040.db2.gz PZXWXRRFEDBCIW-ZDUSSCGKSA-N 0 0 233.286 2.545 50 0 BFAARN C=CC(=O)N[C@H]1CCc2c1cccc2Cl ZINC000791337885 585978041 /nfs/dbraw/zinc/97/80/41/585978041.db2.gz XSCKSQOPQMACSP-NSHDSACASA-N 0 0 221.687 2.630 50 0 BFAARN C=CC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000848979372 588423062 /nfs/dbraw/zinc/42/30/62/588423062.db2.gz UWLYIAXYDUIRMM-LBPRGKRZSA-N 0 0 219.259 2.675 50 0 BFAARN C=CC(=O)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000863971162 589330106 /nfs/dbraw/zinc/33/01/06/589330106.db2.gz HLPIGZLNUDDGRU-ZDUSSCGKSA-N 0 0 231.295 2.909 50 0 BFAARN C=CC(=O)N1CC2(CCCCC2)[C@@H]1C(C)C ZINC000863971040 589330222 /nfs/dbraw/zinc/33/02/22/589330222.db2.gz CBIHEJSXAJCIGN-ZDUSSCGKSA-N 0 0 221.344 2.990 50 0 BFAARN C=CC(=O)NCc1csc(C(F)(F)F)c1 ZINC000863971504 589330604 /nfs/dbraw/zinc/33/06/04/589330604.db2.gz VWRQZARYBQOEIO-UHFFFAOYSA-N 0 0 235.230 2.569 50 0 BFAARN C=CC(=O)NCc1c(Cl)oc2ccccc21 ZINC000863971569 589330690 /nfs/dbraw/zinc/33/06/90/589330690.db2.gz YYZBPBGFJLGUJR-UHFFFAOYSA-N 0 0 235.670 2.888 50 0 BFAARN CS/C=C\C(=O)N(C)[C@@H](C)c1ccco1 ZINC000104269871 592610040 /nfs/dbraw/zinc/61/00/40/592610040.db2.gz WZYQEFOBYBZVEP-XZLDQRQTSA-N 0 0 225.313 2.676 50 0 BFAARN CCn1nccc1-c1nc(C)cc(C2CCC2)n1 ZINC000426387805 635698550 /nfs/dbraw/zinc/69/85/50/635698550.db2.gz FESNIMAQWSOSAU-UHFFFAOYSA-N 0 0 242.326 2.936 50 0 BFAARN CCCC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000000295582 632603322 /nfs/dbraw/zinc/60/33/22/632603322.db2.gz AVLJVEYSDBTVQD-UHFFFAOYSA-N 0 0 237.299 2.791 50 0 BFAARN c1ccc2c(c1)ccc1nnc(-c3ccncc3)n12 ZINC000032587394 641394692 /nfs/dbraw/zinc/39/46/92/641394692.db2.gz LRHHQSWNXZVTCS-UHFFFAOYSA-N 0 0 246.273 2.945 50 0 BFAARN CCCCSC[C@H](O)COc1ccccc1 ZINC000002494068 642396783 /nfs/dbraw/zinc/39/67/83/642396783.db2.gz AOPMMDJCCHLNPJ-GFCCVEGCSA-N 0 0 240.368 2.960 50 0 BFAARN C[C@H]1S[C@@H](c2ccccc2Cl)NC1=O ZINC000000444573 642774293 /nfs/dbraw/zinc/77/42/93/642774293.db2.gz BYOSTEFUXFDWRR-LDWIPMOCSA-N 0 0 227.716 2.590 50 0 BFAARN C[C@@H]1S[C@@H](c2ccccc2Cl)NC1=O ZINC000000444572 642775630 /nfs/dbraw/zinc/77/56/30/642775630.db2.gz BYOSTEFUXFDWRR-WKEGUHRASA-N 0 0 227.716 2.590 50 0 BFAARN COc1nccnc1-c1cnc2ccccc2c1 ZINC000020500307 643062617 /nfs/dbraw/zinc/06/26/17/643062617.db2.gz RCANWNAELBYFIF-UHFFFAOYSA-N 0 0 237.262 2.700 50 0 BFAARN CC(C)c1[nH]n(C)c2nc(C(C)(C)C)nc1-2 ZINC000020999886 643068488 /nfs/dbraw/zinc/06/84/88/643068488.db2.gz APPYTOQDLNZHLF-UHFFFAOYSA-N 0 0 220.320 2.717 50 0 BFAARN CCC[C@@H](C(=O)NC(C)(C)C)n1cccc1 ZINC000952962934 644446677 /nfs/dbraw/zinc/44/66/77/644446677.db2.gz MHLLBFLDBLFEON-NSHDSACASA-N 0 0 222.332 2.744 50 0 BFAARN COc1ccccc1/C=C/CNc1ccn(C)n1 ZINC000089756685 644565487 /nfs/dbraw/zinc/56/54/87/644565487.db2.gz BFKCORZPVGXBMQ-FNORWQNLSA-N 0 0 243.310 2.554 50 0 BFAARN CCCCCOc1nccc(Br)n1 ZINC000725345681 711663904 /nfs/dbraw/zinc/66/39/04/711663904.db2.gz WDKYWRVWAQJCJG-UHFFFAOYSA-N 0 0 245.120 2.808 50 0 BFAARN C[C@H]1CCC(=O)C[C@@H]1OCc1ccco1 ZINC000725359201 711664151 /nfs/dbraw/zinc/66/41/51/711664151.db2.gz CFXRZHPGMXGUEQ-CABZTGNLSA-N 0 0 208.257 2.554 50 0 BFAARN COCCc1ccc(O)c(C(=O)CC(C)C)c1 ZINC000052068565 711603429 /nfs/dbraw/zinc/60/34/29/711603429.db2.gz HCIARXHTJFVHEW-UHFFFAOYSA-N 0 0 236.311 2.810 50 0 BFAARN O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000005047004 711741666 /nfs/dbraw/zinc/74/16/66/711741666.db2.gz ZSUYQQXHXRVFQC-SECBINFHSA-N 0 0 248.134 2.855 50 0 BFAARN CCNc1ccnc(-c2ccc(OC)cc2C)n1 ZINC000065497247 712620354 /nfs/dbraw/zinc/62/03/54/712620354.db2.gz BZHWQCCCWXBEGI-UHFFFAOYSA-N 0 0 243.310 2.892 50 0 BFAARN C=CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000037831126 712768611 /nfs/dbraw/zinc/76/86/11/712768611.db2.gz IWHQRAYKFVECER-TUAOUCFPSA-N 0 0 207.317 2.600 50 0 BFAARN CCSCCSCc1cc[nH]c(=O)c1 ZINC000585118884 972149453 /nfs/dbraw/zinc/14/94/53/972149453.db2.gz GTQLALYFEVTXIA-UHFFFAOYSA-N 0 0 229.370 2.774 50 0 BFAARN Cc1c(Cl)cccc1N[C@@H]1CC[C@H]1O ZINC000585298782 960601770 /nfs/dbraw/zinc/60/17/70/960601770.db2.gz HCWNHESFOLHZHO-GHMZBOCLSA-N 0 0 211.692 2.584 50 0 BFAARN CC[C@H](C)n1cnc2c(C)cc(C)cc2c1=O ZINC000199303448 963543429 /nfs/dbraw/zinc/54/34/29/963543429.db2.gz LUOWYPXFIORFRJ-NSHDSACASA-N 0 0 230.311 2.984 50 0 BFAARN C=CC(=O)N1C[C@]2(C)CC[C@@H](C2)C1(C)C ZINC000699330119 965846303 /nfs/dbraw/zinc/84/63/03/965846303.db2.gz NAPXIBWHZUVVPH-GXFFZTMASA-N 0 0 207.317 2.600 50 0 BFAARN C=CC(=O)N1CCc2ccccc2[C@H]1CC ZINC000213258351 966252639 /nfs/dbraw/zinc/25/26/39/966252639.db2.gz BDELVASBGBPBII-CYBMUJFWSA-N 0 0 215.296 2.708 50 0 BFAARN CCCn1nc(CC)nc1-c1cc(O)ccc1F ZINC000823033108 968540544 /nfs/dbraw/zinc/54/05/44/968540544.db2.gz PCZPNIXFMCJXBS-UHFFFAOYSA-N 0 0 249.289 2.762 50 0 BFAARN Cc1[nH]n(C)c2nc(-c3ccc(C)c(C)c3)nc1-2 ZINC000825145651 968635616 /nfs/dbraw/zinc/63/56/16/968635616.db2.gz NXYXXHHXKOYJBO-UHFFFAOYSA-N 0 0 240.310 2.889 50 0 BFAARN C[C@@H](NC(=O)NC(C)(C)C)C1=CCCCC1 ZINC000827989695 968736492 /nfs/dbraw/zinc/73/64/92/968736492.db2.gz WDPOSVRRDFCCQQ-SNVBAGLBSA-N 0 0 224.348 2.973 50 0 BFAARN Cc1c(Cl)cccc1N[C@@H]1CC[C@@H]1O ZINC000585298783 973914705 /nfs/dbraw/zinc/91/47/05/973914705.db2.gz HCWNHESFOLHZHO-MNOVXSKESA-N 0 0 211.692 2.584 50 0 BFAARN FC(F)(F)c1cccnc1O[C@@H]1CCSC1 ZINC000585654770 973924989 /nfs/dbraw/zinc/92/49/89/973924989.db2.gz LOVOHTCXVPPQFF-SSDOTTSWSA-N 0 0 249.257 2.985 50 0 BFAARN FC(F)(F)c1ccc(OC[C@@H]2CCCO2)nc1 ZINC000585654129 973926289 /nfs/dbraw/zinc/92/62/89/973926289.db2.gz DBRAVVJLMACSEV-VIFPVBQESA-N 0 0 247.216 2.658 50 0 BFAARN Cc1cc(C)cc(C(=O)N2CCCSC2)c1 ZINC000952876999 974056716 /nfs/dbraw/zinc/05/67/16/974056716.db2.gz KFYMXHUXEWWIFQ-UHFFFAOYSA-N 0 0 235.352 2.840 50 0 BFAARN Cc1ccc(-c2nnc3n2CC(C)(C)CC3)o1 ZINC000952881587 974062922 /nfs/dbraw/zinc/06/29/22/974062922.db2.gz QAUXCXGXEAVRJI-UHFFFAOYSA-N 0 0 231.299 2.819 50 0 BFAARN C=CC(=O)N1C[C@H](C(C)C)c2ccccc21 ZINC000952884763 974063120 /nfs/dbraw/zinc/06/31/20/974063120.db2.gz NJRMWDVYVQEVNI-GFCCVEGCSA-N 0 0 215.296 2.959 50 0 BFAARN Oc1cccc2c1CC[C@@H]2NCc1cnsc1 ZINC000687228076 985275675 /nfs/dbraw/zinc/27/56/75/985275675.db2.gz FNJAGMOKUUUVDL-LBPRGKRZSA-N 0 0 246.335 2.626 50 0 BFAARN CC(=O)NC[C@@H](c1ccsc1)c1ccco1 ZINC000669412067 987253714 /nfs/dbraw/zinc/25/37/14/987253714.db2.gz ALAKSSIBOVHITC-NSHDSACASA-N 0 0 235.308 2.609 50 0 BFAARN CCc1nn(C)c(NC(=O)CC2CCCC2)c1C ZINC001506396989 988774102 /nfs/dbraw/zinc/77/41/02/988774102.db2.gz PJPRBPXDKWIOEA-UHFFFAOYSA-N 0 0 249.358 2.810 50 0 BFAARN Cc1nc(N(C)C[C@@H]2CCOC2)ccc1Cl ZINC001506401801 988774391 /nfs/dbraw/zinc/77/43/91/988774391.db2.gz NZMLADFOXDDFFN-JTQLQIEISA-N 0 0 240.734 2.516 50 0 BFAARN CCO[C@@H](C)c1ccc(-c2cc(=O)[nH]cn2)cc1 ZINC001506410001 988781157 /nfs/dbraw/zinc/78/11/57/988781157.db2.gz QLLPEJATIODAOO-JTQLQIEISA-N 0 0 244.294 2.947 50 0 BFAARN CCc1nn(C)c(NC(=O)c2ccsc2)c1C ZINC001529150908 990332441 /nfs/dbraw/zinc/33/24/41/990332441.db2.gz BBTZLEYUAFMDRY-UHFFFAOYSA-N 0 0 249.339 2.605 50 0 BFAARN COc1nccnc1N[C@H](C)C1=CCCCC1 ZINC001529144078 990332896 /nfs/dbraw/zinc/33/28/96/990332896.db2.gz HMSKIDFAZUMINO-SNVBAGLBSA-N 0 0 233.315 2.786 50 0 BFAARN CCCc1cnc(C)nc1NCCc1ccco1 ZINC001529144300 990334145 /nfs/dbraw/zinc/33/41/45/990334145.db2.gz WUCSNUNZBDGCBJ-UHFFFAOYSA-N 0 0 245.326 2.985 50 0 BFAARN C=CC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000226956037 991610755 /nfs/dbraw/zinc/61/07/55/991610755.db2.gz IWHQRAYKFVECER-SDDRHHMPSA-N 0 0 207.317 2.600 50 0 BFAARN Cc1cc(C)n(CCC(=O)Nc2ccccc2)n1 ZINC000004923602 177925426 /nfs/dbraw/zinc/92/54/26/177925426.db2.gz GWAAFGIZEYSOEC-UHFFFAOYSA-N 0 0 243.310 2.529 50 0 BFAARN CCC(CC)(CC)CNc1nc2ncccn2n1 ZINC000225643428 168316344 /nfs/dbraw/zinc/31/63/44/168316344.db2.gz BRJPJZQSARYYQA-UHFFFAOYSA-N 0 0 247.346 2.753 50 0 BFAARN Cc1cc(C)nc(Nc2ccc(O)cc2)n1 ZINC000000180420 177946813 /nfs/dbraw/zinc/94/68/13/177946813.db2.gz NUWWAHKTVOVTNC-UHFFFAOYSA-N 0 0 215.256 2.543 50 0 in-vitro BFAARN Cc1cc(C)nc(Sc2cccc(N)c2)n1 ZINC000000154220 177948851 /nfs/dbraw/zinc/94/88/51/177948851.db2.gz TYFZVTWRRJPDKN-UHFFFAOYSA-N 0 0 231.324 2.827 50 0 BFAARN Cc1cc(C2CCC2)nc(NC[C@@H]2CCOC2)n1 ZINC000071762169 177950503 /nfs/dbraw/zinc/95/05/03/177950503.db2.gz VNOMDPNAKNHNNM-NSHDSACASA-N 0 0 247.342 2.501 50 0 BFAARN CCOC(=O)CCCC[C@H]1C=CC(=O)CC1 ZINC000045071665 262790422 /nfs/dbraw/zinc/79/04/22/262790422.db2.gz UDVXXKZTSBGMEF-NSHDSACASA-N 0 0 224.300 2.645 50 0 BFAARN Cc1cc(CN2CCc3ccccc3C2)on1 ZINC000040013563 178003707 /nfs/dbraw/zinc/00/37/07/178003707.db2.gz RLFCACUBMLKBTD-UHFFFAOYSA-N 0 0 228.295 2.541 50 0 BFAARN CCOc1ccc(CNC(=O)C2CCCC2)cc1 ZINC000072115693 398177765 /nfs/dbraw/zinc/17/77/65/398177765.db2.gz NPLUCGFUMDJFCA-UHFFFAOYSA-N 0 0 247.338 2.892 50 0 BFAARN Cc1cc(CSc2ccccn2)no1 ZINC000036397125 178053605 /nfs/dbraw/zinc/05/36/05/178053605.db2.gz DONQCBRBVRDVQJ-UHFFFAOYSA-N 0 0 206.270 2.670 50 0 BFAARN CO[C@H](C)C(=O)Nc1cc2ccccc2nc1C ZINC000241132938 398159938 /nfs/dbraw/zinc/15/99/38/398159938.db2.gz JNIKNTBNDMPTIM-SNVBAGLBSA-N 0 0 244.294 2.517 50 0 BFAARN Cc1cc(Cl)n(CC(=O)c2ccccc2)n1 ZINC000044125299 178071829 /nfs/dbraw/zinc/07/18/29/178071829.db2.gz STXIJDXMJOAFSX-UHFFFAOYSA-N 0 0 234.686 2.728 50 0 BFAARN Cc1cc(Cn2ccnc2)c2ccccc2n1 ZINC000071914539 178074792 /nfs/dbraw/zinc/07/47/92/178074792.db2.gz ZQIWBJUSIOCLIE-UHFFFAOYSA-N 0 0 223.279 2.788 50 0 BFAARN Cc1cc(F)c(O)cc1Br ZINC000079019677 178075745 /nfs/dbraw/zinc/07/57/45/178075745.db2.gz REASDODZSVTATN-UHFFFAOYSA-N 0 0 205.026 2.602 50 0 BFAARN Cc1cc(F)ccc1NC(=O)c1ccoc1 ZINC000018229290 178090007 /nfs/dbraw/zinc/09/00/07/178090007.db2.gz XCCDMKKJKGTVTE-UHFFFAOYSA-N 0 0 219.215 2.979 50 0 BFAARN Cc1cc(N)ccc1C(=O)OC(C)(C)C ZINC000039086990 178105860 /nfs/dbraw/zinc/10/58/60/178105860.db2.gz BURPOKPTYKVJAT-UHFFFAOYSA-N 0 0 207.273 2.533 50 0 BFAARN Cc1cc(N2CCNC2=O)ccc1C(C)C ZINC000004110376 178116078 /nfs/dbraw/zinc/11/60/78/178116078.db2.gz LHAPXGBYQLLWJZ-UHFFFAOYSA-N 0 0 218.300 2.648 50 0 BFAARN O=C1Nc2ccccc2O[C@H]1c1ccccc1 ZINC000019046332 538924034 /nfs/dbraw/zinc/92/40/34/538924034.db2.gz OGXCANIFSVBLQV-ZDUSSCGKSA-N 0 0 225.247 2.759 50 0 BFAARN CCC(CC)C(=O)Nc1ccc(C)cn1 ZINC000005393148 168340797 /nfs/dbraw/zinc/34/07/97/168340797.db2.gz LPYXBIGAWHPPQF-UHFFFAOYSA-N 0 0 206.289 2.765 50 0 BFAARN CCC(CC)C(=O)Nc1ccc2c(c1)OCO2 ZINC000000453058 168341318 /nfs/dbraw/zinc/34/13/18/168341318.db2.gz WKLKHFDOQVYRJB-UHFFFAOYSA-N 0 0 235.283 2.790 50 0 BFAARN Cc1cc(NC(=O)N[C@H]2CCCC[C@H]2C)no1 ZINC000009366093 178142764 /nfs/dbraw/zinc/14/27/64/178142764.db2.gz FRXVSEQDCJXPHV-SCZZXKLOSA-N 0 0 237.303 2.683 50 0 BFAARN CCc1cccc(C[NH+]2CCC(C(=O)[O-])CC2)c1 ZINC000576345882 365571487 /nfs/dbraw/zinc/57/14/87/365571487.db2.gz SUZJJQKXORBPLG-UHFFFAOYSA-N 0 0 247.338 2.546 50 0 BFAARN Cc1cc2c(c(Br)c1)CCC2=O ZINC000098178970 187328533 /nfs/dbraw/zinc/32/85/33/187328533.db2.gz GEKKSKKTHXHXLU-UHFFFAOYSA-N 0 0 225.085 2.886 50 0 BFAARN Cc1cc(NC(=O)c2ccc(C)s2)no1 ZINC000013744256 178149981 /nfs/dbraw/zinc/14/99/81/178149981.db2.gz RLFPBDNXBCBJBO-UHFFFAOYSA-N 0 0 222.269 2.605 50 0 BFAARN Cc1cc(NC(=O)c2csc(C)c2C)no1 ZINC000013744264 178151413 /nfs/dbraw/zinc/15/14/13/178151413.db2.gz RROBWVJLBQOROI-UHFFFAOYSA-N 0 0 236.296 2.914 50 0 BFAARN Cc1cc(NC(=S)Nc2ccccc2)n[nH]1 ZINC000018190758 178152440 /nfs/dbraw/zinc/15/24/40/178152440.db2.gz YZYLYOANWPNUNK-UHFFFAOYSA-N 0 0 232.312 2.527 50 0 BFAARN Fc1ccc(OCc2ccccc2)nc1 ZINC000074934332 398210117 /nfs/dbraw/zinc/21/01/17/398210117.db2.gz CXHFAKQPKZHTQW-UHFFFAOYSA-N 0 0 203.216 2.800 50 0 BFAARN COC(=O)c1ccc(-c2ccccc2)cc1O ZINC000074938293 398210331 /nfs/dbraw/zinc/21/03/31/398210331.db2.gz DJSGFYYLFUDUFT-UHFFFAOYSA-N 0 0 228.247 2.846 50 0 BFAARN Cc1cc(NCC2=CCCCC2)n2nccc2n1 ZINC000072448035 178156710 /nfs/dbraw/zinc/15/67/10/178156710.db2.gz RMPFSGQBAWATSC-UHFFFAOYSA-N 0 0 242.326 2.950 50 0 BFAARN Cc1cc(NCCc2ccccc2)nc(C)n1 ZINC000015831934 178163821 /nfs/dbraw/zinc/16/38/21/178163821.db2.gz ZYCZMRFOKXORFP-UHFFFAOYSA-N 0 0 227.311 2.748 50 0 BFAARN Clc1nc(Cl)c2ccnc(Cl)c2n1 ZINC000261506920 187330950 /nfs/dbraw/zinc/33/09/50/187330950.db2.gz CKGWRKCQLNZTDI-UHFFFAOYSA-N 0 0 234.473 2.985 50 0 BFAARN Cc1cc(O)ccc1NC(=O)c1ccccc1 ZINC000000307646 178201076 /nfs/dbraw/zinc/20/10/76/178201076.db2.gz ZXKUBFNVCNOCSV-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 aggregator BFAARN Cc1cc(OCC(F)(F)F)ccc1N ZINC000012395207 178209971 /nfs/dbraw/zinc/20/99/71/178209971.db2.gz NPEPNENAHKUYMT-UHFFFAOYSA-N 0 0 205.179 2.518 50 0 BFAARN Cc1cc(OC[C@H]2CCCCO2)ccc1N ZINC000014630796 178212139 /nfs/dbraw/zinc/21/21/39/178212139.db2.gz XESSDOSKPBDTPW-GFCCVEGCSA-N 0 0 221.300 2.525 50 0 BFAARN CC[C@H](C)[C@@H](C)Nc1ccc2c(c1)C(=O)NC2 ZINC000170592621 361762763 /nfs/dbraw/zinc/76/27/63/361762763.db2.gz YIQWXTNPQVPNDK-VHSXEESVSA-N 0 0 232.327 2.777 50 0 BFAARN CC(=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000014443501 259305482 /nfs/dbraw/zinc/30/54/82/259305482.db2.gz DGBLQRCFBNFTSZ-UHFFFAOYSA-N 0 0 240.258 2.843 50 0 BFAARN Cc1ccc(C)c(CC(=S)N2CCOCC2)c1 ZINC000014608548 259305489 /nfs/dbraw/zinc/30/54/89/259305489.db2.gz WJZIJPILUBHRRT-UHFFFAOYSA-N 0 0 249.379 2.506 50 0 BFAARN CCC(CC)CNC(=O)c1ccc2c(c1)OCO2 ZINC000071847795 168358509 /nfs/dbraw/zinc/35/85/09/168358509.db2.gz VEOMFJGTXRHORN-UHFFFAOYSA-N 0 0 249.310 2.581 50 0 BFAARN Cc1cc([C@H]2CCCN2C(=O)C2CCCC2)on1 ZINC000047265292 178266768 /nfs/dbraw/zinc/26/67/68/178266768.db2.gz HHNHTMVUYUBMSC-GFCCVEGCSA-N 0 0 248.326 2.837 50 0 BFAARN Cc1cc2nnc(-c3ccccc3Cl)n2[nH]1 ZINC000000088633 178276967 /nfs/dbraw/zinc/27/69/67/178276967.db2.gz RKZGTXWGNZITOL-UHFFFAOYSA-N 0 0 232.674 2.686 50 0 BFAARN Cc1cc2c(cc1Br)NC[C@@H](C)O2 ZINC000072314761 178285122 /nfs/dbraw/zinc/28/51/22/178285122.db2.gz STUKZTVEFCFQJX-SSDOTTSWSA-N 0 0 242.116 2.950 50 0 BFAARN Cc1cc2nc(Br)[nH]c2cc1C ZINC000071256241 178299668 /nfs/dbraw/zinc/29/96/68/178299668.db2.gz OSFZZXAKWLOBPG-UHFFFAOYSA-N 0 0 225.089 2.942 50 0 BFAARN Cc1cc2nc(-c3ccc[nH]c3=O)[nH]c2cc1C ZINC000013125346 178300721 /nfs/dbraw/zinc/30/07/21/178300721.db2.gz RFHFUGMAUREQBB-UHFFFAOYSA-N 0 0 239.278 2.535 50 0 BFAARN Cc1cc2c(nc1C)oc1c2nc[nH]c1=S ZINC000071283828 178292843 /nfs/dbraw/zinc/29/28/43/178292843.db2.gz NDCLONWSVZGDAS-UHFFFAOYSA-N 0 0 231.280 2.677 50 0 BFAARN Cc1ccc(-c2nc([C@H]3CCOC3)no2)cc1F ZINC000096139009 178337244 /nfs/dbraw/zinc/33/72/44/178337244.db2.gz HWYHECBQCRGQMB-JTQLQIEISA-N 0 0 248.257 2.688 50 0 BFAARN Cc1ccc(-c2nc3c(s2)C[NH2+]CC3)cc1 ZINC000011568405 178337297 /nfs/dbraw/zinc/33/72/97/178337297.db2.gz LNMRJGNNVLUEHT-UHFFFAOYSA-N 0 0 230.336 2.764 50 0 BFAARN Cc1ccc(-c2nnc([C@@H]3CCOC3)o2)cc1C ZINC000064556912 178340741 /nfs/dbraw/zinc/34/07/41/178340741.db2.gz APYRNFVNZYUASF-GFCCVEGCSA-N 0 0 244.294 2.857 50 0 BFAARN Cc1ccc(-c2nnc([C@H]3CCOC3)o2)s1 ZINC000064556967 178342820 /nfs/dbraw/zinc/34/28/20/178342820.db2.gz MBOQMNJNWSXYGP-QMMMGPOBSA-N 0 0 236.296 2.610 50 0 BFAARN Cc1ccc(-n2c(C)cc(=O)cc2C)cc1 ZINC000010274590 178344971 /nfs/dbraw/zinc/34/49/71/178344971.db2.gz JCLWEWFKPMCRRT-UHFFFAOYSA-N 0 0 213.280 2.763 50 0 BFAARN Cc1ccc(-n2cnc3cc(N)ccc32)cc1 ZINC000052842501 178346740 /nfs/dbraw/zinc/34/67/40/178346740.db2.gz DAQJGJHOLQNINM-UHFFFAOYSA-N 0 0 223.279 2.916 50 0 BFAARN Cc1ccc(-c2n[nH]c3c2C(=O)CCC3)cc1 ZINC000020674294 178331328 /nfs/dbraw/zinc/33/13/28/178331328.db2.gz MTAFLJUYOCNTAE-UHFFFAOYSA-N 0 0 226.279 2.904 50 0 BFAARN Cc1ccc(C=C2SC(=O)NC2=O)c(C)c1 ZINC000012407059 178356031 /nfs/dbraw/zinc/35/60/31/178356031.db2.gz KFYPWWDPFGBNDO-UXBLZVDNSA-N 0 0 233.292 2.627 50 0 BFAARN Cc1ccc(/C=C\C(=O)N[C@H](C)C(C)(C)C)cn1 ZINC000222187866 178358052 /nfs/dbraw/zinc/35/80/52/178358052.db2.gz ANVXMRKOYXXDQC-JLVNDZCYSA-N 0 0 246.354 2.954 50 0 BFAARN Cc1ccc(/C=C/C(=O)NC2CCCC2)o1 ZINC000000376605 178353647 /nfs/dbraw/zinc/35/36/47/178353647.db2.gz DKJPZLGNNHCCCB-CMDGGOBGSA-N 0 0 219.284 2.660 50 0 BFAARN Cc1cc(=O)c2cnn(C3CCCCC3)c2[nH]1 ZINC000032714675 538950662 /nfs/dbraw/zinc/95/06/62/538950662.db2.gz HJWXVNCCQZXMQR-UHFFFAOYSA-N 0 0 231.299 2.538 50 0 BFAARN Cc1ccc(C(=O)N(C)[C@H](C)C2CC2)s1 ZINC000032907030 178381163 /nfs/dbraw/zinc/38/11/63/178381163.db2.gz PWPXOHKFSBNJNB-SECBINFHSA-N 0 0 223.341 2.927 50 0 BFAARN Cc1ccc(C(=O)N2CCC(C)CC2)s1 ZINC000006650802 178384707 /nfs/dbraw/zinc/38/47/07/178384707.db2.gz QHMJLDDVTQQYKF-UHFFFAOYSA-N 0 0 223.341 2.929 50 0 BFAARN Cc1ccc(C(=O)COc2ccccc2O)cc1 ZINC000003204112 178373860 /nfs/dbraw/zinc/37/38/60/178373860.db2.gz SOAJDJZTKFKRID-UHFFFAOYSA-N 0 0 242.274 2.962 50 0 BFAARN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000032903801 178399691 /nfs/dbraw/zinc/39/96/91/178399691.db2.gz KHAILMGSZQWCER-GHMZBOCLSA-N 0 0 232.327 2.508 50 0 BFAARN CC(C)c1ccc(Nc2nnns2)cc1 ZINC000000071577 342672780 /nfs/dbraw/zinc/67/27/80/342672780.db2.gz HRLFLEWEVCJNSR-UHFFFAOYSA-N 0 0 220.301 2.800 50 0 BFAARN O=C1CCCN1c1cccc(C(F)(F)F)c1 ZINC000000083154 342673487 /nfs/dbraw/zinc/67/34/87/342673487.db2.gz LAJKVKMHNNEDGG-UHFFFAOYSA-N 0 0 229.201 2.832 50 0 BFAARN CSc1cc(=O)c2ccccc2s1 ZINC000000084970 342673675 /nfs/dbraw/zinc/67/36/75/342673675.db2.gz HEYIFIUEHPBBSC-UHFFFAOYSA-N 0 0 208.307 2.983 50 0 BFAARN O=C1CCCN=C(Nc2cccc(F)c2)S1 ZINC000000090427 342673700 /nfs/dbraw/zinc/67/37/00/342673700.db2.gz ZQNLYFAJKKRWSJ-UHFFFAOYSA-N 0 0 238.287 2.647 50 0 BFAARN Cc1noc(C)c1C(=O)N(C(C)C)C(C)C ZINC000000112012 342675053 /nfs/dbraw/zinc/67/50/53/342675053.db2.gz PQKRUGTVOXIHMI-UHFFFAOYSA-N 0 0 224.304 2.550 50 0 BFAARN Cc1cc(-c2noc(-c3ccccc3)n2)no1 ZINC000000123457 342675755 /nfs/dbraw/zinc/67/57/55/342675755.db2.gz HUCFXKSFIOXIRS-UHFFFAOYSA-N 0 0 227.223 2.700 50 0 BFAARN CSc1nccc(-c2cccs2)n1 ZINC000000126198 342676069 /nfs/dbraw/zinc/67/60/69/342676069.db2.gz UAYLFPXPMKOTKN-UHFFFAOYSA-N 0 0 208.311 2.927 50 0 BFAARN CC(=O)Nc1ccccc1OC(F)(F)F ZINC000000128900 342676121 /nfs/dbraw/zinc/67/61/21/342676121.db2.gz KZBHIVIJYKKLHL-UHFFFAOYSA-N 0 0 219.162 2.544 50 0 BFAARN CCc1ccc(-c2csc(N)n2)cc1 ZINC000000149190 342677102 /nfs/dbraw/zinc/67/71/02/342677102.db2.gz YDFOGNLELPWXHU-UHFFFAOYSA-N 0 0 204.298 2.955 50 0 BFAARN Fc1ccc(I)cc1F ZINC000000164594 342678767 /nfs/dbraw/zinc/67/87/67/342678767.db2.gz KSASJELKLBIMSG-UHFFFAOYSA-N 0 0 239.990 2.569 50 0 BFAARN CC(C)(C)NC(=O)c1cc2ccccc2o1 ZINC000000168842 342678901 /nfs/dbraw/zinc/67/89/01/342678901.db2.gz FNGYHVMCXWTWFQ-UHFFFAOYSA-N 0 0 217.268 2.961 50 0 BFAARN Cc1cc(-c2sccc2Cl)nc(N)n1 ZINC000000168439 342678918 /nfs/dbraw/zinc/67/89/18/342678918.db2.gz NCCNGSGPPIHEMZ-UHFFFAOYSA-N 0 0 225.704 2.749 50 0 BFAARN CC(C)c1ccc([C@H](O)c2nccn2C)cc1 ZINC000000170002 342678977 /nfs/dbraw/zinc/67/89/77/342678977.db2.gz KTFZKPOSQZUFQB-ZDUSSCGKSA-N 0 0 230.311 2.625 50 0 BFAARN Cc1occc1C(=O)Nc1ccc(N(C)C)cc1 ZINC000000214351 342680379 /nfs/dbraw/zinc/68/03/79/342680379.db2.gz OPSGBMCHESBTBA-UHFFFAOYSA-N 0 0 244.294 2.906 50 0 BFAARN Nc1cccc2[nH]c(-c3ccccc3)nc21 ZINC000000226022 342680515 /nfs/dbraw/zinc/68/05/15/342680515.db2.gz PVNHYDDCQMHWAL-UHFFFAOYSA-N 0 0 209.252 2.812 50 0 BFAARN CCCc1cc(=O)oc2cc(OC(C)=O)ccc12 ZINC000000237751 342680894 /nfs/dbraw/zinc/68/08/94/342680894.db2.gz LYHONYWOPDLTBH-UHFFFAOYSA-N 0 0 246.262 2.671 50 0 BFAARN Cc1cc(C)nc(N(C#N)Cc2ccccc2)n1 ZINC000000242603 342681246 /nfs/dbraw/zinc/68/12/46/342681246.db2.gz CUJLMQIXTBVBIN-UHFFFAOYSA-N 0 0 238.294 2.581 50 0 BFAARN C[C@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000000247750 342681346 /nfs/dbraw/zinc/68/13/46/342681346.db2.gz HQBLYOPXFMIQNV-LLVKDONJSA-N 0 0 229.279 2.641 50 0 BFAARN CC(=O)Nc1ccccc1NC(=O)C(C)(C)C ZINC000000259693 342681584 /nfs/dbraw/zinc/68/15/84/342681584.db2.gz PXLXUSZKNXCLPM-UHFFFAOYSA-N 0 0 234.299 2.630 50 0 BFAARN CCOc1c(Cl)cc(C=O)cc1OC ZINC000000284188 342682158 /nfs/dbraw/zinc/68/21/58/342682158.db2.gz RPBVYQARIAYXAD-UHFFFAOYSA-N 0 0 214.648 2.560 50 0 BFAARN CN(C)c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000000284866 342682176 /nfs/dbraw/zinc/68/21/76/342682176.db2.gz XHTHNECUVDQWAC-UHFFFAOYSA-N 0 0 246.354 2.769 50 0 BFAARN Cc1cc(C)[nH]c(=NOCc2ccccc2)n1 ZINC000000300014 342682570 /nfs/dbraw/zinc/68/25/70/342682570.db2.gz IZQRXPYELZNDMU-UHFFFAOYSA-N 0 0 229.283 2.637 50 0 BFAARN COc1cc(-c2nc3ccccc3[nH]2)ccc1O ZINC000000307302 342682858 /nfs/dbraw/zinc/68/28/58/342682858.db2.gz PBMXKABUKBNTBB-UHFFFAOYSA-N 0 0 240.262 2.944 50 0 BFAARN COc1ccccc1NC(=O)Nc1ccccn1 ZINC000000318920 342683286 /nfs/dbraw/zinc/68/32/86/342683286.db2.gz PPOMWIGRSYMRAU-UHFFFAOYSA-N 0 0 243.266 2.734 50 0 BFAARN O=C(CCc1ccccc1)Nc1ccncc1 ZINC000000327333 342683287 /nfs/dbraw/zinc/68/32/87/342683287.db2.gz HCTYHMHSTZFBDN-UHFFFAOYSA-N 0 0 226.279 2.653 50 0 BFAARN Nc1ccc2nc(-c3ccccc3)cnc2c1 ZINC000000331445 342683629 /nfs/dbraw/zinc/68/36/29/342683629.db2.gz VGCQJYNBINGZKO-UHFFFAOYSA-N 0 0 221.263 2.879 50 0 BFAARN CC(=O)N(c1ccccc1)C1=NCCCCS1 ZINC000000336318 342683782 /nfs/dbraw/zinc/68/37/82/342683782.db2.gz YBCVABBBEWBSFN-UHFFFAOYSA-N 0 0 248.351 2.923 50 0 BFAARN Cc1occc1-c1nc(-c2ccncc2)no1 ZINC000000336627 342683794 /nfs/dbraw/zinc/68/37/94/342683794.db2.gz ZEMIGSGWYISPKG-UHFFFAOYSA-N 0 0 227.223 2.700 50 0 BFAARN COc1cc(Cl)c(Cl)c(N)c1OC ZINC000000336563 342683879 /nfs/dbraw/zinc/68/38/79/342683879.db2.gz LVZMHGQNARHODT-UHFFFAOYSA-N 0 0 222.071 2.593 50 0 BFAARN O=C(c1ccccc1)c1cccnc1Cl ZINC000000343372 342684236 /nfs/dbraw/zinc/68/42/36/342684236.db2.gz KKJGMDXUAOTRBW-UHFFFAOYSA-N 0 0 217.655 2.966 50 0 BFAARN CC(=O)Nc1ccc(NC(C)=O)c2ccccc12 ZINC000000345460 342684442 /nfs/dbraw/zinc/68/44/42/342684442.db2.gz XKHMUEVDKPMGGI-UHFFFAOYSA-N 0 0 242.278 2.757 50 0 BFAARN Cc1ccccc1OCc1ccc(C=O)o1 ZINC000000373428 342685393 /nfs/dbraw/zinc/68/53/93/342685393.db2.gz RKMOJIBXVQWNJG-UHFFFAOYSA-N 0 0 216.236 2.980 50 0 BFAARN CC1=CC2(CC[C@@H]1CO)SCCS2 ZINC000000392830 342686080 /nfs/dbraw/zinc/68/60/80/342686080.db2.gz IACAFCIJTWHDCF-SECBINFHSA-N 0 0 216.371 2.511 50 0 BFAARN CCc1cccc(CC)c1NC(=O)N(C)C ZINC000000396901 342686313 /nfs/dbraw/zinc/68/63/13/342686313.db2.gz KXLPUYQOJCAMBP-UHFFFAOYSA-N 0 0 220.316 2.905 50 0 BFAARN CCN(CC)C(=O)Nc1cccc(OC)c1 ZINC000000395429 342686340 /nfs/dbraw/zinc/68/63/40/342686340.db2.gz IGJPCCKVPXYJBU-UHFFFAOYSA-N 0 0 222.288 2.569 50 0 BFAARN CCOc1ccc(C(=O)c2ccco2)cc1 ZINC000000400140 342686461 /nfs/dbraw/zinc/68/64/61/342686461.db2.gz ITBMRCNTZQFPOT-UHFFFAOYSA-N 0 0 216.236 2.909 50 0 BFAARN COc1ccccc1NC(=O)NC1CCCC1 ZINC000000399270 342686467 /nfs/dbraw/zinc/68/64/67/342686467.db2.gz HVUJFAVHTZXSSB-UHFFFAOYSA-N 0 0 234.299 2.759 50 0 BFAARN CSc1sc(=O)sc1SC ZINC000000403521 342686713 /nfs/dbraw/zinc/68/67/13/342686713.db2.gz ZXNVEXYJVODARP-UHFFFAOYSA-N 0 0 210.370 2.614 50 0 BFAARN CC(C)C(=O)OC[C@H](C)c1ccccc1 ZINC000000406940 342686939 /nfs/dbraw/zinc/68/69/39/342686939.db2.gz LZTCJUAHYXNKRE-NSHDSACASA-N 0 0 206.285 2.989 50 0 endogenous,in-man BFAARN CO[C@@H]1CC/C=C/CC/C=C/CC[C@H]1O ZINC000000409824 342687251 /nfs/dbraw/zinc/68/72/51/342687251.db2.gz NZJRBFVCZFRVNJ-LIOLFEQCSA-N 0 0 210.317 2.829 50 0 BFAARN CSc1nnc(-c2ccc(F)cc2)o1 ZINC000000415856 342687282 /nfs/dbraw/zinc/68/72/82/342687282.db2.gz JIGIGJSWGXSNCD-UHFFFAOYSA-N 0 0 210.233 2.598 50 0 BFAARN CC(=O)CC(=O)Nc1ccccc1C(C)C ZINC000000449281 342687720 /nfs/dbraw/zinc/68/77/20/342687720.db2.gz JJMZZMAAAZGTIJ-UHFFFAOYSA-N 0 0 219.284 2.728 50 0 BFAARN O=C(c1cccc(F)c1F)N1CCCCCC1 ZINC000000444516 342687723 /nfs/dbraw/zinc/68/77/23/342687723.db2.gz BQMUJOBBJOBSPI-UHFFFAOYSA-N 0 0 239.265 2.981 50 0 BFAARN CCCC(=O)Nc1ccc(Br)cn1 ZINC000000444542 342687761 /nfs/dbraw/zinc/68/77/61/342687761.db2.gz GPUHGOJHYYRRJH-UHFFFAOYSA-N 0 0 243.104 2.583 50 0 BFAARN Cc1ccc(NC(=O)C(F)F)c(Cl)c1 ZINC000000451612 342687777 /nfs/dbraw/zinc/68/77/77/342687777.db2.gz LOXVCYDZADOSIF-UHFFFAOYSA-N 0 0 219.618 2.852 50 0 BFAARN CSc1[nH]c2ccccc2c1CC(=O)N(C)C ZINC000000480348 342688664 /nfs/dbraw/zinc/68/86/64/342688664.db2.gz RSOKXCKUYSJZEL-UHFFFAOYSA-N 0 0 248.351 2.521 50 0 BFAARN CCN(C(=O)c1ccco1)c1ccccc1 ZINC000000030004 342669976 /nfs/dbraw/zinc/66/99/76/342669976.db2.gz KWLXAUQLWRZMLH-UHFFFAOYSA-N 0 0 215.252 2.946 50 0 BFAARN O=C(c1ccccc1Cl)n1cc(Cl)cn1 ZINC000000037161 342670636 /nfs/dbraw/zinc/67/06/36/342670636.db2.gz JPCNAVHGWAJRRU-UHFFFAOYSA-N 0 0 241.077 2.878 50 0 BFAARN Nc1cccc(NC(=O)c2cccs2)c1 ZINC000000038192 342670743 /nfs/dbraw/zinc/67/07/43/342670743.db2.gz XXGXTGNFZPKBNN-UHFFFAOYSA-N 0 0 218.281 2.583 50 0 BFAARN Cc1c(C=O)c(C=O)c(C)n1-c1ccccc1 ZINC000000041328 342670952 /nfs/dbraw/zinc/67/09/52/342670952.db2.gz YAJAIRFZIPHSNA-UHFFFAOYSA-N 0 0 227.263 2.719 50 0 BFAARN CC(=O)Nc1ccc2nc(C)sc2c1 ZINC000000050947 342671230 /nfs/dbraw/zinc/67/12/30/342671230.db2.gz XLYNOVXELOHZDY-UHFFFAOYSA-N 0 0 206.270 2.563 50 0 BFAARN COC(OC)c1ccc(Br)cc1 ZINC000000057119 342671837 /nfs/dbraw/zinc/67/18/37/342671837.db2.gz TWFNGPDYMFEHOB-UHFFFAOYSA-N 0 0 231.089 2.741 50 0 BFAARN CC(C)(C)OC(=O)Oc1ccc(C=O)cc1 ZINC000000056878 342671974 /nfs/dbraw/zinc/67/19/74/342671974.db2.gz RRFJMIZWYMSQAE-UHFFFAOYSA-N 0 0 222.240 2.813 50 0 BFAARN CC(=O)CC(=O)Nc1cccc(Cl)c1Cl ZINC000000064256 342672388 /nfs/dbraw/zinc/67/23/88/342672388.db2.gz FDTQHEASYFCFLI-UHFFFAOYSA-N 0 0 246.093 2.911 50 0 BFAARN CC(C)c1ccc(NC(=O)c2cnccn2)cc1 ZINC000000069546 342672700 /nfs/dbraw/zinc/67/27/00/342672700.db2.gz REPKUXPMFWYVDC-UHFFFAOYSA-N 0 0 241.294 2.852 50 0 BFAARN CC(C)c1ccc(C(=S)N2CCOCC2)cc1 ZINC000000555741 342690227 /nfs/dbraw/zinc/69/02/27/342690227.db2.gz DVFUMQDMJKZVOD-UHFFFAOYSA-N 0 0 249.379 2.818 50 0 BFAARN CN(C)c1ccc(NCc2ccncc2)cc1 ZINC000000576247 342690401 /nfs/dbraw/zinc/69/04/01/342690401.db2.gz NVYVQHZMKZXTHK-UHFFFAOYSA-N 0 0 227.311 2.760 50 0 BFAARN C[C@H](CC(=O)Nc1nncs1)c1ccccc1 ZINC000000804765 342693065 /nfs/dbraw/zinc/69/30/65/342693065.db2.gz WTGIKFBKHNYLOG-SECBINFHSA-N 0 0 247.323 2.670 50 0 BFAARN CSc1nc(Cl)cc(C(F)(F)F)n1 ZINC000000967467 342695066 /nfs/dbraw/zinc/69/50/66/342695066.db2.gz GOORQLLDZBAQIW-UHFFFAOYSA-N 0 0 228.626 2.871 50 0 BFAARN Cc1ccc(NC(=O)C2CCCC2)c(O)c1 ZINC000001017152 342695936 /nfs/dbraw/zinc/69/59/36/342695936.db2.gz LTYOVYRJOCYOOO-UHFFFAOYSA-N 0 0 219.284 2.829 50 0 BFAARN Cc1occc1C(=O)N[C@@H](C)C(C)(C)C ZINC000001053606 342696425 /nfs/dbraw/zinc/69/64/25/342696425.db2.gz RGDQHHATFFDSSG-VIFPVBQESA-N 0 0 209.289 2.752 50 0 BFAARN CC(=O)NCCOc1cc(Cl)ccc1Cl ZINC000040544892 259316760 /nfs/dbraw/zinc/31/67/60/259316760.db2.gz JMBSRFBRHIWYDV-UHFFFAOYSA-N 0 0 248.109 2.508 50 0 BFAARN Clc1ccc2nnc(Nc3ccccc3)n2n1 ZINC000001388549 342699652 /nfs/dbraw/zinc/69/96/52/342699652.db2.gz WZEPDOAGXYQXBK-UHFFFAOYSA-N 0 0 245.673 2.521 50 0 BFAARN COC(=O)CCc1ccc(C(C)(C)C)c(O)c1 ZINC000001394486 342699774 /nfs/dbraw/zinc/69/97/74/342699774.db2.gz XEGIQQDIBMDGNO-UHFFFAOYSA-N 0 0 236.311 2.795 50 0 BFAARN CC(C)CSCCC(=O)Nc1ccccn1 ZINC000040523776 259316890 /nfs/dbraw/zinc/31/68/90/259316890.db2.gz GKSHACSYUVEPDQ-UHFFFAOYSA-N 0 0 238.356 2.799 50 0 BFAARN C1=CN2C[C@H](c3ccccc3)N=C2S1 ZINC000001559439 342702848 /nfs/dbraw/zinc/70/28/48/342702848.db2.gz UPMCDOMOBNMTPH-SNVBAGLBSA-N 0 0 202.282 2.617 50 0 in-man BFAARN CCCC(CCC)(C(=O)OCC)C(=O)OCC ZINC000001640006 342706842 /nfs/dbraw/zinc/70/68/42/342706842.db2.gz NNDOHYGFLASMFR-UHFFFAOYSA-N 0 0 244.331 2.699 50 0 BFAARN C/C=C(\C)C(=O)OCCc1ccccc1 ZINC000001695484 342709784 /nfs/dbraw/zinc/70/97/84/342709784.db2.gz KVMWYGAYARXPOL-QDEBKDIKSA-N 0 0 204.269 2.739 50 0 BFAARN Cc1ccc2ccccc2c1NC(N)=S ZINC000002384389 342719488 /nfs/dbraw/zinc/71/94/88/342719488.db2.gz WZBSRYHAMYUUEW-UHFFFAOYSA-N 0 0 216.309 2.804 50 0 BFAARN CC[C@H](NC(=O)N1CCCC1)c1cc(C)ccn1 ZINC000584903222 342713611 /nfs/dbraw/zinc/71/36/11/342713611.db2.gz ZUYAQYBSZSCELW-LBPRGKRZSA-N 0 0 247.342 2.647 50 0 BFAARN CCC[C@H](NC(=O)NCCF)c1cccs1 ZINC000584901659 342713882 /nfs/dbraw/zinc/71/38/82/342713882.db2.gz WTNUAVZFQPISKO-VIFPVBQESA-N 0 0 244.335 2.858 50 0 BFAARN Fc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000002038549 342715166 /nfs/dbraw/zinc/71/51/66/342715166.db2.gz ZZRMDPMUZKDLTO-UHFFFAOYSA-N 0 0 204.126 2.721 50 0 BFAARN CC(=O)[C@@H](C)c1nc2ccccc2s1 ZINC000002048310 342715538 /nfs/dbraw/zinc/71/55/38/342715538.db2.gz ZZDKCNNIPGACNK-SSDOTTSWSA-N 0 0 205.282 2.989 50 0 BFAARN Nc1ccccc1OC(F)(F)C(F)F ZINC000002243210 342717305 /nfs/dbraw/zinc/71/73/05/342717305.db2.gz MUSFRWGGGZNTGC-UHFFFAOYSA-N 0 0 209.142 2.506 50 0 BFAARN Cc1cc(=O)[nH]c2c(C)c(Cl)ccc12 ZINC000004009888 342740817 /nfs/dbraw/zinc/74/08/17/342740817.db2.gz UASKNUBMLMFPOP-UHFFFAOYSA-N 0 0 207.660 2.798 50 0 BFAARN CSc1cccc(NC(=O)Cn2cccc2)c1 ZINC000004101191 342742294 /nfs/dbraw/zinc/74/22/94/342742294.db2.gz UYWSLBAMEWEPQI-UHFFFAOYSA-N 0 0 246.335 2.849 50 0 BFAARN O=C1CCCc2ccc(Br)cc2N1 ZINC000004202777 342743936 /nfs/dbraw/zinc/74/39/36/342743936.db2.gz HZCRDMVVKIJKFI-UHFFFAOYSA-N 0 0 240.100 2.724 50 0 BFAARN O=C1CS[C@H](c2ccc(F)cc2)N1C1CC1 ZINC000004218585 342744621 /nfs/dbraw/zinc/74/46/21/342744621.db2.gz QIEZFSGRYQGRTO-GFCCVEGCSA-N 0 0 237.299 2.562 50 0 BFAARN Nc1ccc2c(cnn2Cc2cccc(F)c2)c1 ZINC000004243147 342745391 /nfs/dbraw/zinc/74/53/91/342745391.db2.gz BTNPJMNKYNWUPD-UHFFFAOYSA-N 0 0 241.269 2.806 50 0 BFAARN CCCn1cc(C=O)c2cc(OC)ccc21 ZINC000004414656 342747688 /nfs/dbraw/zinc/74/76/88/342747688.db2.gz KNBADAAZAKZNQS-UHFFFAOYSA-N 0 0 217.268 2.872 50 0 BFAARN c1coc([C@H]2NCCc3sccc32)c1 ZINC000004513154 342748489 /nfs/dbraw/zinc/74/84/89/342748489.db2.gz HQBCJPJCQGTFIX-NSHDSACASA-N 0 0 205.282 2.576 50 0 BFAARN COc1cc(F)c(Br)c(F)c1 ZINC000002512506 342721847 /nfs/dbraw/zinc/72/18/47/342721847.db2.gz GEJMNTXYFBBTFH-UHFFFAOYSA-N 0 0 223.016 2.736 50 0 BFAARN COc1c(F)cc(F)cc1Br ZINC000002545227 342723550 /nfs/dbraw/zinc/72/35/50/342723550.db2.gz MFXWQGHKLXJIIP-UHFFFAOYSA-N 0 0 223.016 2.736 50 0 BFAARN Cc1sc(C=O)cc1Cn1cc(Cl)cn1 ZINC000002554531 342723773 /nfs/dbraw/zinc/72/37/73/342723773.db2.gz ZCYAHKKJXAUZPU-UHFFFAOYSA-N 0 0 240.715 2.767 50 0 BFAARN Fc1ccc(F)c(Br)c1F ZINC000002560119 342724281 /nfs/dbraw/zinc/72/42/81/342724281.db2.gz CNAXDCSHYHIOGW-UHFFFAOYSA-N 0 0 210.980 2.866 50 0 BFAARN NNc1ccnc2c1cccc2C(F)(F)F ZINC000002564385 342724590 /nfs/dbraw/zinc/72/45/90/342724590.db2.gz CJQJNVOPMJTCHC-UHFFFAOYSA-N 0 0 227.189 2.539 50 0 BFAARN Cc1cnc2[nH]cc(Br)c2c1 ZINC000044712664 342724797 /nfs/dbraw/zinc/72/47/97/342724797.db2.gz NXDMFWNWKLYMHM-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN O=C(CCC1OCCCO1)c1cccc(F)c1 ZINC000002581210 342725439 /nfs/dbraw/zinc/72/54/39/342725439.db2.gz SJDWASFVSWYNDN-UHFFFAOYSA-N 0 0 238.258 2.552 50 0 BFAARN CCSCC(=O)Nc1ccc(F)cc1 ZINC000002866591 342727623 /nfs/dbraw/zinc/72/76/23/342727623.db2.gz CZUIHEOPRQFMGE-UHFFFAOYSA-N 0 0 213.277 2.517 50 0 BFAARN CCCCN(CC)C(=O)c1ccc2c(c1)OCO2 ZINC000002988251 342729072 /nfs/dbraw/zinc/72/90/72/342729072.db2.gz VVAVMZPKEUXHMO-UHFFFAOYSA-N 0 0 249.310 2.678 50 0 BFAARN C=COCCNC(=O)Nc1ccccc1Cl ZINC000002983248 342729090 /nfs/dbraw/zinc/72/90/90/342729090.db2.gz IIJKZEDRHXBTCX-UHFFFAOYSA-N 0 0 240.690 2.622 50 0 BFAARN Cc1nc(Cl)nc(Cl)c1Br ZINC000003024947 342729780 /nfs/dbraw/zinc/72/97/80/342729780.db2.gz RRWAPFKBOJWJGU-UHFFFAOYSA-N 0 0 241.903 2.854 50 0 BFAARN CCCCC(=O)Nc1cccc([C@@H](C)O)c1 ZINC000004666474 342750032 /nfs/dbraw/zinc/75/00/32/342750032.db2.gz AYZWRABPAUXPRO-SNVBAGLBSA-N 0 0 221.300 2.869 50 0 BFAARN Cc1c(O)ccc2c(C)c(Cl)c(=O)oc12 ZINC000004648779 342750070 /nfs/dbraw/zinc/75/00/70/342750070.db2.gz ANWOOWDBJVPAHR-UHFFFAOYSA-N 0 0 224.643 2.769 50 0 BFAARN Nc1nc2c(cccc2C(F)(F)F)s1 ZINC000003888718 342739054 /nfs/dbraw/zinc/73/90/54/342739054.db2.gz FGZBTCDIPNGYRC-UHFFFAOYSA-N 0 0 218.203 2.897 50 0 BFAARN CC[C@H](NC(=O)c1ccccn1)c1ccccc1 ZINC000004783737 342752077 /nfs/dbraw/zinc/75/20/77/342752077.db2.gz PAXGZHDLMSJCFZ-ZDUSSCGKSA-N 0 0 240.306 2.963 50 0 BFAARN Nc1nc2ccc(Br)cc2s1 ZINC000004774482 342752183 /nfs/dbraw/zinc/75/21/83/342752183.db2.gz VZEBSJIOUMDNLY-UHFFFAOYSA-N 0 0 229.102 2.641 50 0 BFAARN CC(C)(C)c1ccc(-c2c[nH]nc2N)cc1 ZINC000004810228 342752369 /nfs/dbraw/zinc/75/23/69/342752369.db2.gz SELQUBRQCXVHRE-UHFFFAOYSA-N 0 0 215.300 2.956 50 0 BFAARN CCN(C(=O)[C@H]1CCCO1)c1ccccc1C ZINC000004815696 342752732 /nfs/dbraw/zinc/75/27/32/342752732.db2.gz UDATYNCUFLSCOZ-CYBMUJFWSA-N 0 0 233.311 2.527 50 0 BFAARN CCN(CC)C(=O)NCc1ccccc1Cl ZINC000004834688 342753014 /nfs/dbraw/zinc/75/30/14/342753014.db2.gz CYVRGOBILBSWNZ-UHFFFAOYSA-N 0 0 240.734 2.891 50 0 BFAARN COC(=O)COc1ccc(C)cc1C(C)(C)C ZINC000004867808 342753648 /nfs/dbraw/zinc/75/36/48/342753648.db2.gz APLAGYKAHULFTG-UHFFFAOYSA-N 0 0 236.311 2.844 50 0 BFAARN CC(C=C1SC(=O)NC1=O)=Cc1ccccc1 ZINC000004995887 342756325 /nfs/dbraw/zinc/75/63/25/342756325.db2.gz XWGJEYLUCQLPAT-BGZVTZOUSA-N 0 0 245.303 2.957 50 0 BFAARN CC(C)n1c2cc(Cl)ccc2oc1=O ZINC000005031907 342756780 /nfs/dbraw/zinc/75/67/80/342756780.db2.gz ANQHWEVESFIYMW-UHFFFAOYSA-N 0 0 211.648 2.829 50 0 BFAARN Clc1ccc2ncn3nc(C4CC4)nc3c2c1 ZINC000170614854 361877697 /nfs/dbraw/zinc/87/76/97/361877697.db2.gz MMSFHJKVPTUDAZ-UHFFFAOYSA-N 0 0 244.685 2.808 50 0 BFAARN Cc1cccc2c3nc(C4CCC4)nn3cnc12 ZINC000170614852 361877813 /nfs/dbraw/zinc/87/78/13/361877813.db2.gz FLLMCMQQXOBHHS-UHFFFAOYSA-N 0 0 238.294 2.853 50 0 BFAARN Cc1oc2ncnc(Nc3cccnc3)c2c1C ZINC000005345595 342762241 /nfs/dbraw/zinc/76/22/41/342762241.db2.gz BDVRBOVSNDYWQJ-UHFFFAOYSA-N 0 0 240.266 2.978 50 0 BFAARN CCCCC(=O)N1CCc2ccccc2C1 ZINC000006039645 342773047 /nfs/dbraw/zinc/77/30/47/342773047.db2.gz VSBSQILDJVDKMW-UHFFFAOYSA-N 0 0 217.312 2.762 50 0 BFAARN O=C(OCc1cnc(Cl)s1)c1ccco1 ZINC000006221990 342775344 /nfs/dbraw/zinc/77/53/44/342775344.db2.gz JWRIHIVOVFLPPQ-UHFFFAOYSA-N 0 0 243.671 2.747 50 0 BFAARN CC[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1C ZINC000006596330 342779845 /nfs/dbraw/zinc/77/98/45/342779845.db2.gz QWDQTEBIJCAEFC-NEPJUHHUSA-N 0 0 235.327 2.677 50 0 BFAARN CCCc1noc(CN2C[C@H](C)C[C@H](C)C2)n1 ZINC000042623153 342779886 /nfs/dbraw/zinc/77/98/86/342779886.db2.gz IIGWTZVQRHPJRX-PHIMTYICSA-N 0 0 237.347 2.500 50 0 BFAARN CCCCS(=O)(=O)Nc1cc(C)ccc1F ZINC000006726553 342781410 /nfs/dbraw/zinc/78/14/10/342781410.db2.gz CEFFHHYBNOCXRX-UHFFFAOYSA-N 0 0 245.319 2.676 50 0 BFAARN COCc1cc(F)ccc1Br ZINC000002528588 342781503 /nfs/dbraw/zinc/78/15/03/342781503.db2.gz VZDHNNAARQPBCA-UHFFFAOYSA-N 0 0 219.053 2.735 50 0 BFAARN Cc1c(N)cccc1NC(=O)C1CCCC1 ZINC000008703445 342802776 /nfs/dbraw/zinc/80/27/76/342802776.db2.gz YAECDYOXTAMELR-UHFFFAOYSA-N 0 0 218.300 2.706 50 0 BFAARN Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)on1 ZINC000040473405 538971388 /nfs/dbraw/zinc/97/13/88/538971388.db2.gz RNGUBFLCWHVTMN-NWDGAFQWSA-N 0 0 248.326 2.635 50 0 BFAARN Cc1ccc(NC(=O)CC(C)C)cc1N ZINC000008703520 342802883 /nfs/dbraw/zinc/80/28/83/342802883.db2.gz BKALDVATHWWULE-UHFFFAOYSA-N 0 0 206.289 2.562 50 0 BFAARN Brc1nc(C2CC2)n2ccccc12 ZINC000020263927 342789593 /nfs/dbraw/zinc/78/95/93/342789593.db2.gz YCRGLMSPLUGYES-UHFFFAOYSA-N 0 0 237.100 2.974 50 0 BFAARN FC(F)c1cc(-c2ccco2)nc2ccnn21 ZINC000002747871 342793202 /nfs/dbraw/zinc/79/32/02/342793202.db2.gz KOGALMPFVSYVFI-UHFFFAOYSA-N 0 0 235.193 2.927 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)C2CC2)c(C)c1 ZINC000002765886 342793452 /nfs/dbraw/zinc/79/34/52/342793452.db2.gz UFCODLRYDPFTLH-NSHDSACASA-N 0 0 217.312 2.891 50 0 BFAARN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCCCC1 ZINC000040584934 538972500 /nfs/dbraw/zinc/97/25/00/538972500.db2.gz SOPJKQLPXWGEQG-RISCZKNCSA-N 0 0 245.322 2.564 50 0 BFAARN CCC(CC)Oc1ccc(S(C)(=O)=O)cc1 ZINC000225622731 168395081 /nfs/dbraw/zinc/39/50/81/168395081.db2.gz YNNXSTIKMFERMA-UHFFFAOYSA-N 0 0 242.340 2.658 50 0 BFAARN Cc1ccc(C(=O)O[C@@H](C)c2cnoc2C)o1 ZINC000241869002 178444298 /nfs/dbraw/zinc/44/42/98/178444298.db2.gz STPLUKWYYZGJEO-QMMMGPOBSA-N 0 0 235.239 2.802 50 0 BFAARN Cc1ccc(CSc2nsc(N)n2)cc1 ZINC000008728845 342803853 /nfs/dbraw/zinc/80/38/53/342803853.db2.gz OXEMMEVCUZGELF-UHFFFAOYSA-N 0 0 237.353 2.721 50 0 BFAARN CC[C@H]1C[N@H+](CCCc2ccccc2)CCN1C ZINC000032551028 342833608 /nfs/dbraw/zinc/83/36/08/342833608.db2.gz RPRVLBJAPXPGKX-INIZCTEOSA-N 0 0 246.398 2.645 50 0 BFAARN CSc1cccc(-c2cc(C)nc(N)n2)c1 ZINC000032558308 342837335 /nfs/dbraw/zinc/83/73/35/342837335.db2.gz ZVKXINXXULPCTA-UHFFFAOYSA-N 0 0 231.324 2.756 50 0 BFAARN C[C@H](C(=O)Nc1cccc(Cl)c1)n1ccnc1 ZINC000048333337 539008291 /nfs/dbraw/zinc/00/82/91/539008291.db2.gz MDQZCAKFQGEYLE-SECBINFHSA-N 0 0 249.701 2.736 50 0 BFAARN Cc1cccc(-c2nc(CN3CCCC3)no2)c1 ZINC000051559022 539011681 /nfs/dbraw/zinc/01/16/81/539011681.db2.gz JGVBOHJXKOJEEW-UHFFFAOYSA-N 0 0 243.310 2.641 50 0 BFAARN CCCC(=O)C1=C(O)CC[C@H](C(C)C)C1 ZINC000109253559 539027790 /nfs/dbraw/zinc/02/77/90/539027790.db2.gz YUGLCPNBZCECTO-QWRGUYRKSA-N 0 0 210.317 2.997 50 0 BFAARN CC1CC(C(=O)N2CCCCCCC2)C1 ZINC000104238889 539015061 /nfs/dbraw/zinc/01/50/61/539015061.db2.gz SPPYDVSJMRUHSM-UHFFFAOYSA-N 0 0 209.333 2.825 50 0 BFAARN CCc1nc(SCc2ccc(F)cc2)n[nH]1 ZINC000011990825 342845701 /nfs/dbraw/zinc/84/57/01/342845701.db2.gz PDRCRYDIGWFQFO-UHFFFAOYSA-N 0 0 237.303 2.799 50 0 BFAARN CCOc1ccc(/C=C/C(=O)N2CCCC2)cc1 ZINC000012138404 342846968 /nfs/dbraw/zinc/84/69/68/342846968.db2.gz RZPYTOWHQDKZKO-JXMROGBWSA-N 0 0 245.322 2.721 50 0 BFAARN COC(=O)c1sc(C(F)(F)F)cc1OC ZINC000012396830 342851258 /nfs/dbraw/zinc/85/12/58/342851258.db2.gz BUFKPALRMRXESZ-UHFFFAOYSA-N 0 0 240.202 2.562 50 0 BFAARN O=C1CCCOc2ccc(Br)cc21 ZINC000012505428 342852737 /nfs/dbraw/zinc/85/27/37/342852737.db2.gz JMIWCASGALGDMJ-UHFFFAOYSA-N 0 0 241.084 2.804 50 0 BFAARN CC[C@H](O)c1ccc(-c2cc[nH]n2)cc1 ZINC000032580993 342853159 /nfs/dbraw/zinc/85/31/59/342853159.db2.gz DUKOJRPFWVFUPQ-LBPRGKRZSA-N 0 0 202.257 2.520 50 0 BFAARN CCN(CC)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000012535070 342853690 /nfs/dbraw/zinc/85/36/90/342853690.db2.gz VGFJYVYHWTZZII-UHFFFAOYSA-N 0 0 243.310 2.559 50 0 BFAARN O=C(CCc1cccs1)NC1CCCC1 ZINC000032675803 342861075 /nfs/dbraw/zinc/86/10/75/342861075.db2.gz JNHLBOAJXKBQOT-UHFFFAOYSA-N 0 0 223.341 2.740 50 0 BFAARN CC(C)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000012936305 342861345 /nfs/dbraw/zinc/86/13/45/342861345.db2.gz ZGLUZJBCPVGFND-LLVKDONJSA-N 0 0 235.352 2.996 50 0 BFAARN Cc1ccc(C)c([C@H](C)NC(=O)C2CC2)c1 ZINC000012976140 342862116 /nfs/dbraw/zinc/86/21/16/342862116.db2.gz DKEKGYLJRSPURB-NSHDSACASA-N 0 0 217.312 2.891 50 0 BFAARN Nc1ncc2c(n1)-c1cc(Cl)ccc1SC2 ZINC000012958767 342862168 /nfs/dbraw/zinc/86/21/68/342862168.db2.gz UZJPMIAQMGQZSN-UHFFFAOYSA-N 0 0 249.726 2.985 50 0 BFAARN Nc1nc2cc(Br)ccc2s1 ZINC000012959084 342862178 /nfs/dbraw/zinc/86/21/78/342862178.db2.gz ZPUJTWBWSOOMRP-UHFFFAOYSA-N 0 0 229.102 2.641 50 0 BFAARN Cc1occc1C(=O)Nc1cc(C)cc(C)n1 ZINC000013004277 342862792 /nfs/dbraw/zinc/86/27/92/342862792.db2.gz YWUNJAGBIBFCCJ-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN Cn1ccnc1Sc1ncnc2sccc21 ZINC000013109754 342863575 /nfs/dbraw/zinc/86/35/75/342863575.db2.gz SBVLQTWFRBGSQP-UHFFFAOYSA-N 0 0 248.336 2.576 50 0 BFAARN CCOc1ccc(CC(=O)NC2CCCC2)cc1 ZINC000013329239 342865691 /nfs/dbraw/zinc/86/56/91/342865691.db2.gz SOTUWILORUKEDR-UHFFFAOYSA-N 0 0 247.338 2.687 50 0 BFAARN N#CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000138445995 342866284 /nfs/dbraw/zinc/86/62/84/342866284.db2.gz ZYAUNVXZXNJJAN-UHFFFAOYSA-N 0 0 200.024 2.700 50 0 BFAARN O=C(c1ccsc1)N1CCCCCC1 ZINC000032731151 342870613 /nfs/dbraw/zinc/87/06/13/342870613.db2.gz FBCCISMTQSDURX-UHFFFAOYSA-N 0 0 209.314 2.764 50 0 BFAARN Oc1csc(Nc2cccc3ccccc32)n1 ZINC000012866807 342859650 /nfs/dbraw/zinc/85/96/50/342859650.db2.gz PEVNNTKNJXSGGZ-UHFFFAOYSA-N 0 0 242.303 2.881 50 0 BFAARN C[C@@H](O)c1ccc(F)c(C(F)(F)F)c1 ZINC000015442956 342896426 /nfs/dbraw/zinc/89/64/26/342896426.db2.gz VVMUNUHSORCOAL-RXMQYKEDSA-N 0 0 208.154 2.898 50 0 BFAARN COCCc1noc(C2CCCCCC2)n1 ZINC000096406045 398317584 /nfs/dbraw/zinc/31/75/84/398317584.db2.gz VDBMZAVQHLAFOE-UHFFFAOYSA-N 0 0 224.304 2.696 50 0 BFAARN O=C(NC(C1CC1)C1CC1)c1cccs1 ZINC000032903629 342899100 /nfs/dbraw/zinc/89/91/00/342899100.db2.gz OYRBICRJFDWSHX-UHFFFAOYSA-N 0 0 221.325 2.667 50 0 BFAARN Nc1ccc(Oc2cccnc2)c(F)c1 ZINC000014630739 342883079 /nfs/dbraw/zinc/88/30/79/342883079.db2.gz LZWSCQVAQJVIJQ-UHFFFAOYSA-N 0 0 204.204 2.595 50 0 BFAARN Clc1ncc(Br)c2[nH]ccc21 ZINC000014986233 342890470 /nfs/dbraw/zinc/89/04/70/342890470.db2.gz QVOWRZHOWQAPFS-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Nc1n[nH]c2cccc(Oc3ccccc3)c12 ZINC000015020395 342890700 /nfs/dbraw/zinc/89/07/00/342890700.db2.gz YQZSMAKADDTQKQ-UHFFFAOYSA-N 0 0 225.251 2.937 50 0 BFAARN O=C(CCc1ccccc1Cl)NCC1CC1 ZINC000032909825 342905091 /nfs/dbraw/zinc/90/50/91/342905091.db2.gz BTBMGMLDSSXUMN-UHFFFAOYSA-N 0 0 237.730 2.799 50 0 BFAARN O=C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000015772412 342900887 /nfs/dbraw/zinc/90/08/87/342900887.db2.gz AVUDXLOVIBJFQA-UHFFFAOYSA-N 0 0 237.302 2.661 50 0 in-vitro BFAARN CC1(C)Oc2ccc(Br)cc2O1 ZINC000016605467 342913406 /nfs/dbraw/zinc/91/34/06/342913406.db2.gz DBVCFVNYPVLZKX-UHFFFAOYSA-N 0 0 229.073 2.956 50 0 BFAARN CCOc1ccc(NC(=O)CC)c2cccnc12 ZINC000015840875 342902165 /nfs/dbraw/zinc/90/21/65/342902165.db2.gz SYUWRWZLLGYGSD-UHFFFAOYSA-N 0 0 244.294 2.982 50 0 BFAARN CC[C@@H](C)NC(=O)CCc1ccccc1 ZINC000003161301 346870634 /nfs/dbraw/zinc/87/06/34/346870634.db2.gz BYDJCLVUFHDMRQ-LLVKDONJSA-N 0 0 205.301 2.534 50 0 BFAARN Nc1ccc(-c2ccc(Cl)cc2)cn1 ZINC000016946495 342917819 /nfs/dbraw/zinc/91/78/19/342917819.db2.gz LVARCJGOURVXJL-UHFFFAOYSA-N 0 0 204.660 2.984 50 0 BFAARN COC(=O)c1cncc(-c2ccc(C)cc2)c1 ZINC000016946697 342917883 /nfs/dbraw/zinc/91/78/83/342917883.db2.gz FTAHAUDTXYMHDP-UHFFFAOYSA-N 0 0 227.263 2.844 50 0 BFAARN COc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000016971615 342918110 /nfs/dbraw/zinc/91/81/10/342918110.db2.gz COSNGNOZECLPTG-KWBADKCTSA-N 0 0 233.311 2.528 50 0 BFAARN COC(=O)CCSCc1ccc(F)cc1 ZINC000016971085 342918153 /nfs/dbraw/zinc/91/81/53/342918153.db2.gz WRNLVHVNZPOZMT-UHFFFAOYSA-N 0 0 228.288 2.622 50 0 BFAARN Cc1cc(C)n(C(=O)c2ccc(C)s2)n1 ZINC000016970410 342918159 /nfs/dbraw/zinc/91/81/59/342918159.db2.gz ABNGRYCVYCPXNA-UHFFFAOYSA-N 0 0 220.297 2.558 50 0 BFAARN CCN(C(=O)c1cccc2c1ccn2C)C1CC1 ZINC000069369119 398329755 /nfs/dbraw/zinc/32/97/55/398329755.db2.gz BHBCWLQBPSYAEG-UHFFFAOYSA-N 0 0 242.322 2.803 50 0 BFAARN Cc1ccc(C)c(C(=O)NCC(C)C)c1 ZINC000000514729 178465477 /nfs/dbraw/zinc/46/54/77/178465477.db2.gz REXKDJRXTDOROL-UHFFFAOYSA-N 0 0 205.301 2.689 50 0 BFAARN CCCn1nc(N)c2c1cccc2Cl ZINC000019092264 342941329 /nfs/dbraw/zinc/94/13/29/342941329.db2.gz KYBNMNFGKBFZHJ-UHFFFAOYSA-N 0 0 209.680 2.682 50 0 BFAARN CCCCN(C)C(=O)c1cccnc1Cl ZINC000019269066 342945030 /nfs/dbraw/zinc/94/50/30/342945030.db2.gz ZPYNRNVGGRDWDO-UHFFFAOYSA-N 0 0 226.707 2.607 50 0 BFAARN CC(C)(C)OC(=O)Nc1cccc(N)c1 ZINC000019415301 342948215 /nfs/dbraw/zinc/94/82/15/342948215.db2.gz IEUIEMIRUXSXCL-UHFFFAOYSA-N 0 0 208.261 2.616 50 0 in-vitro BFAARN Nc1cccc(NC(=O)c2ccccc2F)c1 ZINC000019736029 342955450 /nfs/dbraw/zinc/95/54/50/342955450.db2.gz VDWDYIZMANGFJV-UHFFFAOYSA-N 0 0 230.242 2.660 50 0 BFAARN CC(C)c1ccc(-c2noc([C@@H](C)N)n2)cc1 ZINC000019785456 342957399 /nfs/dbraw/zinc/95/73/99/342957399.db2.gz KVLHGMLYZICNNW-SECBINFHSA-N 0 0 231.299 2.880 50 0 BFAARN CC(C)[C@H]([NH2+]Cc1ccccc1Cl)C(=O)[O-] ZINC000019787751 342957775 /nfs/dbraw/zinc/95/77/75/342957775.db2.gz BZZDYPIEOAOHTL-NSHDSACASA-N 0 0 241.718 2.539 50 0 BFAARN Clc1ccnc(Nc2ccccc2)n1 ZINC000019801030 342958189 /nfs/dbraw/zinc/95/81/89/342958189.db2.gz GNFKGFRWERSGIY-UHFFFAOYSA-N 0 0 205.648 2.874 50 0 BFAARN Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000019732216 342954948 /nfs/dbraw/zinc/95/49/48/342954948.db2.gz PEJLBNVUSCTMEX-UHFFFAOYSA-N 0 0 228.082 2.761 50 0 BFAARN O=C(C[NH2+]C1CCCCC1)Nc1ccccc1 ZINC000020035683 342966581 /nfs/dbraw/zinc/96/65/81/342966581.db2.gz RJZANQMLFZYQQE-UHFFFAOYSA-N 0 0 232.327 2.547 50 0 BFAARN Nc1cc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000020078669 342968146 /nfs/dbraw/zinc/96/81/46/342968146.db2.gz SFBXQIVENKIUIQ-UHFFFAOYSA-N 0 0 228.173 2.943 50 0 BFAARN CC[C@@H](C)NC(=O)N[C@H](C)c1ccccc1 ZINC000020572997 342991249 /nfs/dbraw/zinc/99/12/49/342991249.db2.gz IHVHLHIGUVSVPV-GHMZBOCLSA-N 0 0 220.316 2.845 50 0 BFAARN N[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000020592715 342991660 /nfs/dbraw/zinc/99/16/60/342991660.db2.gz BIQHNLUUSFOCKK-CQSZACIVSA-N 0 0 224.263 2.876 50 0 BFAARN O=C(CCn1cccn1)Nc1ccccc1Cl ZINC000020602976 342992184 /nfs/dbraw/zinc/99/21/84/342992184.db2.gz ZLJWZIRZYXBXJC-UHFFFAOYSA-N 0 0 249.701 2.565 50 0 BFAARN Cc1ccc(N[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000020313099 342981671 /nfs/dbraw/zinc/98/16/71/342981671.db2.gz ZTFSAOUYEYWHPU-NSHDSACASA-N 0 0 234.343 2.710 50 0 BFAARN Clc1ccccc1CNc1ncccn1 ZINC000021039795 343002584 /nfs/dbraw/zinc/00/25/84/343002584.db2.gz BHLMHANVTWPPBT-UHFFFAOYSA-N 0 0 219.675 2.742 50 0 BFAARN Cc1ccc(NC(=O)c2cc(F)cc(F)c2)nc1 ZINC000021877112 343025207 /nfs/dbraw/zinc/02/52/07/343025207.db2.gz CLJUADZCBATKQI-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN Cc1ccc(C)c(NC(=S)N(C)C)c1 ZINC000013659072 178484622 /nfs/dbraw/zinc/48/46/22/178484622.db2.gz PLEQLRPCCKRYJZ-UHFFFAOYSA-N 0 0 208.330 2.562 50 0 BFAARN O=C(OCc1ccccc1)N1C=CCCC1 ZINC000022057609 343037412 /nfs/dbraw/zinc/03/74/12/343037412.db2.gz LLRZWESXFFNSKX-UHFFFAOYSA-N 0 0 217.268 2.933 50 0 in-vitro BFAARN CC(C)n1nccc1NC(=O)c1ccsc1 ZINC000022290014 343046364 /nfs/dbraw/zinc/04/63/64/343046364.db2.gz JAOJIQYFBLHGFK-UHFFFAOYSA-N 0 0 235.312 2.778 50 0 BFAARN Cc1ccsc1C(=O)Nc1ccncc1 ZINC000022519701 343050829 /nfs/dbraw/zinc/05/08/29/343050829.db2.gz GURJRSCFQPWPLR-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN O=C(c1cc(F)ccc1F)N1CCCCCC1 ZINC000023119849 343059223 /nfs/dbraw/zinc/05/92/23/343059223.db2.gz LSRJDOPDHPVZNY-UHFFFAOYSA-N 0 0 239.265 2.981 50 0 BFAARN O=C(CCc1cccc(F)c1)Nc1ccncc1 ZINC000024620118 343073748 /nfs/dbraw/zinc/07/37/48/343073748.db2.gz ZSTDBWOSRNTMKR-UHFFFAOYSA-N 0 0 244.269 2.792 50 0 BFAARN C[C@H](CNC(=O)c1ccco1)c1ccccc1 ZINC000023444849 343064517 /nfs/dbraw/zinc/06/45/17/343064517.db2.gz VSPCRCDQVNEGHK-LLVKDONJSA-N 0 0 229.279 2.813 50 0 BFAARN C[C@@H](CNC(=O)c1ccco1)c1ccccc1 ZINC000023444846 343064610 /nfs/dbraw/zinc/06/46/10/343064610.db2.gz VSPCRCDQVNEGHK-NSHDSACASA-N 0 0 229.279 2.813 50 0 BFAARN Cc1ccc(C)c(NC(=O)C2CCOCC2)c1 ZINC000023623109 343066242 /nfs/dbraw/zinc/06/62/42/343066242.db2.gz DVBNROKGBKDIHD-UHFFFAOYSA-N 0 0 233.311 2.669 50 0 BFAARN Cc1cc(C(=O)NC(C)(C)CC(C)(C)C)on1 ZINC000042704696 362019097 /nfs/dbraw/zinc/01/90/97/362019097.db2.gz RNRHSBNJOWKLPW-UHFFFAOYSA-N 0 0 238.331 2.928 50 0 BFAARN Cc1csc(NC(=O)CCc2ccco2)n1 ZINC000025053767 343084344 /nfs/dbraw/zinc/08/43/44/343084344.db2.gz USJOVZZVCWABJN-UHFFFAOYSA-N 0 0 236.296 2.616 50 0 BFAARN Cc1cccc(CS[C@H](C)C(=O)NC2CC2)c1 ZINC000071818613 362035246 /nfs/dbraw/zinc/03/52/46/362035246.db2.gz HIIQOCPNXXWMAT-LLVKDONJSA-N 0 0 249.379 2.895 50 0 BFAARN C[NH+](C)Cc1ccccc1NC(=O)c1ccoc1 ZINC000024811508 343077985 /nfs/dbraw/zinc/07/79/85/343077985.db2.gz XBCOFSNQNXSALF-UHFFFAOYSA-N 0 0 244.294 2.594 50 0 BFAARN COC(=O)CCCSc1ccccc1 ZINC000026480389 343106013 /nfs/dbraw/zinc/10/60/13/343106013.db2.gz ZSEFMFKDQORXAB-UHFFFAOYSA-N 0 0 210.298 2.732 50 0 BFAARN CC(C)(C)C[C@@H]1CCCN1C(=S)NC1CC1 ZINC000069981156 343108855 /nfs/dbraw/zinc/10/88/55/343108855.db2.gz TVQHMBMHVIPWOK-NSHDSACASA-N 0 0 240.416 2.924 50 0 BFAARN CCOc1ncccc1NC(=O)C[C@H]1C=CCC1 ZINC000027514800 343117639 /nfs/dbraw/zinc/11/76/39/343117639.db2.gz RWPJTXVVWAQUAF-NSHDSACASA-N 0 0 246.310 2.775 50 0 BFAARN CC(C)(C)C(=O)Nc1cccc2c[nH]nc21 ZINC000026918692 343111204 /nfs/dbraw/zinc/11/12/04/343111204.db2.gz JCBGVGAHRWZAQC-UHFFFAOYSA-N 0 0 217.272 2.548 50 0 BFAARN CCOc1ccc([C@@H](C)NC(=O)C2CC2)cc1 ZINC000001172738 343138912 /nfs/dbraw/zinc/13/89/12/343138912.db2.gz OPOROGBIKSJXGE-SNVBAGLBSA-N 0 0 233.311 2.673 50 0 BFAARN O[C@H](CNc1ccccc1)COc1ccccc1 ZINC000005162462 343139441 /nfs/dbraw/zinc/13/94/41/343139441.db2.gz DSXTWXWHWLDHFS-CQSZACIVSA-N 0 0 243.306 2.538 50 0 BFAARN CC(=O)c1ccc(Br)s1 ZINC000000096540 187244571 /nfs/dbraw/zinc/24/45/71/187244571.db2.gz IGBZCOWXSCWSHO-UHFFFAOYSA-N 0 0 205.076 2.713 50 0 BFAARN Cc1ccnc(NC(=O)c2cccs2)c1 ZINC000000051966 187242468 /nfs/dbraw/zinc/24/24/68/187242468.db2.gz XEOAOYBSEQTULG-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN CC(=O)Nc1nc2c(cccc2C)s1 ZINC000000190884 187244201 /nfs/dbraw/zinc/24/42/01/187244201.db2.gz REWPYVREDAQTMO-UHFFFAOYSA-N 0 0 206.270 2.563 50 0 BFAARN CC(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000000001075 187244213 /nfs/dbraw/zinc/24/42/13/187244213.db2.gz QTNZYVAMNRDUAD-UHFFFAOYSA-N 0 0 207.273 2.822 50 0 in-man BFAARN CCOC(=O)c1ccccc1NC(=O)C=C(C)C ZINC000000145624 187244360 /nfs/dbraw/zinc/24/43/60/187244360.db2.gz OEMJAERIXJTMSL-UHFFFAOYSA-N 0 0 247.294 2.768 50 0 BFAARN Cc1ccc(OCCCn2ccnc2)c(C)c1 ZINC000002494147 187245630 /nfs/dbraw/zinc/24/56/30/187245630.db2.gz FYMFFPDYKWHVSK-UHFFFAOYSA-N 0 0 230.311 2.969 50 0 BFAARN CCOC(=O)[C@H]1C[C@H]1c1ccc(C)cc1 ZINC000002549405 187246083 /nfs/dbraw/zinc/24/60/83/187246083.db2.gz JWOBMCBGTXAJBG-RYUDHWBXSA-N 0 0 204.269 2.662 50 0 BFAARN CC(=O)CCc1ccc(OC(F)F)cc1 ZINC000003246463 187246306 /nfs/dbraw/zinc/24/63/06/187246306.db2.gz ABLIXIYSRZALED-UHFFFAOYSA-N 0 0 214.211 2.810 50 0 BFAARN Cc1ccc2[nH]c(C(=O)N3CCCC3)cc2c1 ZINC000004702590 187246672 /nfs/dbraw/zinc/24/66/72/187246672.db2.gz CZBYEFZSTJRISG-UHFFFAOYSA-N 0 0 228.295 2.712 50 0 BFAARN Cc1cc(C)cc(NC(=O)CCn2ccnc2)c1 ZINC000005268955 187247483 /nfs/dbraw/zinc/24/74/83/187247483.db2.gz VGAVWKJYAMODNA-UHFFFAOYSA-N 0 0 243.310 2.529 50 0 BFAARN Cc1cc(I)cc(C)c1O ZINC000000162655 187244622 /nfs/dbraw/zinc/24/46/22/187244622.db2.gz HUUNIMCCAGNBDF-UHFFFAOYSA-N 0 0 248.063 2.614 50 0 BFAARN CC(C)Cn1c2ccccc2nc1[C@H](C)O ZINC000000210234 187244634 /nfs/dbraw/zinc/24/46/34/187244634.db2.gz AJEPMHCNHZHBDI-JTQLQIEISA-N 0 0 218.300 2.746 50 0 BFAARN CC(C)(C)OC(=O)CCCC(=O)OC(C)(C)C ZINC000002170671 187245055 /nfs/dbraw/zinc/24/50/55/187245055.db2.gz FXJKNCDSABKERB-UHFFFAOYSA-N 0 0 244.331 2.840 50 0 BFAARN CCc1cnn2c1nc(Cl)cc2Cl ZINC000030678380 343193508 /nfs/dbraw/zinc/19/35/08/343193508.db2.gz QFSOXHZZXZVMHY-UHFFFAOYSA-N 0 0 216.071 2.599 50 0 BFAARN CC(C)(C)[C@H](O)/C=C/c1ccc2c(c1)OCO2 ZINC000002005958 187245432 /nfs/dbraw/zinc/24/54/32/187245432.db2.gz IBLNKMRFIPWSOY-VUDGCMKMSA-N 0 0 234.295 2.836 50 0 world BFAARN Cc1nscc1NC(=O)OC(C)(C)C ZINC000031776843 343224390 /nfs/dbraw/zinc/22/43/90/343224390.db2.gz KIQMUEBPBWDMKO-UHFFFAOYSA-N 0 0 214.290 2.799 50 0 BFAARN CSc1ccc(C(=O)CCC(C)=O)cc1 ZINC000012336280 187250837 /nfs/dbraw/zinc/25/08/37/187250837.db2.gz HSJZPSYCLXIRPN-UHFFFAOYSA-N 0 0 222.309 2.960 50 0 BFAARN CSc1ccc(C)c(C(=O)NCC2CC2)c1 ZINC000012894419 187250850 /nfs/dbraw/zinc/25/08/50/187250850.db2.gz JROCGBLSCDORHO-UHFFFAOYSA-N 0 0 235.352 2.857 50 0 BFAARN Cc1nc(CSc2nc3ccccc3o2)no1 ZINC000048387943 343257811 /nfs/dbraw/zinc/25/78/11/343257811.db2.gz OIPLNJQUOFOWFP-UHFFFAOYSA-N 0 0 247.279 2.812 50 0 BFAARN COC(=O)c1ccccc1SC(C)C ZINC000034061837 343263923 /nfs/dbraw/zinc/26/39/23/343263923.db2.gz PYOGZXOVBWKXFK-UHFFFAOYSA-N 0 0 210.298 2.974 50 0 BFAARN c1cc2cc(C3=NCCS3)ccc2[nH]1 ZINC000584904518 343266954 /nfs/dbraw/zinc/26/69/54/343266954.db2.gz KMDSPLKUYZTKHA-UHFFFAOYSA-N 0 0 202.282 2.661 50 0 BFAARN CCCCOC[C@@H](O)CSCCCC ZINC000002870993 343270323 /nfs/dbraw/zinc/27/03/23/343270323.db2.gz HOPLYCXOTGEXLU-LLVKDONJSA-N 0 0 220.378 2.697 50 0 BFAARN Cc1ccc2oc(=O)n(Cc3ccccc3)c2c1 ZINC000000806272 343270390 /nfs/dbraw/zinc/27/03/90/343270390.db2.gz OHZOKKGTLRVETE-UHFFFAOYSA-N 0 0 239.274 2.951 50 0 in-vivo BFAARN O=C1NC2(CCCCCC2)Nc2ccccc21 ZINC000034483021 343272314 /nfs/dbraw/zinc/27/23/14/343272314.db2.gz PXADIMWHZWCHOB-UHFFFAOYSA-N 0 0 230.311 2.892 50 0 BFAARN Cc1ccc2[nH]c3c(c2c1)CCC[C@]3(C)C(N)=O ZINC000004030552 343272819 /nfs/dbraw/zinc/27/28/19/343272819.db2.gz GFJVQPVBWHGBRJ-HNNXBMFYSA-N 0 0 242.322 2.556 50 0 BFAARN Cc1cccc(C)c1NC(=O)C1(O)CCCCC1 ZINC000003160474 343272988 /nfs/dbraw/zinc/27/29/88/343272988.db2.gz QQCBLNYQIWUEJC-UHFFFAOYSA-N 0 0 247.338 2.937 50 0 BFAARN CC(=O)NCc1ccc(C(C)(C)C)s1 ZINC000004030563 343273507 /nfs/dbraw/zinc/27/35/07/343273507.db2.gz JRTVJGLJNDGFPJ-UHFFFAOYSA-N 0 0 211.330 2.682 50 0 BFAARN Cc1cnccc1NC(=O)OC(C)(C)C ZINC000034515199 343273861 /nfs/dbraw/zinc/27/38/61/343273861.db2.gz RZPXITSRAQPKRU-UHFFFAOYSA-N 0 0 208.261 2.737 50 0 BFAARN Cc1nnc(SC[C@@H]2CCC(C)(C)O2)s1 ZINC000187336530 343281891 /nfs/dbraw/zinc/28/18/91/343281891.db2.gz GSNZBUUWCOZHBL-QMMMGPOBSA-N 0 0 244.385 2.896 50 0 BFAARN Cc1ccc(Br)c2cn(C)nc21 ZINC000036533451 343319873 /nfs/dbraw/zinc/31/98/73/343319873.db2.gz YPDXDWNYMHERND-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Cc1ccc(Br)c2cnn(C)c21 ZINC000036533430 343319968 /nfs/dbraw/zinc/31/99/68/343319968.db2.gz DVFVSUZMEVFBPV-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Cc1cc(C=O)cc(C)c1OCC1CC1 ZINC000036765378 343323719 /nfs/dbraw/zinc/32/37/19/343323719.db2.gz KXULMKBTRGMRCL-UHFFFAOYSA-N 0 0 204.269 2.905 50 0 BFAARN Cc1cnc(-c2cccc3cnccc32)nc1N ZINC000020599404 187254377 /nfs/dbraw/zinc/25/43/77/187254377.db2.gz SOCUHEYSFUVRGQ-UHFFFAOYSA-N 0 0 236.278 2.582 50 0 BFAARN O=C(c1ccco1)N1CCC[C@H]1c1ccncc1 ZINC000036397176 343317801 /nfs/dbraw/zinc/31/78/01/343317801.db2.gz SWRXQWQHTZDTQX-LBPRGKRZSA-N 0 0 242.278 2.652 50 0 BFAARN CC(C)CC(=O)N1CCC[C@H]1c1ccncc1 ZINC000036397750 343317836 /nfs/dbraw/zinc/31/78/36/343317836.db2.gz VCYFPBFWKFLFPZ-ZDUSSCGKSA-N 0 0 232.327 2.791 50 0 BFAARN Cc1[nH]c2c(Cl)cccc2c(=O)c1C ZINC000037947591 343362389 /nfs/dbraw/zinc/36/23/89/343362389.db2.gz WTXKTFUXPMJFQQ-UHFFFAOYSA-N 0 0 207.660 2.798 50 0 BFAARN Clc1cc(Cl)nc(-c2ccccn2)n1 ZINC000038844033 343379906 /nfs/dbraw/zinc/37/99/06/343379906.db2.gz NBAPGMJZRHWJAA-UHFFFAOYSA-N 0 0 226.066 2.845 50 0 BFAARN O=[N+]([O-])/C=C/c1ccc(F)cc1Br ZINC000038538061 343376951 /nfs/dbraw/zinc/37/69/51/343376951.db2.gz PWDGGKZXSSMACK-ONEGZZNKSA-N 0 0 246.035 2.836 50 0 BFAARN Cc1ccc(CNC(=O)Nc2nccs2)cc1 ZINC000032907265 187256439 /nfs/dbraw/zinc/25/64/39/187256439.db2.gz FBLGIOGOOAKTBT-UHFFFAOYSA-N 0 0 247.323 2.773 50 0 BFAARN CC(=O)Nc1cccc(NC(=O)CC(C)C)c1C ZINC000032753695 187256523 /nfs/dbraw/zinc/25/65/23/187256523.db2.gz KLBVJPNULGANOO-UHFFFAOYSA-N 0 0 248.326 2.938 50 0 BFAARN Nc1ccc2c(Cl)cc(Cl)nc2n1 ZINC000034431401 187257789 /nfs/dbraw/zinc/25/77/89/187257789.db2.gz NEAYOFOFEATUKC-UHFFFAOYSA-N 0 0 214.055 2.519 50 0 BFAARN CC(C)(C)OC(=O)Nc1cncc(F)c1 ZINC000039093660 343381893 /nfs/dbraw/zinc/38/18/93/343381893.db2.gz BKYBFDYKYQPBIO-UHFFFAOYSA-N 0 0 212.224 2.568 50 0 BFAARN CC(C)(C)OC(=O)n1nc(C=O)c2ccccc21 ZINC000040435260 343403035 /nfs/dbraw/zinc/40/30/35/343403035.db2.gz NURJOQOCJSRMHF-UHFFFAOYSA-N 0 0 246.266 2.632 50 0 BFAARN Cc1ccc(Br)c(C=O)c1F ZINC000075844164 187261267 /nfs/dbraw/zinc/26/12/67/187261267.db2.gz BXZCMNVTXPJOIG-UHFFFAOYSA-N 0 0 217.037 2.709 50 0 BFAARN CC(C)(C)C(=O)NCc1cc(F)cc(F)c1 ZINC000040504514 343405402 /nfs/dbraw/zinc/40/54/02/343405402.db2.gz IERHKMLTHIYAMF-UHFFFAOYSA-N 0 0 227.254 2.627 50 0 BFAARN CC(C)(C)C(=O)NCCSC1CCCC1 ZINC000040511054 343406104 /nfs/dbraw/zinc/40/61/04/343406104.db2.gz KMZWQQSVFUADMR-UHFFFAOYSA-N 0 0 229.389 2.825 50 0 BFAARN Clc1nc(-c2ccncc2)nc2c1CCC2 ZINC000042400209 343436625 /nfs/dbraw/zinc/43/66/25/343436625.db2.gz XIGLFRAOBNYSAT-UHFFFAOYSA-N 0 0 231.686 2.681 50 0 BFAARN Nc1c(Cl)c(Cl)ncc1C(F)(F)F ZINC000043828033 343485444 /nfs/dbraw/zinc/48/54/44/343485444.db2.gz RKSOZYZBQVGYIE-UHFFFAOYSA-N 0 0 231.004 2.989 50 0 BFAARN Fc1ccc(C2OCCO2)cc1Br ZINC000044227997 343495895 /nfs/dbraw/zinc/49/58/95/343495895.db2.gz OATOZCSPTSMOIY-UHFFFAOYSA-N 0 0 247.063 2.634 50 0 BFAARN CCCC(=O)c1ccc(C2OCCO2)s1 ZINC000043210327 343465828 /nfs/dbraw/zinc/46/58/28/343465828.db2.gz RBWKNKSXJTYANB-UHFFFAOYSA-N 0 0 226.297 2.776 50 0 BFAARN CCc1ccc(C(=O)c2ccccn2)cc1 ZINC000043210479 343465967 /nfs/dbraw/zinc/46/59/67/343465967.db2.gz MFTVIHHMLWPCOO-UHFFFAOYSA-N 0 0 211.264 2.875 50 0 BFAARN CC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000044563581 343507495 /nfs/dbraw/zinc/50/74/95/343507495.db2.gz JAWTZBKJCXMTDW-UHFFFAOYSA-N 0 0 218.174 2.673 50 0 BFAARN CN1c2ccccc2-c2ccccc2CC1=O ZINC000045328724 343528607 /nfs/dbraw/zinc/52/86/07/343528607.db2.gz VLYOZVMUFWIJIQ-UHFFFAOYSA-N 0 0 223.275 2.873 50 0 in-vitro BFAARN Clc1cc(-c2nc(C3CC3)no2)ccn1 ZINC000045893957 343535770 /nfs/dbraw/zinc/53/57/70/343535770.db2.gz SEEMEXLUAWPLPF-UHFFFAOYSA-N 0 0 221.647 2.662 50 0 BFAARN Cc1cc(C)c(Br)c(C)n1 ZINC000039351844 187263649 /nfs/dbraw/zinc/26/36/49/187263649.db2.gz HDIJRNSEQXUVPU-UHFFFAOYSA-N 0 0 200.079 2.769 50 0 BFAARN Cc1ccc(CN(C)C(=O)NCC2CC2)c(C)c1 ZINC000032909455 178542327 /nfs/dbraw/zinc/54/23/27/178542327.db2.gz ZQYALPLZBPNYPC-UHFFFAOYSA-N 0 0 246.354 2.855 50 0 BFAARN CC(C)CNC(=O)CCc1ccccc1F ZINC000047220573 343559800 /nfs/dbraw/zinc/55/98/00/343559800.db2.gz PEARLTPWKBPMAW-UHFFFAOYSA-N 0 0 223.291 2.531 50 0 BFAARN O=C1N[C@@H](c2ccsc2)N2CCCC[C@@H]12 ZINC000071967381 343670356 /nfs/dbraw/zinc/67/03/56/343670356.db2.gz WAENQLOOEBXYDO-VHSXEESVSA-N 0 0 222.313 2.571 50 0 BFAARN Cc1ccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)c(C)c1 ZINC000045523785 187269602 /nfs/dbraw/zinc/26/96/02/187269602.db2.gz AZHVGEDVGQOFLE-QWHCGFSZSA-N 0 0 247.338 2.553 50 0 BFAARN CCc1csc(Cc2ncc(Cl)n2C)n1 ZINC000096433557 343738569 /nfs/dbraw/zinc/73/85/69/343738569.db2.gz RHVLBIQPYOWWSS-UHFFFAOYSA-N 0 0 241.747 2.683 50 0 BFAARN CCCN1CCCC[C@H]1c1nncn1CC1CC1 ZINC000097941490 343728308 /nfs/dbraw/zinc/72/83/08/343728308.db2.gz PKNWLYQLVQWAMD-ZDUSSCGKSA-N 0 0 248.374 2.625 50 0 BFAARN CCC/C=C/c1ccc2nc[nH]c(=O)c2c1 ZINC000067935397 187274528 /nfs/dbraw/zinc/27/45/28/187274528.db2.gz BDLCBFGFMXVJBZ-SNAWJCMRSA-N 0 0 214.268 2.736 50 0 BFAARN CC(C)C(=O)C1=C(O)CC[C@H](C(C)C)C1 ZINC000112750751 537821772 /nfs/dbraw/zinc/82/17/72/537821772.db2.gz GFCMCMHCUZLQMA-WDEREUQCSA-N 0 0 210.317 2.853 50 0 BFAARN CC(C)C(=O)NC(C)(C)c1nc2ccccc2[nH]1 ZINC000000544606 346996181 /nfs/dbraw/zinc/99/61/81/346996181.db2.gz WHLGYCRBCVGOGA-UHFFFAOYSA-N 0 0 245.326 2.570 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1cccc(C)c1 ZINC000002764738 349876041 /nfs/dbraw/zinc/87/60/41/349876041.db2.gz CTFKFWPZAPCZSI-SNVBAGLBSA-N 0 0 206.289 2.915 50 0 BFAARN CC(C)C(=O)C1=C(O)CC[C@@H](C(C)C)C1 ZINC000112750752 537822108 /nfs/dbraw/zinc/82/21/08/537822108.db2.gz GFCMCMHCUZLQMA-MNOVXSKESA-N 0 0 210.317 2.853 50 0 BFAARN Cc1ccc(CNC(=O)Cc2cccs2)cc1 ZINC000000030723 178593030 /nfs/dbraw/zinc/59/30/30/178593030.db2.gz CWLVAWNDMFRWPI-UHFFFAOYSA-N 0 0 245.347 2.915 50 0 BFAARN C[C@@]1(NC(=O)C2CC(F)(F)C2)CC=CCC1 ZINC000334520385 343890743 /nfs/dbraw/zinc/89/07/43/343890743.db2.gz WZTYTGXXLLCQDT-LLVKDONJSA-N 0 0 229.270 2.647 50 0 BFAARN CC(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000074983889 187277871 /nfs/dbraw/zinc/27/78/71/187277871.db2.gz WYSVWXFELJQQJD-UHFFFAOYSA-N 0 0 207.273 2.741 50 0 BFAARN CC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000077310018 187279895 /nfs/dbraw/zinc/27/98/95/187279895.db2.gz HHFMDOBWCCQMOI-HUUCEWRRSA-N 0 0 231.339 2.924 50 0 BFAARN CSc1ccc(C(=S)N(C)C)cc1 ZINC000004690346 343963462 /nfs/dbraw/zinc/96/34/62/343963462.db2.gz NEDNIXACQHXORB-UHFFFAOYSA-N 0 0 211.355 2.646 50 0 BFAARN Nc1cccn2cc(-c3cccs3)nc12 ZINC000000054220 344116629 /nfs/dbraw/zinc/11/66/29/344116629.db2.gz DCUDKFXEELFPKO-UHFFFAOYSA-N 0 0 215.281 2.645 50 0 BFAARN C/C=C(\F)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000585141022 344172575 /nfs/dbraw/zinc/17/25/75/344172575.db2.gz NOCJOUWGVCSRJJ-RENATIMJSA-N 0 0 249.285 2.890 50 0 BFAARN Cc1ccc(CNc2cc(Cl)nc(N)n2)cc1 ZINC000012782837 178637479 /nfs/dbraw/zinc/63/74/79/178637479.db2.gz NOJKOTBYOAEOFZ-UHFFFAOYSA-N 0 0 248.717 2.633 50 0 in-vitro BFAARN COC(=O)c1c(C)c(F)ccc1Br ZINC000306991496 344147517 /nfs/dbraw/zinc/14/75/17/344147517.db2.gz VFQWYLDFAIQTRZ-UHFFFAOYSA-N 0 0 247.063 2.683 50 0 BFAARN CC(=O)NCCCOc1c(C)cccc1Cl ZINC000095990736 187289273 /nfs/dbraw/zinc/28/92/73/187289273.db2.gz XSYOZZCHKCQTAO-UHFFFAOYSA-N 0 0 241.718 2.553 50 0 BFAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C=O ZINC000002650195 178665615 /nfs/dbraw/zinc/66/56/15/178665615.db2.gz PTUOOQBSBFPMCT-UHFFFAOYSA-N 0 0 228.295 2.669 50 0 BFAARN CCSc1nnc(Cc2ccccc2)o1 ZINC000003105618 344453408 /nfs/dbraw/zinc/45/34/08/344453408.db2.gz GRRUMMSYXVSRIV-UHFFFAOYSA-N 0 0 220.297 2.772 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)N(CC)CC ZINC000004839679 344500056 /nfs/dbraw/zinc/50/00/56/344500056.db2.gz AVGBDYHPEQCFEI-LLVKDONJSA-N 0 0 212.337 2.713 50 0 BFAARN CC[C@H]1CCCCN1C(=O)N(CC)CC ZINC000004839680 344500125 /nfs/dbraw/zinc/50/01/25/344500125.db2.gz AVGBDYHPEQCFEI-NSHDSACASA-N 0 0 212.337 2.713 50 0 BFAARN Cc1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000013019553 178675223 /nfs/dbraw/zinc/67/52/23/178675223.db2.gz RUOMZFDQAPMCHO-DTWKUNHWSA-N 0 0 207.248 2.729 50 0 BFAARN Cc1ccc(F)c(NC(=O)c2ccccn2)c1 ZINC000008406678 178675291 /nfs/dbraw/zinc/67/52/91/178675291.db2.gz ZLQZGLATWIPCJD-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN COc1cc(Cl)c(C)cc1NC(C)=O ZINC000000145412 344567488 /nfs/dbraw/zinc/56/74/88/344567488.db2.gz FLKGOWKSFPYGAX-UHFFFAOYSA-N 0 0 213.664 2.615 50 0 BFAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCC1 ZINC000000355193 344725092 /nfs/dbraw/zinc/72/50/92/344725092.db2.gz BYTBXSLNEMXMLG-LBPRGKRZSA-N 0 0 231.339 2.924 50 0 BFAARN CCc1nc(NC(=O)c2ccccn2)sc1C ZINC000039073036 344750868 /nfs/dbraw/zinc/75/08/68/344750868.db2.gz QDGBVSNDAXOUSD-UHFFFAOYSA-N 0 0 247.323 2.661 50 0 BFAARN CCC[C@H]1C[C@@H](c2csc(N)n2)CCO1 ZINC000000330299 344702429 /nfs/dbraw/zinc/70/24/29/344702429.db2.gz SIINGJBLYGBGDL-IUCAKERBSA-N 0 0 226.345 2.788 50 0 BFAARN Cc1c(N)cccc1CCC(=O)OC(C)(C)C ZINC000115158198 344704451 /nfs/dbraw/zinc/70/44/51/344704451.db2.gz RUMVTWYVXOGMIP-UHFFFAOYSA-N 0 0 235.327 2.852 50 0 BFAARN Cc1ccc(NC(=O)c2ccccc2F)nc1 ZINC000000347180 178753032 /nfs/dbraw/zinc/75/30/32/178753032.db2.gz AQRPAURBYNAOOI-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN OCC[C@@H]1CCN(c2ccnc3ccsc32)C1 ZINC000078365160 344853530 /nfs/dbraw/zinc/85/35/30/344853530.db2.gz XLEHDLZBFCTHTR-JTQLQIEISA-N 0 0 248.351 2.505 50 0 BFAARN Cc1onc(C(=O)Nc2ccc(C)cc2)c1C ZINC000013641098 178755444 /nfs/dbraw/zinc/75/54/44/178755444.db2.gz PZVRZEOCSYGCNB-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN C[C@@H]1CCCCN1c1cc(=S)[nH]cn1 ZINC000033268134 537867463 /nfs/dbraw/zinc/86/74/63/537867463.db2.gz SAQGGYNKJAPKHR-MRVPVSSYSA-N 0 0 209.318 2.518 50 0 BFAARN Cc1cc(C)nc(NCCc2ccc(F)cc2)n1 ZINC000033612099 344877649 /nfs/dbraw/zinc/87/76/49/344877649.db2.gz SSJNSUFFYKVBJN-UHFFFAOYSA-N 0 0 245.301 2.887 50 0 BFAARN Cc1ccc(N[C@@H](C)C(=O)NCC(C)C)c(C)c1 ZINC000020312771 178769238 /nfs/dbraw/zinc/76/92/38/178769238.db2.gz HVELIKDUIBUCKH-ZDUSSCGKSA-N 0 0 248.370 2.876 50 0 BFAARN Cc1cnc(NC(=O)[C@@H]2CC=CCC2)s1 ZINC000007987018 344972371 /nfs/dbraw/zinc/97/23/71/344972371.db2.gz BKXCVCSQIWRNTJ-SECBINFHSA-N 0 0 222.313 2.746 50 0 BFAARN COc1cc(Cl)cc(C(F)(F)F)n1 ZINC000238417554 345045834 /nfs/dbraw/zinc/04/58/34/345045834.db2.gz BLSVURZNHFVZPN-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1C=CC(=O)O1 ZINC000004027239 187300193 /nfs/dbraw/zinc/30/01/93/187300193.db2.gz URWJVUPZIGIVFZ-CZXHOFHRSA-N 0 0 238.327 2.903 50 0 biogenic BFAARN Cc1ccc(OCc2csc(N)n2)cc1 ZINC000003885560 178816244 /nfs/dbraw/zinc/81/62/44/178816244.db2.gz AOQXGZHMRPHEGS-UHFFFAOYSA-N 0 0 220.297 2.613 50 0 BFAARN C[C@H](Nc1ncccn1)c1ccccc1F ZINC000042200439 537887934 /nfs/dbraw/zinc/88/79/34/537887934.db2.gz ZGWNMSCDGZNKSJ-VIFPVBQESA-N 0 0 217.247 2.789 50 0 BFAARN Cc1ccc(SCc2nnnn2C2CC2)cc1 ZINC000069415013 178828988 /nfs/dbraw/zinc/82/89/88/178828988.db2.gz WGOUAFMVTXQTII-UHFFFAOYSA-N 0 0 246.339 2.609 50 0 BFAARN CCN(CC)C(=O)c1cc(C)sc1C ZINC000032747719 537891831 /nfs/dbraw/zinc/89/18/31/537891831.db2.gz HGCUJIISKRJHBQ-UHFFFAOYSA-N 0 0 211.330 2.847 50 0 BFAARN CC(=O)N1CCc2cc(-c3ccncc3)ccc21 ZINC000166771157 187302942 /nfs/dbraw/zinc/30/29/42/187302942.db2.gz ZBSYUEACFNTYHY-UHFFFAOYSA-N 0 0 238.290 2.658 50 0 BFAARN CC(=O)Nc1ccc(Nc2ccccc2)nc1 ZINC000060332424 192088667 /nfs/dbraw/zinc/08/86/67/192088667.db2.gz WEWQDQRTBJAOED-UHFFFAOYSA-N 0 0 227.267 2.784 50 0 BFAARN Cc1cc(O)ccc1NC(=O)Nc1cccnc1 ZINC000170604035 187304391 /nfs/dbraw/zinc/30/43/91/187304391.db2.gz YRANPQFQKOHFIQ-UHFFFAOYSA-N 0 0 243.266 2.740 50 0 BFAARN CC(=O)OC[C@@]12CC=C(C)[C@@H]([C@H](C)OC1)[C@@H]2C ZINC000013424795 187307702 /nfs/dbraw/zinc/30/77/02/187307702.db2.gz KSCMOJQRHWGLDT-CDGCEXEKSA-N 0 0 238.327 2.557 50 0 BFAARN CN(C)C(=O)c1ccc2sccc2c1 ZINC000114663235 345675453 /nfs/dbraw/zinc/67/54/53/345675453.db2.gz DDHKIJLNQICMTA-UHFFFAOYSA-N 0 0 205.282 2.603 50 0 BFAARN COc1ncccc1NC(=O)C1(C)CCCC1 ZINC000095950648 345686933 /nfs/dbraw/zinc/68/69/33/345686933.db2.gz VXILZIIUGHWJRJ-UHFFFAOYSA-N 0 0 234.299 2.609 50 0 BFAARN CCc1ocnc1C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000095961475 345686942 /nfs/dbraw/zinc/68/69/42/345686942.db2.gz LAQCBEDXJHOIOM-QWRGUYRKSA-N 0 0 248.326 2.642 50 0 BFAARN Cc1nn(C)cc1-c1csc(CC2CC2)n1 ZINC000096009356 345687478 /nfs/dbraw/zinc/68/74/78/345687478.db2.gz JAIGXRHVSLZAEI-UHFFFAOYSA-N 0 0 233.340 2.805 50 0 BFAARN Cc1cc(Cl)cc(N)c1Br ZINC000146260178 345965341 /nfs/dbraw/zinc/96/53/41/345965341.db2.gz JKVBVPILHGUERH-UHFFFAOYSA-N 0 0 220.497 2.993 50 0 BFAARN Cc1ccc([C@H](O)c2ccccc2)c(N)c1 ZINC000075109563 537926127 /nfs/dbraw/zinc/92/61/27/537926127.db2.gz XZEKURUKOJMJLQ-CQSZACIVSA-N 0 0 213.280 2.659 50 0 BFAARN CCc1nc([C@@H]2CCCN2[C@H]2C=CCCC2)no1 ZINC000075607300 537927688 /nfs/dbraw/zinc/92/76/88/537927688.db2.gz OVGWYGKOWXOEJI-RYUDHWBXSA-N 0 0 247.342 2.878 50 0 BFAARN CCOC[C@H](C)OC(=O)c1ccc(F)cc1F ZINC000190794635 345985313 /nfs/dbraw/zinc/98/53/13/345985313.db2.gz CZZITBJLHVYXHK-QMMMGPOBSA-N 0 0 244.237 2.547 50 0 BFAARN CCN1c2cc(F)ccc2C[C@@H]1c1ncc[nH]1 ZINC000685944340 537933592 /nfs/dbraw/zinc/93/35/92/537933592.db2.gz IWLIKZLTJQBGPW-GFCCVEGCSA-N 0 0 231.274 2.673 50 0 BFAARN CC(=O)c1ccc(OCC2CC2)c(F)c1 ZINC000019871607 187314566 /nfs/dbraw/zinc/31/45/66/187314566.db2.gz XVVYLBIDEBMCOF-UHFFFAOYSA-N 0 0 208.232 2.817 50 0 BFAARN Cc1cccc(-n2ccc(-c3cnccn3)n2)c1 ZINC000065397258 179000054 /nfs/dbraw/zinc/00/00/54/179000054.db2.gz WQXMYAPRVMWUSI-UHFFFAOYSA-N 0 0 236.278 2.638 50 0 BFAARN CC(C)c1ccc(C(=O)n2cccn2)cc1 ZINC000005384764 346204439 /nfs/dbraw/zinc/20/44/39/346204439.db2.gz ZTVRPTRAYMYDDM-UHFFFAOYSA-N 0 0 214.268 2.695 50 0 BFAARN Cc1oc2ncnc(NCC(C)C)c2c1C ZINC000005350631 346193163 /nfs/dbraw/zinc/19/31/63/346193163.db2.gz MHTASSNRLXCMPH-UHFFFAOYSA-N 0 0 219.288 2.908 50 0 BFAARN Cc1cc(-c2nc(-c3cccc(C)c3)no2)n[nH]1 ZINC000008793592 178999413 /nfs/dbraw/zinc/99/94/13/178999413.db2.gz RHJUJMPTXGAZPU-UHFFFAOYSA-N 0 0 240.266 2.744 50 0 BFAARN C[C@@H](CCc1ccc(O)cc1)Nc1ccnn1C ZINC000136497355 346234490 /nfs/dbraw/zinc/23/44/90/346234490.db2.gz IBGIZLSIKJAXAD-NSHDSACASA-N 0 0 245.326 2.559 50 0 BFAARN Cc1cccc(C(=O)N2CCC[C@H](C)C2)c1 ZINC000000304771 179008046 /nfs/dbraw/zinc/00/80/46/179008046.db2.gz SRHJVQDFOIXHFI-LBPRGKRZSA-N 0 0 217.312 2.867 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000005442956 346226057 /nfs/dbraw/zinc/22/60/57/346226057.db2.gz QZVGYNJPPGFSHV-DDTOSNHZSA-N 0 0 229.323 2.836 50 0 BFAARN Cc1nc(N)sc1-c1ccnc([C@@H]2C[C@H]2C)n1 ZINC000095629765 346251897 /nfs/dbraw/zinc/25/18/97/346251897.db2.gz ZHTPRFXALUPNCR-HTRCEHHLSA-N 0 0 246.339 2.614 50 0 BFAARN Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2C)n1 ZINC000024449511 179024045 /nfs/dbraw/zinc/02/40/45/179024045.db2.gz TXRSGYURZUTBES-PWSUYJOCSA-N 0 0 232.327 2.699 50 0 BFAARN Cc1cccc(C(=O)Nc2cc(C)ccn2)c1 ZINC000000361815 179025341 /nfs/dbraw/zinc/02/53/41/179025341.db2.gz PJRQZDNIBLMQFQ-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1cccc(C(=O)NCc2cccs2)c1 ZINC000000484429 179019904 /nfs/dbraw/zinc/01/99/04/179019904.db2.gz ISNXDXROJSHETJ-UHFFFAOYSA-N 0 0 231.320 2.987 50 0 BFAARN Cc1cccc(C(=O)N[C@@H](C)c2cccnc2)c1 ZINC000012546074 179021012 /nfs/dbraw/zinc/02/10/12/179021012.db2.gz FVXLSWCXTDUJFQ-LBPRGKRZSA-N 0 0 240.306 2.881 50 0 BFAARN CS[C@H]1CCC[C@@H]1Nc1nc(C)ns1 ZINC000078447906 537965162 /nfs/dbraw/zinc/96/51/62/537965162.db2.gz GCYBXOKIKZGWIF-YUMQZZPRSA-N 0 0 229.374 2.543 50 0 BFAARN Cc1ccc(N[C@H]2CCCC[C@@H]2O)cc1 ZINC000034451479 346288716 /nfs/dbraw/zinc/28/87/16/346288716.db2.gz JTCBCGKEWZZVIP-STQMWFEESA-N 0 0 205.301 2.710 50 0 BFAARN Cc1cccc(C)c1NC(=O)CN1CCCCC1 ZINC000000284981 179040457 /nfs/dbraw/zinc/04/04/57/179040457.db2.gz OVECJQXXUIVZBI-UHFFFAOYSA-N 0 0 246.354 2.728 50 0 BFAARN Cc1cccc(C)c1OC[C@H](C)n1cnnc1 ZINC000065470560 179047301 /nfs/dbraw/zinc/04/73/01/179047301.db2.gz RPEDRYKBQVEFTQ-LBPRGKRZSA-N 0 0 231.299 2.535 50 0 BFAARN Cc1cccc(CC(=O)Nc2cc(C)ccn2)c1 ZINC000006715758 179052106 /nfs/dbraw/zinc/05/21/06/179052106.db2.gz ZELAELYSNLYMRX-UHFFFAOYSA-N 0 0 240.306 2.880 50 0 BFAARN CC[C@@H]1CCCCCN1C(=O)c1cc(C)on1 ZINC000155609916 346350644 /nfs/dbraw/zinc/35/06/44/346350644.db2.gz MLOFZGFFLCHQAQ-LLVKDONJSA-N 0 0 236.315 2.778 50 0 BFAARN CC(=O)NC(C)(C)COc1ccc(Cl)cc1 ZINC000000053667 346402598 /nfs/dbraw/zinc/40/25/98/346402598.db2.gz FJKJPVFUGBBDAG-UHFFFAOYSA-N 0 0 241.718 2.634 50 0 BFAARN Cc1cccc(NC(=O)c2cccnc2)c1 ZINC000000029538 346402612 /nfs/dbraw/zinc/40/26/12/346402612.db2.gz XZDOYZLZHKFSOX-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN Cc1cc(CN(C)Cc2cccc(C)c2)no1 ZINC000042132098 179065054 /nfs/dbraw/zinc/06/50/54/179065054.db2.gz KIYUCBWBGWGDPZ-UHFFFAOYSA-N 0 0 230.311 2.923 50 0 BFAARN C[C@@]1(O)CCc2c(ccc3ccccc32)O1 ZINC000000401265 346418634 /nfs/dbraw/zinc/41/86/34/346418634.db2.gz KKLSFNQVBXLPJO-AWEZNQCLSA-N 0 0 214.264 2.873 50 0 BFAARN CCCCOCCOC(=O)c1ccccc1 ZINC000001583997 346450559 /nfs/dbraw/zinc/45/05/59/346450559.db2.gz NMBQBIACXMPEQB-UHFFFAOYSA-N 0 0 222.284 2.660 50 0 BFAARN Cc1cccc(F)c1I ZINC000049588112 179109751 /nfs/dbraw/zinc/10/97/51/179109751.db2.gz WXHRYDHCFKJKKO-UHFFFAOYSA-N 0 0 236.027 2.739 50 0 BFAARN Cc1cccc(NC(=O)CCc2ccccc2)n1 ZINC000009905983 179127645 /nfs/dbraw/zinc/12/76/45/179127645.db2.gz GTPWYDBIOGIQFB-UHFFFAOYSA-N 0 0 240.306 2.961 50 0 BFAARN Cc1cccc(NC(=O)C2CCCC2)n1 ZINC000006846761 179126773 /nfs/dbraw/zinc/12/67/73/179126773.db2.gz YZFYCXNYZBXPQC-UHFFFAOYSA-N 0 0 204.273 2.519 50 0 BFAARN Cc1cccc(N)c1NC(=O)C(C)(C)C ZINC000006715871 179119682 /nfs/dbraw/zinc/11/96/82/179119682.db2.gz HHYBMBHNSZTCDP-UHFFFAOYSA-N 0 0 206.289 2.562 50 0 BFAARN Cc1cccc(NC(=O)Nc2cccc(C)n2)n1 ZINC000000054166 179136993 /nfs/dbraw/zinc/13/69/93/179136993.db2.gz YVORCDPOPJSRJC-UHFFFAOYSA-N 0 0 242.282 2.737 50 0 BFAARN Cc1nc(CC(=O)Nc2cccc(C)c2)cs1 ZINC000007995483 179131026 /nfs/dbraw/zinc/13/10/26/179131026.db2.gz PITIIEDNPSEYJZ-UHFFFAOYSA-N 0 0 246.335 2.941 50 0 BFAARN Cc1cccc(NC(=O)NC(C)C)c1C ZINC000000396628 179133784 /nfs/dbraw/zinc/13/37/84/179133784.db2.gz DXFNVIVIEHJYQT-UHFFFAOYSA-N 0 0 206.289 2.833 50 0 BFAARN Cc1cccc(NC(=O)NC2CCCCC2)n1 ZINC000000395843 179133813 /nfs/dbraw/zinc/13/38/13/179133813.db2.gz WHSBPIVGRFZYDM-UHFFFAOYSA-N 0 0 233.315 2.844 50 0 BFAARN COc1ccc(-c2cccc(C=O)c2)cc1C=O ZINC000725242648 537985139 /nfs/dbraw/zinc/98/51/39/537985139.db2.gz QCINKOWCXLAOKD-UHFFFAOYSA-N 0 0 240.258 2.987 50 0 BFAARN O=C(c1ccc(F)cc1)[C@H](O)c1ccc(F)cc1 ZINC000006093244 346775804 /nfs/dbraw/zinc/77/58/04/346775804.db2.gz VGZHWXAFILGMSR-CYBMUJFWSA-N 0 0 248.228 2.881 50 0 BFAARN Cc1cccc(OC[C@H]2CCOC2)c1F ZINC000096500052 179172464 /nfs/dbraw/zinc/17/24/64/179172464.db2.gz CTGGGLWVLQWMFY-JTQLQIEISA-N 0 0 210.248 2.549 50 0 BFAARN Cc1cccc(O[C@@H](C)c2nnc(N)s2)c1C ZINC000000808218 179175227 /nfs/dbraw/zinc/17/52/27/179175227.db2.gz NPAGTEVEAGUCNO-VIFPVBQESA-N 0 0 249.339 2.877 50 0 BFAARN Cc1ccc(F)c(NC(=O)c2ccoc2)c1 ZINC000016261124 347167004 /nfs/dbraw/zinc/16/70/04/347167004.db2.gz KTEJTUCMVPYEGQ-UHFFFAOYSA-N 0 0 219.215 2.979 50 0 BFAARN Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)[O-])c1 ZINC000012398731 179190116 /nfs/dbraw/zinc/19/01/16/179190116.db2.gz LNEHZQOPLIYHFP-ZDUSSCGKSA-N 0 0 233.311 2.607 50 0 BFAARN CCCC(=O)Oc1c[nH]c2ccccc12 ZINC000000135211 168569690 /nfs/dbraw/zinc/56/96/90/168569690.db2.gz DPUSLOQBAPOARC-UHFFFAOYSA-N 0 0 203.241 2.873 50 0 BFAARN Cc1cccc2cc(CO)c(Cl)nc12 ZINC000000421634 179227202 /nfs/dbraw/zinc/22/72/02/179227202.db2.gz GQLHTRIZUUCKGQ-UHFFFAOYSA-N 0 0 207.660 2.689 50 0 BFAARN Cc1ccccc1-c1cc(C(=O)NC(C)C)[nH]n1 ZINC000065447557 179235631 /nfs/dbraw/zinc/23/56/31/179235631.db2.gz QSWXFYRNEQRVEM-UHFFFAOYSA-N 0 0 243.310 2.523 50 0 BFAARN Cc1ccccc1C(=O)NC1CCCC1 ZINC000000271905 179249845 /nfs/dbraw/zinc/24/98/45/179249845.db2.gz HSOKKFSLZAFAMX-UHFFFAOYSA-N 0 0 203.285 2.667 50 0 BFAARN CCCCCn1c(=O)c2ccc[nH]c-2nc1=S ZINC000002959782 347524127 /nfs/dbraw/zinc/52/41/27/347524127.db2.gz VHEUCKHHJUKLKQ-UHFFFAOYSA-N 0 0 249.339 2.644 50 0 BFAARN Cc1c(N[C@H](C)c2cccc(O)c2)cnn1C ZINC000194950313 347594836 /nfs/dbraw/zinc/59/48/36/347594836.db2.gz RYVBSHSNRJPBRV-SECBINFHSA-N 0 0 231.299 2.607 50 0 BFAARN CCCC(CCC)[S@@](=O)C[C@H]1CCCO1 ZINC000194541266 347549180 /nfs/dbraw/zinc/54/91/80/347549180.db2.gz PQAMABRRCXTOEJ-ABAIWWIYSA-N 0 0 232.389 2.883 50 0 BFAARN Cc1cncc(/C=C/c2cc(O)cc(F)c2)n1 ZINC000195314249 347624971 /nfs/dbraw/zinc/62/49/71/347624971.db2.gz GHZLSSOLUWIZQO-NSCUHMNNSA-N 0 0 230.242 2.800 50 0 BFAARN Cc1occc1C(=O)NCCc1ccccc1C ZINC000021556883 179265835 /nfs/dbraw/zinc/26/58/35/179265835.db2.gz ZPKLSZMSXGMTQG-UHFFFAOYSA-N 0 0 243.306 2.869 50 0 BFAARN Cc1ccc2c(c1)CCN(C(=O)[C@@H]1C[C@H]1C)C2 ZINC000195579994 347641850 /nfs/dbraw/zinc/64/18/50/347641850.db2.gz ORPIDZYVJJRZGX-BXUZGUMPSA-N 0 0 229.323 2.536 50 0 BFAARN CCc1noc([C@H](C)Nc2cnn(C(C)C)c2)n1 ZINC000195563519 347646736 /nfs/dbraw/zinc/64/67/36/347646736.db2.gz YPWVYRHRWAXYRR-VIFPVBQESA-N 0 0 249.318 2.583 50 0 BFAARN CCn1nc(C)c(CNc2cccc(O)c2)c1C ZINC000195576018 347648382 /nfs/dbraw/zinc/64/83/82/347648382.db2.gz PILRJGDSKNIOBD-UHFFFAOYSA-N 0 0 245.326 2.838 50 0 BFAARN Cc1noc([C@@H](C)SCC[C@@H]2CCCO2)n1 ZINC000195576799 347648555 /nfs/dbraw/zinc/64/85/55/347648555.db2.gz BXORNHOOZUNCTR-SCZZXKLOSA-N 0 0 242.344 2.741 50 0 BFAARN Cc1ccccc1CN(C)C(=O)C1CCC1 ZINC000033000260 179268380 /nfs/dbraw/zinc/26/83/80/179268380.db2.gz ROULEDOAXPLVQK-UHFFFAOYSA-N 0 0 217.312 2.754 50 0 BFAARN Cc1ccccc1CNC(=O)[C@H]1CC=CCC1 ZINC000032678652 179280258 /nfs/dbraw/zinc/28/02/58/179280258.db2.gz KCMVJPQXWTWPGW-ZDUSSCGKSA-N 0 0 229.323 2.968 50 0 BFAARN Cc1ccccc1CNc1ccccc1C(N)=O ZINC000012537202 179285479 /nfs/dbraw/zinc/28/54/79/179285479.db2.gz SHRQSROJABKEIQ-UHFFFAOYSA-N 0 0 240.306 2.706 50 0 BFAARN CCCC(C)(C)NC(=O)c1cnc(C)s1 ZINC000065403745 168579207 /nfs/dbraw/zinc/57/92/07/168579207.db2.gz DFZFJULNZIFYFR-UHFFFAOYSA-N 0 0 226.345 2.760 50 0 BFAARN Cc1ccccc1NC(=O)Nc1ccon1 ZINC000006725920 179300984 /nfs/dbraw/zinc/30/09/84/179300984.db2.gz QTUXNMVIGDHTDP-UHFFFAOYSA-N 0 0 217.228 2.627 50 0 BFAARN Cc1ccccc1NC(=O)CC[C@@H]1CCCO1 ZINC000040505832 179297402 /nfs/dbraw/zinc/29/74/02/179297402.db2.gz RKDFEQOROIDRAW-LBPRGKRZSA-N 0 0 233.311 2.893 50 0 BFAARN Cc1ccccc1NC(=O)COCC(F)(F)F ZINC000036391480 179299298 /nfs/dbraw/zinc/29/92/98/179299298.db2.gz KKDHTDYHXKCSBZ-UHFFFAOYSA-N 0 0 247.216 2.512 50 0 BFAARN Cc1ccccc1NC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000006726192 179300177 /nfs/dbraw/zinc/30/01/77/179300177.db2.gz DHHJFEJPNKVFIM-YPMHNXCESA-N 0 0 248.326 2.684 50 0 BFAARN Cc1ccccc1[C@H](C)NC(=O)c1cccnc1 ZINC000023525044 179337353 /nfs/dbraw/zinc/33/73/53/179337353.db2.gz VCYHUGDKTSFVNO-LBPRGKRZSA-N 0 0 240.306 2.881 50 0 BFAARN Cc1ccccc1[C@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC000032978731 179337558 /nfs/dbraw/zinc/33/75/58/179337558.db2.gz ZVUZXWSXXTVAGZ-GVXVVHGQSA-N 0 0 217.312 2.828 50 0 BFAARN CC(C)Cc1c(Cl)nc2ccccn2c1=O ZINC000725244170 537996254 /nfs/dbraw/zinc/99/62/54/537996254.db2.gz FBUXNMYCWTUVOK-UHFFFAOYSA-N 0 0 236.702 2.546 50 0 BFAARN Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCC(=O)[O-])C1 ZINC000237359848 179349073 /nfs/dbraw/zinc/34/90/73/179349073.db2.gz PPCNVSVVZCRYBX-OLZOCXBDSA-N 0 0 247.338 2.648 50 0 BFAARN Cc1ccccc1[C@H]1CN(C(=O)C(C)C)CCO1 ZINC000041395312 179349814 /nfs/dbraw/zinc/34/98/14/179349814.db2.gz HZXKSVHWNHYORE-CQSZACIVSA-N 0 0 247.338 2.551 50 0 BFAARN Cc1cccn(C[C@H]2CCCC2(F)F)c1=O ZINC000334570412 179352431 /nfs/dbraw/zinc/35/24/31/179352431.db2.gz VUOPQPFWXYZONX-SNVBAGLBSA-N 0 0 227.254 2.592 50 0 BFAARN CCc1c(Cl)nc2cc(C)cc(C)n2c1=O ZINC000725245660 538001896 /nfs/dbraw/zinc/00/18/96/538001896.db2.gz XBUQQBRPQCGOFD-UHFFFAOYSA-N 0 0 236.702 2.527 50 0 BFAARN Cc1cnc(NC(=O)/C=C/c2ccco2)s1 ZINC000003162457 179622905 /nfs/dbraw/zinc/62/29/05/179622905.db2.gz WXHNWRSVJRWAET-SNAWJCMRSA-N 0 0 234.280 2.696 50 0 BFAARN Cc1cnc(NC(=O)Cc2cccs2)s1 ZINC000002653073 179625781 /nfs/dbraw/zinc/62/57/81/179625781.db2.gz JGILGJKPTHWVNO-UHFFFAOYSA-N 0 0 238.337 2.694 50 0 BFAARN CC(C)(C)OC(=O)N1CCC(=O)C12CCCC2 ZINC000084326983 348807242 /nfs/dbraw/zinc/80/72/42/348807242.db2.gz HHRNOJABFMZQFA-UHFFFAOYSA-N 0 0 239.315 2.509 50 0 BFAARN Cc1coc2cc3oc(=O)ccc3cc12 ZINC000000407882 179759416 /nfs/dbraw/zinc/75/94/16/179759416.db2.gz NHIJIVPEMQAWBA-UHFFFAOYSA-N 0 0 200.193 2.848 50 0 biogenic BFAARN Cc1csc(NC(=O)Cc2ccsc2)n1 ZINC000005678617 349065126 /nfs/dbraw/zinc/06/51/26/349065126.db2.gz IYVLBRDAYLMZMO-UHFFFAOYSA-N 0 0 238.337 2.694 50 0 BFAARN CC(=O)N1N=C(Nc2ccccc2)SC1(C)C ZINC000000040743 190968917 /nfs/dbraw/zinc/96/89/17/190968917.db2.gz CVSMELMRDXKULK-UHFFFAOYSA-N 0 0 249.339 2.701 50 0 BFAARN Cc1csc(NC(=O)c2ccc(Cl)o2)n1 ZINC000012690336 179787414 /nfs/dbraw/zinc/78/74/14/179787414.db2.gz QXXSYDUKHXAQLC-UHFFFAOYSA-N 0 0 242.687 2.950 50 0 BFAARN Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1 ZINC000299805629 538030582 /nfs/dbraw/zinc/03/05/82/538030582.db2.gz YJVQVQYMBOEUMI-UHFFFAOYSA-N 0 0 217.247 2.675 50 0 BFAARN COc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 ZINC000008888253 190977971 /nfs/dbraw/zinc/97/79/71/190977971.db2.gz PONNDNMHYHDVIU-UHFFFAOYSA-N 0 0 243.184 2.556 50 0 BFAARN CC(C)COC(=O)c1cc(=O)c2ccccc2o1 ZINC000008716970 190978183 /nfs/dbraw/zinc/97/81/83/190978183.db2.gz KYZHURLEMJKRAV-UHFFFAOYSA-N 0 0 246.262 2.606 50 0 BFAARN Cc1cc(-c2cccc3ncccc32)nc(N)n1 ZINC000020294076 349291821 /nfs/dbraw/zinc/29/18/21/349291821.db2.gz KTWVKMKFUBLZSP-UHFFFAOYSA-N 0 0 236.278 2.582 50 0 BFAARN Cc1nc(-c2ccc(F)cc2)sc1CCO ZINC000041278333 179863395 /nfs/dbraw/zinc/86/33/95/179863395.db2.gz CCCDFZMZBCVFQZ-UHFFFAOYSA-N 0 0 237.299 2.792 50 0 BFAARN c1cncc(Cc2noc([C@@H]3CC=CCC3)n2)c1 ZINC000020119766 190981465 /nfs/dbraw/zinc/98/14/65/190981465.db2.gz MHVLHUMWYUTSJZ-GFCCVEGCSA-N 0 0 241.294 2.879 50 0 BFAARN Cc1nc(C(=O)NCCC2=CCCCC2)co1 ZINC000022606277 179883441 /nfs/dbraw/zinc/88/34/41/179883441.db2.gz CYRVWHVRFQOSSK-UHFFFAOYSA-N 0 0 234.299 2.603 50 0 BFAARN CC(C)(C)OC(=O)/C=C/c1ccc(C=O)cc1 ZINC000038436143 190993452 /nfs/dbraw/zinc/99/34/52/190993452.db2.gz OFMQCKGSKVARCL-CMDGGOBGSA-N 0 0 232.279 2.854 50 0 BFAARN CC(C)CN(CC(C)(C)C)C(=O)c1cc[nH]n1 ZINC000089840122 362948428 /nfs/dbraw/zinc/94/84/28/362948428.db2.gz FSQBIJACRQOKBX-UHFFFAOYSA-N 0 0 237.347 2.554 50 0 BFAARN Nc1cnc2cccc(Br)c2c1 ZINC000072207309 191004624 /nfs/dbraw/zinc/00/46/24/191004624.db2.gz OVPSXXBKGUKLER-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN CC(C)Cc1csc2[nH]c(=S)nc(N)c12 ZINC000012324347 350049774 /nfs/dbraw/zinc/04/97/74/350049774.db2.gz CZFKDYRURWHJLD-UHFFFAOYSA-N 0 0 239.369 2.761 50 0 BFAARN Cc1nc(N2CCCC2)ccc1Br ZINC000040456699 180000735 /nfs/dbraw/zinc/00/07/35/180000735.db2.gz NLMNOSSSZUXGGZ-UHFFFAOYSA-N 0 0 241.132 2.753 50 0 BFAARN Cc1nc(NC(=O)C(C)(C)C)nc2c1CCCC2 ZINC000032765261 180004781 /nfs/dbraw/zinc/00/47/81/180004781.db2.gz XXWLZKUNDASHHS-UHFFFAOYSA-N 0 0 247.342 2.648 50 0 BFAARN Cc1nc2[nH]ccc2c(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000095410679 180005095 /nfs/dbraw/zinc/00/50/95/180005095.db2.gz PBKBQCDTJLFGIC-PHIMTYICSA-N 0 0 242.326 2.503 50 0 BFAARN Cc1nc(NC(=O)Cc2ccccc2)sc1C ZINC000000563267 180008681 /nfs/dbraw/zinc/00/86/81/180008681.db2.gz QNZAZOCLSQHAND-UHFFFAOYSA-N 0 0 246.335 2.941 50 0 BFAARN Cc1nc(NCc2ccc(CC(C)C)cc2)n[nH]1 ZINC000170607142 180021069 /nfs/dbraw/zinc/02/10/69/180021069.db2.gz VXNHCUVZILIZFV-UHFFFAOYSA-N 0 0 244.342 2.924 50 0 BFAARN Cc1nc(Cl)cc(C(=O)Nc2ccccc2)n1 ZINC000096182624 179986902 /nfs/dbraw/zinc/98/69/02/179986902.db2.gz RACFPYLUYZYPJX-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN C/C=C(\C)C(=O)Nc1ccc2c(c1)NCCC2 ZINC000222123690 350099161 /nfs/dbraw/zinc/09/91/61/350099161.db2.gz NKDHWUVYCBFYQA-XCVCLJGOSA-N 0 0 230.311 2.949 50 0 BFAARN Cc1nc2ncnc(Nc3cccc(F)c3)c2[nH]1 ZINC000041121329 180066584 /nfs/dbraw/zinc/06/65/84/180066584.db2.gz DIYIFMLQUVCWFU-UHFFFAOYSA-N 0 0 243.245 2.544 50 0 BFAARN Cc1nc(S[C@@H]2CCCCC2=O)oc1C ZINC000073788424 180032755 /nfs/dbraw/zinc/03/27/55/180032755.db2.gz WOZXYUSUFSCWAT-SNVBAGLBSA-N 0 0 225.313 2.895 50 0 BFAARN CCOc1cc(Br)cc(C=O)c1 ZINC000090413718 191022880 /nfs/dbraw/zinc/02/28/80/191022880.db2.gz NBXZKUIPSKDAEV-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN c1ccc(Oc2ccccc2-c2nn[nH]n2)cc1 ZINC000090751791 191023685 /nfs/dbraw/zinc/02/36/85/191023685.db2.gz GHCLLWCBVCNWTJ-UHFFFAOYSA-N 0 0 238.250 2.659 50 0 BFAARN Cc1nc2ccc(NC(=O)C3CC3)cc2s1 ZINC000006216185 180094724 /nfs/dbraw/zinc/09/47/24/180094724.db2.gz UERJSMNGBYXZQB-UHFFFAOYSA-N 0 0 232.308 2.953 50 0 BFAARN Cc1nc2ccccn2c1C(=O)c1ccccc1 ZINC000003246115 180106116 /nfs/dbraw/zinc/10/61/16/180106116.db2.gz PQMFENWLZFUNGX-UHFFFAOYSA-N 0 0 236.274 2.874 50 0 BFAARN CC(C)c1n[nH]cc1-c1ccc2c(c1)OCCO2 ZINC000426411299 191042475 /nfs/dbraw/zinc/04/24/75/191042475.db2.gz NCBZWBMOYIQELB-UHFFFAOYSA-N 0 0 244.294 2.971 50 0 BFAARN Cc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000000133614 180101621 /nfs/dbraw/zinc/10/16/21/180101621.db2.gz LGNHCOKGKIUFDW-UHFFFAOYSA-N 0 0 236.274 2.694 50 0 BFAARN Nc1c(N)c(C(F)(F)F)ccc1C(F)(F)F ZINC000034142289 350171519 /nfs/dbraw/zinc/17/15/19/350171519.db2.gz YCMVMJWWGVVLDD-UHFFFAOYSA-N 0 0 244.138 2.889 50 0 BFAARN CC(=O)NCCOc1c(Cl)cccc1Cl ZINC000096191859 191056027 /nfs/dbraw/zinc/05/60/27/191056027.db2.gz REWHAICTTQQHCL-UHFFFAOYSA-N 0 0 248.109 2.508 50 0 BFAARN Cc1ncc(C[S@](=O)CC2CCCC2)s1 ZINC000097033789 180161506 /nfs/dbraw/zinc/16/15/06/180161506.db2.gz SREDDYJEZIFFBQ-HNNXBMFYSA-N 0 0 243.397 2.890 50 0 BFAARN Cc1nccc(-c2ccccc2)c1C(N)=S ZINC000072447009 180179248 /nfs/dbraw/zinc/17/92/48/180179248.db2.gz WOJKXRDSCCIKLV-UHFFFAOYSA-N 0 0 228.320 2.691 50 0 BFAARN Cc1ncccc1C(=O)N1CC[C@H](CC(C)C)C1 ZINC000073188845 180210616 /nfs/dbraw/zinc/21/06/16/180210616.db2.gz JGNMFTJGKFFOIS-CYBMUJFWSA-N 0 0 246.354 2.898 50 0 BFAARN Cc1ncccc1OCCOC(C)(C)C ZINC000096501111 180228311 /nfs/dbraw/zinc/22/83/11/180228311.db2.gz ZMTQTOHKKRJKLJ-UHFFFAOYSA-N 0 0 209.289 2.584 50 0 BFAARN Cc1ncccc1OCc1nccn1C(F)F ZINC000096007475 180228486 /nfs/dbraw/zinc/22/84/86/180228486.db2.gz OQKVLKVEWUKINU-UHFFFAOYSA-N 0 0 239.225 2.561 50 0 BFAARN Cc1nccnc1-c1cccc(-c2cc[nH]n2)c1 ZINC000020453796 180270964 /nfs/dbraw/zinc/27/09/64/180270964.db2.gz VFFRDCGSBALFLY-UHFFFAOYSA-N 0 0 236.278 2.842 50 0 BFAARN O=C1CCCc2nc(-c3ccccc3)ncc21 ZINC000039408230 350338127 /nfs/dbraw/zinc/33/81/27/350338127.db2.gz ICMXAAQFHQMZTO-UHFFFAOYSA-N 0 0 224.263 2.663 50 0 BFAARN Cc1[nH]nc(C2CC2)c1-c1ccc(N(C)C)nc1 ZINC000426555647 191096719 /nfs/dbraw/zinc/09/67/19/191096719.db2.gz PFVBFHPQSCIZOC-UHFFFAOYSA-N 0 0 242.326 2.724 50 0 BFAARN Cc1ncoc1-c1nc(Cc2ccsc2)no1 ZINC000020256343 180296333 /nfs/dbraw/zinc/29/63/33/180296333.db2.gz ICTZUFPOMQBTBZ-UHFFFAOYSA-N 0 0 247.279 2.685 50 0 BFAARN CSc1nncn1-c1cccc(Cl)c1 ZINC000040159031 350356739 /nfs/dbraw/zinc/35/67/39/350356739.db2.gz LDNCZWRHHHYPCR-UHFFFAOYSA-N 0 0 225.704 2.643 50 0 BFAARN Cc1ccc(CNC(=O)OC(C)C)c(C)c1 ZINC000000406306 350330333 /nfs/dbraw/zinc/33/03/33/350330333.db2.gz IITIYBMQFKXUPO-UHFFFAOYSA-N 0 0 221.300 2.938 50 0 BFAARN CCCCC(=O)Nc1ccccc1C(=O)OC ZINC000002073351 168627749 /nfs/dbraw/zinc/62/77/49/168627749.db2.gz OJQBRWWDOVNDPP-UHFFFAOYSA-N 0 0 235.283 2.602 50 0 BFAARN CC(C)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000032841960 350433097 /nfs/dbraw/zinc/43/30/97/350433097.db2.gz SQRWCPRNJRZYQC-VIFPVBQESA-N 0 0 211.330 2.924 50 0 BFAARN Cc1nn(C)c2c1[C@@H](C1CCCCC1)CC(=O)N2 ZINC000072117618 180361587 /nfs/dbraw/zinc/36/15/87/180361587.db2.gz XQOQFVXBLFNZOW-LLVKDONJSA-N 0 0 247.342 2.735 50 0 BFAARN CC[C@@H](C)NC(=O)/C=C\c1cccs1 ZINC000033744184 350457096 /nfs/dbraw/zinc/45/70/96/350457096.db2.gz QGOXWQRHIFKHEA-ATJFRQLMSA-N 0 0 209.314 2.676 50 0 BFAARN CC(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000034617258 350471837 /nfs/dbraw/zinc/47/18/37/350471837.db2.gz DFENQURRLUFKQL-UHFFFAOYSA-N 0 0 205.301 2.620 50 0 BFAARN Cc1nnc(-c2ccccc2OC(F)(F)F)o1 ZINC000095215923 180396128 /nfs/dbraw/zinc/39/61/28/180396128.db2.gz UQISOAJJNGSWHT-UHFFFAOYSA-N 0 0 244.172 2.944 50 0 BFAARN Cc1nn2cc(-c3ccccc3)nc2s1 ZINC000003901331 180393932 /nfs/dbraw/zinc/39/39/32/180393932.db2.gz NUMSBSZXHFWUTI-UHFFFAOYSA-N 0 0 215.281 2.766 50 0 BFAARN CCCCC(=O)Oc1ccc(OC)cc1 ZINC000002057634 168630601 /nfs/dbraw/zinc/63/06/01/168630601.db2.gz ZPDRGYSTSKWYID-UHFFFAOYSA-N 0 0 208.257 2.791 50 0 BFAARN Cc1nnc(-c2ccccc2)nc1Cl ZINC000001397784 180395942 /nfs/dbraw/zinc/39/59/42/180395942.db2.gz NRKLLOFQIYLIFB-UHFFFAOYSA-N 0 0 205.648 2.500 50 0 BFAARN COc1cc(C=O)c(OC)c2ccccc12 ZINC000037627819 350588259 /nfs/dbraw/zinc/58/82/59/350588259.db2.gz VPGWYDUJJIGJSM-UHFFFAOYSA-N 0 0 216.236 2.670 50 0 BFAARN Cc1ccc(CNC(=O)c2ccco2)cc1F ZINC000021865745 350610870 /nfs/dbraw/zinc/61/08/70/350610870.db2.gz WBHZFUQNSLWTBD-UHFFFAOYSA-N 0 0 233.242 2.657 50 0 BFAARN Cc1noc(C(C)C)c1C(=O)Nc1ccccn1 ZINC000022691199 180461998 /nfs/dbraw/zinc/46/19/98/180461998.db2.gz BLPIKOIUNVGJNE-UHFFFAOYSA-N 0 0 245.282 2.754 50 0 BFAARN Cc1noc(C)c1NC(=O)NCc1ccccc1 ZINC000060208356 180477414 /nfs/dbraw/zinc/47/74/14/180477414.db2.gz MTBKRPZDNCJQLC-UHFFFAOYSA-N 0 0 245.282 2.613 50 0 BFAARN Cc1occc1C(=O)N1CCc2ccccc21 ZINC000000090853 180536690 /nfs/dbraw/zinc/53/66/90/180536690.db2.gz PKPFQDAFJVTRES-UHFFFAOYSA-N 0 0 227.263 2.791 50 0 BFAARN Cc1occc1C(=O)Nc1ccc(F)cc1 ZINC000000173450 180539037 /nfs/dbraw/zinc/53/90/37/180539037.db2.gz WRVLNAUDMQUHKA-UHFFFAOYSA-N 0 0 219.215 2.979 50 0 BFAARN Cc1occc1C(=O)OCCC[C@@H]1CCCO1 ZINC000097113171 180539196 /nfs/dbraw/zinc/53/91/96/180539196.db2.gz YMDAVHRGDVDCPA-NSHDSACASA-N 0 0 238.283 2.704 50 0 BFAARN CCc1ccc(C(=O)N2CCCC2)s1 ZINC000001054602 350990901 /nfs/dbraw/zinc/99/09/01/350990901.db2.gz BGYYXICJUQQPRA-UHFFFAOYSA-N 0 0 209.314 2.547 50 0 BFAARN Cc1scc(C(=O)N2CCCC2)c1C ZINC000001052274 350996312 /nfs/dbraw/zinc/99/63/12/350996312.db2.gz PTDONYZPWCOSKX-UHFFFAOYSA-N 0 0 209.314 2.601 50 0 BFAARN Clc1cc(Cl)cc(CC2OCCO2)c1 ZINC000002529058 180575408 /nfs/dbraw/zinc/57/54/08/180575408.db2.gz XFEXAYIHSIXNGT-UHFFFAOYSA-N 0 0 233.094 2.909 50 0 BFAARN Cc1ccc(NC(=O)[C@H]2CCCO2)c(Cl)c1 ZINC000005937630 351332065 /nfs/dbraw/zinc/33/20/65/351332065.db2.gz UUOQHUPITZBUOD-LLVKDONJSA-N 0 0 239.702 2.766 50 0 BFAARN O=C1CCOc2c(Br)cc(F)cc21 ZINC000034974997 351369636 /nfs/dbraw/zinc/36/96/36/351369636.db2.gz KBLVYCPSTDBXCB-UHFFFAOYSA-N 0 0 245.047 2.553 50 0 BFAARN CCOc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000001801078 351397376 /nfs/dbraw/zinc/39/73/76/351397376.db2.gz APEGUETWMHRADV-UHFFFAOYSA-N 0 0 230.263 2.680 50 0 biogenic BFAARN CCSc1n[nH]c(-c2ccccc2)n1 ZINC000005960451 351342493 /nfs/dbraw/zinc/34/24/93/351342493.db2.gz NIOYKGLMDHIKFY-UHFFFAOYSA-N 0 0 205.286 2.584 50 0 BFAARN Clc1cccc(I)c1 ZINC000000167207 180590981 /nfs/dbraw/zinc/59/09/81/180590981.db2.gz JMLWXCJXOYDXRN-UHFFFAOYSA-N 0 0 238.455 2.945 50 0 BFAARN Clc1cncc(NC2CCCCC2)n1 ZINC000015021351 180598877 /nfs/dbraw/zinc/59/88/77/180598877.db2.gz OSOXULWILQPIFK-UHFFFAOYSA-N 0 0 211.696 2.875 50 0 BFAARN CCN(CC)C(=O)c1ccc(C)cc1C ZINC000002003018 363072811 /nfs/dbraw/zinc/07/28/11/363072811.db2.gz YQCGAQBECDYQFQ-UHFFFAOYSA-N 0 0 205.301 2.785 50 0 BFAARN NC(=O)c1ccc(-c2ccc3[nH]ccc3c2)o1 ZINC000205018733 363080213 /nfs/dbraw/zinc/08/02/13/363080213.db2.gz VZGIWKYWPPDXRH-UHFFFAOYSA-N 0 0 226.235 2.527 50 0 BFAARN Cn1c2ccccc2nc1[C@H](O)c1ccccc1 ZINC000000499288 180625512 /nfs/dbraw/zinc/62/55/12/180625512.db2.gz XYXZIVDSZIRGFM-CQSZACIVSA-N 0 0 238.290 2.655 50 0 BFAARN CC[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000041881218 351860025 /nfs/dbraw/zinc/86/00/25/351860025.db2.gz ZSKOGOLHDNEBSE-MRVPVSSYSA-N 0 0 223.238 2.587 50 0 BFAARN CC(C)(C)Cc1nc(-c2cccnc2)no1 ZINC000006697216 363098209 /nfs/dbraw/zinc/09/82/09/363098209.db2.gz IAPYVBRLOIBGAA-UHFFFAOYSA-N 0 0 217.272 2.720 50 0 BFAARN CCCCOc1cc(F)ccc1-c1ncn(C)n1 ZINC000426640588 191144213 /nfs/dbraw/zinc/14/42/13/191144213.db2.gz XPFAMYQECNVWMN-UHFFFAOYSA-N 0 0 249.289 2.800 50 0 BFAARN CC(=O)Nc1ccc2c(c1)ncn2C(C)(C)C ZINC000000196214 187582350 /nfs/dbraw/zinc/58/23/50/187582350.db2.gz AJXKVFQOZOQNRD-UHFFFAOYSA-N 0 0 231.299 2.750 50 0 BFAARN CC(=O)c1c(C)[nH]c(C(=O)OC(C)(C)C)c1C ZINC000000056664 187582475 /nfs/dbraw/zinc/58/24/75/187582475.db2.gz ANUXYJVRWSTYSY-UHFFFAOYSA-N 0 0 237.299 2.789 50 0 BFAARN COc1ncc(C(F)(F)F)cc1Cl ZINC000000157719 187582509 /nfs/dbraw/zinc/58/25/09/187582509.db2.gz ZRRBUQUZQJTWRO-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN Cc1ccnc(NC(=O)c2ccc(F)cc2)c1 ZINC000000343011 187583256 /nfs/dbraw/zinc/58/32/56/187583256.db2.gz ZMARVBQVOZBFAO-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN CC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000020269420 187590953 /nfs/dbraw/zinc/59/09/53/187590953.db2.gz NKIIAHUNWNEGHJ-UHFFFAOYSA-N 0 0 207.660 2.953 50 0 BFAARN CC(C)C[C@@H](C)N(C)c1cc(Cl)nc(N)n1 ZINC000088300385 187613384 /nfs/dbraw/zinc/61/33/84/187613384.db2.gz JREKWRWXTQVBGB-MRVPVSSYSA-N 0 0 242.754 2.583 50 0 BFAARN Cc1ccc(NC(=O)[C@@H](C)n2cccn2)cc1F ZINC000012915306 187662149 /nfs/dbraw/zinc/66/21/49/187662149.db2.gz BCQBIIQIRKFIEM-SNVBAGLBSA-N 0 0 247.273 2.530 50 0 BFAARN C[C@H](Cc1ccco1)NC(=O)CC1CCCC1 ZINC000044443806 352326304 /nfs/dbraw/zinc/32/63/04/352326304.db2.gz JHMFEHNMZXEZEN-LLVKDONJSA-N 0 0 235.327 2.907 50 0 BFAARN Oc1ccccc1SCCOCC(F)F ZINC000225440648 187665897 /nfs/dbraw/zinc/66/58/97/187665897.db2.gz DSKSNZUUTRKXEL-UHFFFAOYSA-N 0 0 234.267 2.766 50 0 BFAARN CCc1ccc(C[NH+]2CCC(C(=O)[O-])CC2)cc1 ZINC000003747672 352356029 /nfs/dbraw/zinc/35/60/29/352356029.db2.gz PYPCGTJNQUYYKB-UHFFFAOYSA-N 0 0 247.338 2.546 50 0 BFAARN CC(C)c1nccn1Cc1ccncc1F ZINC000334587062 352350906 /nfs/dbraw/zinc/35/09/06/352350906.db2.gz MUSFZUGYVBAFTL-UHFFFAOYSA-N 0 0 219.263 2.589 50 0 BFAARN Cc1ccsc1C(=O)N1CCC[C@H](C)C1 ZINC000033023540 187710827 /nfs/dbraw/zinc/71/08/27/187710827.db2.gz UCLHEUDAUGDWQJ-VIFPVBQESA-N 0 0 223.341 2.929 50 0 BFAARN CCCCCC[C@H](O)[C@@H](O)CCCC ZINC000002576965 168678724 /nfs/dbraw/zinc/67/87/24/168678724.db2.gz COLYTQSCHUMMSR-RYUDHWBXSA-N 0 0 202.338 2.869 50 0 BFAARN CCCCCC[C@H](O)[C@H](O)CCCC ZINC000002576968 168679202 /nfs/dbraw/zinc/67/92/02/168679202.db2.gz COLYTQSCHUMMSR-NEPJUHHUSA-N 0 0 202.338 2.869 50 0 BFAARN CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000004529974 187928915 /nfs/dbraw/zinc/92/89/15/187928915.db2.gz HDEIBESKFFIEPU-KPOGDXOBSA-N 0 0 221.344 2.727 50 0 BFAARN Cc1ccc(C)c(C(=O)CCC(=O)NC2CC2)c1 ZINC000006433389 187929722 /nfs/dbraw/zinc/92/97/22/187929722.db2.gz GTTWDHWERZIZJZ-UHFFFAOYSA-N 0 0 245.322 2.545 50 0 BFAARN CC(=O)CCc1c(C)[nH]c2c(C)cccc2c1=O ZINC000005687276 187930101 /nfs/dbraw/zinc/93/01/01/187930101.db2.gz CEUSSAZWZBNLBN-UHFFFAOYSA-N 0 0 243.306 2.667 50 0 biogenic BFAARN CC(C)CC(=O)N(C)Cc1ccccc1 ZINC000005497449 187930129 /nfs/dbraw/zinc/93/01/29/187930129.db2.gz KSBUVPSHIODYKG-UHFFFAOYSA-N 0 0 205.301 2.691 50 0 BFAARN CC(=O)c1csc(-c2csc(C)n2)n1 ZINC000000122741 187924038 /nfs/dbraw/zinc/92/40/38/187924038.db2.gz DYZFPIQKTUEXNE-UHFFFAOYSA-N 0 0 224.310 2.778 50 0 BFAARN Cc1cccc(Cc2cnc(N)s2)c1 ZINC000000097524 187924063 /nfs/dbraw/zinc/92/40/63/187924063.db2.gz MGQBSRMDCGCJHR-UHFFFAOYSA-N 0 0 204.298 2.625 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(F)c1F ZINC000015002888 187933319 /nfs/dbraw/zinc/93/33/19/187933319.db2.gz KGRUTMGZAZREQL-RITPCOANSA-N 0 0 229.201 2.698 50 0 BFAARN CC(=O)Oc1cccc(C(=O)c2cccs2)c1 ZINC000043210680 187949210 /nfs/dbraw/zinc/94/92/10/187949210.db2.gz HQARSRZFEFLFQW-UHFFFAOYSA-N 0 0 246.287 2.904 50 0 BFAARN Clc1nc2c(cncc2Cl)s1 ZINC000059269077 187956296 /nfs/dbraw/zinc/95/62/96/187956296.db2.gz GIABXDLWFMADBA-UHFFFAOYSA-N 0 0 205.069 2.998 50 0 BFAARN CC(=O)Nc1cc(F)c(Cl)c(F)c1 ZINC000065336902 187958545 /nfs/dbraw/zinc/95/85/45/187958545.db2.gz CYAIADZKNAOZHU-UHFFFAOYSA-N 0 0 205.591 2.577 50 0 BFAARN CC1(C)N=C(c2cccs2)C(=S)N1 ZINC000067172544 187958949 /nfs/dbraw/zinc/95/89/49/187958949.db2.gz ZEADMGDCTMWPMT-UHFFFAOYSA-N 0 0 210.327 2.615 50 0 BFAARN FC(F)(F)c1nc(Cl)ncc1Cl ZINC000071790185 187960705 /nfs/dbraw/zinc/96/07/05/187960705.db2.gz TXXQDEGSBJJCSM-UHFFFAOYSA-N 0 0 216.977 2.802 50 0 BFAARN CC(=O)N(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000032123930 188011588 /nfs/dbraw/zinc/01/15/88/188011588.db2.gz ZQHBTGDDQZQNEP-UHFFFAOYSA-N 0 0 228.295 2.679 50 0 biogenic BFAARN CC(C)=CC(=O)N(C)Cc1ccsc1 ZINC000061529158 188012795 /nfs/dbraw/zinc/01/27/95/188012795.db2.gz GYWOOBBQAVEEHP-UHFFFAOYSA-N 0 0 209.314 2.673 50 0 BFAARN Cc1cc(C(=O)NCCC2=CCCCC2)on1 ZINC000025717041 353125627 /nfs/dbraw/zinc/12/56/27/353125627.db2.gz OTCOXAANNDZMQP-UHFFFAOYSA-N 0 0 234.299 2.603 50 0 BFAARN CC(C)(C)c1ccc(NC(=O)c2ccco2)nn1 ZINC000096411014 188016741 /nfs/dbraw/zinc/01/67/41/188016741.db2.gz HJHMCFVQSZQSNA-UHFFFAOYSA-N 0 0 245.282 2.619 50 0 BFAARN CC(C)Cn1ccnc1CNc1ncccc1F ZINC000096483036 188017224 /nfs/dbraw/zinc/01/72/24/188017224.db2.gz POSMXFYVUBRSHE-UHFFFAOYSA-N 0 0 248.305 2.685 50 0 BFAARN COc1cc(N)ccc1OCc1ccccc1 ZINC000002018815 188049486 /nfs/dbraw/zinc/04/94/86/188049486.db2.gz QICKPCCDIZRANX-UHFFFAOYSA-N 0 0 229.279 2.856 50 0 BFAARN FC(F)(F)CN[C@@H]1CCCc2cccnc21 ZINC000085789420 180884119 /nfs/dbraw/zinc/88/41/19/180884119.db2.gz CGGVGOVSZDYEAI-SECBINFHSA-N 0 0 230.233 2.611 50 0 BFAARN FC(F)(F)c1ccc2c(c1)OCCN2 ZINC000040448217 180894735 /nfs/dbraw/zinc/89/47/35/180894735.db2.gz YEPAXHCFTVUJLJ-UHFFFAOYSA-N 0 0 203.163 2.510 50 0 BFAARN FC(F)(F)c1ccccc1CCn1cnnc1 ZINC000065382945 180896048 /nfs/dbraw/zinc/89/60/48/180896048.db2.gz SEPNKDDOXVMLNA-UHFFFAOYSA-N 0 0 241.216 2.540 50 0 BFAARN CCCCCNC(=O)c1cc(Cl)c[nH]1 ZINC000012935938 168714277 /nfs/dbraw/zinc/71/42/77/168714277.db2.gz XLZWYHLYUFMLTP-UHFFFAOYSA-N 0 0 214.696 2.588 50 0 BFAARN C1CC1c1nsc(N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000089817889 188271419 /nfs/dbraw/zinc/27/14/19/188271419.db2.gz BOWWEOJEOKNNMM-UWVGGRQHSA-N 0 0 235.356 2.652 50 0 BFAARN CCC(=O)NC(=S)Nc1ccccc1Cl ZINC000000341972 188272914 /nfs/dbraw/zinc/27/29/14/188272914.db2.gz DRDGCOZQTQKHDY-UHFFFAOYSA-N 0 0 242.731 2.563 50 0 BFAARN On1c2ccccc2nc1-c1ccccc1 ZINC000001391331 188273334 /nfs/dbraw/zinc/27/33/34/188273334.db2.gz MVXMDWWPPYZUGR-UHFFFAOYSA-N 0 0 210.236 2.941 50 0 BFAARN CC1(C)Cn2c(nnc2-c2ccccc2)S1 ZINC000000545177 188273352 /nfs/dbraw/zinc/27/33/52/188273352.db2.gz FFVTZBCEZRPMKX-UHFFFAOYSA-N 0 0 231.324 2.829 50 0 BFAARN CC(C)[C@@H]1NC(=S)N=C2CCCCC21 ZINC000001321944 188273353 /nfs/dbraw/zinc/27/33/53/188273353.db2.gz HEGPWLIGDINTCM-JTQLQIEISA-N 0 0 210.346 2.728 50 0 BFAARN CC(=O)CC(=O)Nc1cc(Cl)ccc1C ZINC000000449515 188273710 /nfs/dbraw/zinc/27/37/10/188273710.db2.gz SGUFPRJAMBWKAZ-UHFFFAOYSA-N 0 0 225.675 2.566 50 0 BFAARN CCOC(=O)[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000002731910 188275151 /nfs/dbraw/zinc/27/51/51/188275151.db2.gz JWOBMCBGTXAJBG-NWDGAFQWSA-N 0 0 204.269 2.662 50 0 BFAARN CC(=O)Oc1ccc2[nH]c(C)c(C(C)=O)c2c1 ZINC000004113391 188275383 /nfs/dbraw/zinc/27/53/83/188275383.db2.gz XDOASOOSRXBBPR-UHFFFAOYSA-N 0 0 231.251 2.604 50 0 BFAARN Cc1ccc(SCCCn2cncn2)cc1 ZINC000002844400 188275678 /nfs/dbraw/zinc/27/56/78/188275678.db2.gz FTYYDISYIAHTKX-UHFFFAOYSA-N 0 0 233.340 2.769 50 0 BFAARN FC(F)(F)c1nc(=S)[nH]c2c1CCCC2 ZINC000004137253 188275796 /nfs/dbraw/zinc/27/57/96/188275796.db2.gz CMQQXAWOTCAVBD-UHFFFAOYSA-N 0 0 234.246 2.663 50 0 BFAARN C(=C/c1ccccc1)\c1nnnn1-c1ccccc1 ZINC000004013638 188276075 /nfs/dbraw/zinc/27/60/75/188276075.db2.gz JGIUHBSOZRGDEX-VAWYXSNFSA-N 0 0 248.289 2.833 50 0 BFAARN CC(=O)Oc1ccc2c(c1C)CCCC2 ZINC000004699460 188276712 /nfs/dbraw/zinc/27/67/12/188276712.db2.gz HQBXAPAPGREKBF-UHFFFAOYSA-N 0 0 204.269 2.799 50 0 BFAARN O=Cc1ccc2c(c1)CCN2C1CCCC1 ZINC000004384358 188276903 /nfs/dbraw/zinc/27/69/03/188276903.db2.gz KNCJUEVZZWFRFB-UHFFFAOYSA-N 0 0 215.296 2.804 50 0 BFAARN CC(C)C[C@@H]1Cc2nc(N)sc2C(=O)C1 ZINC000005188606 188277336 /nfs/dbraw/zinc/27/73/36/188277336.db2.gz GAUUPODYGAUQPH-SSDOTTSWSA-N 0 0 224.329 2.517 50 0 BFAARN CC(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000009230421 188278822 /nfs/dbraw/zinc/27/88/22/188278822.db2.gz KJVPGCKNZSJQQD-UHFFFAOYSA-N 0 0 246.310 2.630 50 0 BFAARN O=C(c1ccc(-c2ccccc2F)o1)N1CCC1 ZINC000012976329 188279297 /nfs/dbraw/zinc/27/92/97/188279297.db2.gz QSQXNERHIBMMSX-UHFFFAOYSA-N 0 0 245.253 2.932 50 0 BFAARN CSc1ccc(Br)cn1 ZINC000012359441 188279438 /nfs/dbraw/zinc/27/94/38/188279438.db2.gz CFBYLVDSPYTKPR-UHFFFAOYSA-N 0 0 204.092 2.566 50 0 BFAARN OCc1ccccc1COc1ccccc1 ZINC000012370594 188279908 /nfs/dbraw/zinc/27/99/08/188279908.db2.gz RMRTWBZKENSMCI-UHFFFAOYSA-N 0 0 214.264 2.758 50 0 BFAARN Cc1ccc(NC(=O)NCC(C)C)cc1F ZINC000040098037 188283815 /nfs/dbraw/zinc/28/38/15/188283815.db2.gz RSKVLKYQGHOTRO-UHFFFAOYSA-N 0 0 224.279 2.912 50 0 BFAARN Brc1nccn1-c1ccccc1 ZINC000034936272 188284579 /nfs/dbraw/zinc/28/45/79/188284579.db2.gz KKPQUNLAAJJUCR-UHFFFAOYSA-N 0 0 223.073 2.635 50 0 BFAARN Ic1cc2ccccc2[nH]1 ZINC000038284714 188291002 /nfs/dbraw/zinc/29/10/02/188291002.db2.gz ZPIHHIRJUPXETJ-UHFFFAOYSA-N 0 0 243.047 2.773 50 0 BFAARN Nc1cnc2cc(Br)ccc2c1 ZINC000058573973 188302051 /nfs/dbraw/zinc/30/20/51/188302051.db2.gz CCHYPYCCQBLGLJ-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN C/C=C/C=C/C(=O)N(CCOC)C1CCCC1 ZINC000069371505 188304664 /nfs/dbraw/zinc/30/46/64/188304664.db2.gz ZJSAUFDTTWYFEL-COBAKMAKSA-N 0 0 237.343 2.536 50 0 BFAARN CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccno2)C1(C)C ZINC000095992919 188321022 /nfs/dbraw/zinc/32/10/22/188321022.db2.gz WFKGXPUXZKGCBX-VXGBXAGGSA-N 0 0 248.326 2.529 50 0 BFAARN CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccno2)C1(C)C ZINC000095992921 188321563 /nfs/dbraw/zinc/32/15/63/188321563.db2.gz WFKGXPUXZKGCBX-NEPJUHHUSA-N 0 0 248.326 2.529 50 0 BFAARN CC(C)N(C)C(=O)c1ccc(Cl)cc1F ZINC000097077360 188321938 /nfs/dbraw/zinc/32/19/38/188321938.db2.gz QVXXQLXGVQUYQC-UHFFFAOYSA-N 0 0 229.682 2.960 50 0 BFAARN COc1ccc(CNc2cc(C)on2)cc1OC ZINC000083378384 188317083 /nfs/dbraw/zinc/31/70/83/188317083.db2.gz SAFOQHIMBYNEME-UHFFFAOYSA-N 0 0 248.282 2.612 50 0 BFAARN Cc1cc(C(=O)N2C[C@H]3CCC[C@@H]3C2)oc1C ZINC000095425848 188319259 /nfs/dbraw/zinc/31/92/59/188319259.db2.gz IGEQTJKMPXMEPG-VXGBXAGGSA-N 0 0 233.311 2.769 50 0 BFAARN Cc1cc(Cl)cc(Cl)c1NC(N)=S ZINC000095725633 188319683 /nfs/dbraw/zinc/31/96/83/188319683.db2.gz VNDOLXOJGVRXCZ-UHFFFAOYSA-N 0 0 235.139 2.957 50 0 BFAARN CC(=O)c1ccc2c(c1)COC(C)(C)O2 ZINC000114923496 188327219 /nfs/dbraw/zinc/32/72/19/188327219.db2.gz GWGAWPNKXNYQLT-UHFFFAOYSA-N 0 0 206.241 2.534 50 0 BFAARN CCCCCC12CCC(O)(CC1)C[C@@H]2O ZINC000002471451 188336249 /nfs/dbraw/zinc/33/62/49/188336249.db2.gz QJKRSZFOYIWSSH-HIFPTAJRSA-N 0 0 212.333 2.623 50 0 BFAARN CC(C)(C)N1C(=O)CC(=O)C[C@@H]1c1ccccc1 ZINC000001402366 353387171 /nfs/dbraw/zinc/38/71/71/353387171.db2.gz VLLWCNTUXHROIS-CYBMUJFWSA-N 0 0 245.322 2.718 50 0 BFAARN Fc1ccc(-c2ccnc(N3CCCC3)n2)cc1 ZINC000067320828 180956700 /nfs/dbraw/zinc/95/67/00/180956700.db2.gz FLUPFZJHJBAQBC-UHFFFAOYSA-N 0 0 243.285 2.883 50 0 BFAARN C/C=C/C=C\C(=O)Nc1nc(C)c(C)s1 ZINC000096983283 188366135 /nfs/dbraw/zinc/36/61/35/188366135.db2.gz ZLKZTIHRZAKGRJ-DEQVHDEQSA-N 0 0 222.313 2.831 50 0 BFAARN NC(=O)c1ccccc1-c1cccc(F)c1 ZINC000096675799 188366660 /nfs/dbraw/zinc/36/66/60/188366660.db2.gz FYNUJNYNUVOPQU-UHFFFAOYSA-N 0 0 215.227 2.592 50 0 BFAARN Fc1ccc(Cc2ccnc(Cl)n2)cc1 ZINC000034924956 180972113 /nfs/dbraw/zinc/97/21/13/180972113.db2.gz YENNICMWSFFCQH-UHFFFAOYSA-N 0 0 222.650 2.860 50 0 BFAARN Fc1ccccc1-c1nnc2ccc(Cl)nn21 ZINC000036903783 181009005 /nfs/dbraw/zinc/00/90/05/181009005.db2.gz LLGBCOHTUHFRBO-UHFFFAOYSA-N 0 0 248.648 2.584 50 0 BFAARN Fc1ccnc(OCCC(F)(F)F)c1 ZINC000169725408 181016692 /nfs/dbraw/zinc/01/66/92/181016692.db2.gz AUGZVWLILUWGFM-UHFFFAOYSA-N 0 0 209.142 2.552 50 0 BFAARN Fc1cccnc1OCCC(F)(F)F ZINC000169725332 181017270 /nfs/dbraw/zinc/01/72/70/181017270.db2.gz ZORMHBQOVRAIOK-UHFFFAOYSA-N 0 0 209.142 2.552 50 0 BFAARN Fc1nc(Br)ccc1Cl ZINC000095763737 181020607 /nfs/dbraw/zinc/02/06/07/181020607.db2.gz MSTTVEVXARNGRW-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN Fc1nc(OC(F)F)ccc1Br ZINC000263625290 181021511 /nfs/dbraw/zinc/02/15/11/181021511.db2.gz YLBDNDCXDIOOKT-UHFFFAOYSA-N 0 0 241.994 2.585 50 0 BFAARN O=C(NC[C@@H]1CCCC1(F)F)C1CC=CC1 ZINC000334531833 353910483 /nfs/dbraw/zinc/91/04/83/353910483.db2.gz GGOFCAQZINDSJW-JTQLQIEISA-N 0 0 229.270 2.504 50 0 BFAARN CCCC(=O)NC(=O)Nc1ccc(Cl)cc1 ZINC000000400476 363293513 /nfs/dbraw/zinc/29/35/13/363293513.db2.gz LEQKHOCVXIMYQA-UHFFFAOYSA-N 0 0 240.690 2.788 50 0 BFAARN Cn1cc(-c2nc3c(s2)CCC3(C)C)cn1 ZINC000334603900 354284801 /nfs/dbraw/zinc/28/48/01/354284801.db2.gz RHSCTJLCHKPWES-UHFFFAOYSA-N 0 0 233.340 2.767 50 0 BFAARN Cc1cnc(-c2noc(C(C)(C)F)n2)s1 ZINC000334666699 354468769 /nfs/dbraw/zinc/46/87/69/354468769.db2.gz FNFCGGMNMROQQZ-UHFFFAOYSA-N 0 0 227.264 2.706 50 0 BFAARN Cc1cccc(NC(=O)N[C@@H](C)C(C)(F)F)n1 ZINC000334695606 354487088 /nfs/dbraw/zinc/48/70/88/354487088.db2.gz FJEBAWSDTBGJDW-QMMMGPOBSA-N 0 0 243.257 2.555 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCc2ccccc21 ZINC000248497437 355214395 /nfs/dbraw/zinc/21/43/95/355214395.db2.gz KVIKCPVEKZRVPX-UXIGCNINSA-N 0 0 243.350 2.879 50 0 BFAARN Nc1ccc(C(F)(F)F)nc1-c1cccnc1 ZINC000047212444 355367215 /nfs/dbraw/zinc/36/72/15/355367215.db2.gz KWJSCSDRLVCSAQ-UHFFFAOYSA-N 0 0 239.200 2.745 50 0 BFAARN Fc1cc(C(F)(F)F)nc(F)c1F ZINC000047218601 355367587 /nfs/dbraw/zinc/36/75/87/355367587.db2.gz VSROAQVURXOMIA-UHFFFAOYSA-N 0 0 201.069 2.518 50 0 BFAARN Fc1ccc(C(F)(F)F)nc1OC(F)F ZINC000047203384 355362442 /nfs/dbraw/zinc/36/24/42/355362442.db2.gz SNTPATKWFZIQDI-UHFFFAOYSA-N 0 0 231.095 2.841 50 0 BFAARN CN(Cc1ccccc1F)C(=O)C1=CCC1 ZINC000335811495 355497414 /nfs/dbraw/zinc/49/74/14/355497414.db2.gz QATYMXZNUGVGEL-UHFFFAOYSA-N 0 0 219.259 2.504 50 0 BFAARN Cc1sc2ncnc(-c3cncnc3)c2c1C ZINC000032516041 355555191 /nfs/dbraw/zinc/55/51/91/355555191.db2.gz HFULUWCIRRKDOB-UHFFFAOYSA-N 0 0 242.307 2.765 50 0 BFAARN N=C(N1CCCCC1)C(Cl)(Cl)Cl ZINC000001758230 181197716 /nfs/dbraw/zinc/19/77/16/181197716.db2.gz ABJRCTRDGMDAGQ-UHFFFAOYSA-N 0 0 229.538 2.820 50 0 BFAARN N=C1N=C2c3ccccc3CN2Cc2ccccc21 ZINC000004023021 181206720 /nfs/dbraw/zinc/20/67/20/181206720.db2.gz MEYHMKCZRKNZOH-UHFFFAOYSA-N 0 0 247.301 2.788 50 0 biogenic BFAARN O[C@@H]1CCCC[C@@H]1Nc1cccc(F)c1F ZINC000040230486 355814672 /nfs/dbraw/zinc/81/46/72/355814672.db2.gz ZUGHOLBBPUTODQ-GXSJLCMTSA-N 0 0 227.254 2.680 50 0 BFAARN Cc1ccc(C(=O)Nc2cc(C)cc(C)n2)o1 ZINC000013200200 355846029 /nfs/dbraw/zinc/84/60/29/355846029.db2.gz ZSPDSRNJFTXFNK-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN Cc1occc1C(=O)N1CCc2ccccc2C1 ZINC000001480387 355857655 /nfs/dbraw/zinc/85/76/55/355857655.db2.gz YJCHNNQIHIITTQ-UHFFFAOYSA-N 0 0 241.290 2.787 50 0 BFAARN CC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000001685770 355911210 /nfs/dbraw/zinc/91/12/10/355911210.db2.gz AWRLPYQRPGYTBM-UHFFFAOYSA-N 0 0 219.071 2.534 50 0 BFAARN NCC(=O)c1sc2ccccc2c1Cl ZINC000216186803 355921761 /nfs/dbraw/zinc/92/17/61/355921761.db2.gz LAUHHXXLTYIMFD-UHFFFAOYSA-N 0 0 225.700 2.696 50 0 BFAARN CC(C)=CC(=O)NCc1ccc(C)s1 ZINC000049071989 355889586 /nfs/dbraw/zinc/88/95/86/355889586.db2.gz ICKKHZQZSDXDMQ-UHFFFAOYSA-N 0 0 209.314 2.639 50 0 BFAARN CCOc1ccc(NC(=O)c2coc(C)n2)cc1 ZINC000022538208 355943862 /nfs/dbraw/zinc/94/38/62/355943862.db2.gz XUNKXWBOPLGIRF-UHFFFAOYSA-N 0 0 246.266 2.634 50 0 BFAARN Cc1ccccc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000000396867 191943252 /nfs/dbraw/zinc/94/32/52/191943252.db2.gz GQXRSWYTAIVGBK-RYUDHWBXSA-N 0 0 248.326 2.636 50 0 BFAARN C[C@H](C1CC1)N(C)C(=O)c1ccnc(Cl)c1 ZINC000035207624 356034216 /nfs/dbraw/zinc/03/42/16/356034216.db2.gz QNTLCNFGOKQPPU-MRVPVSSYSA-N 0 0 238.718 2.606 50 0 BFAARN NC(=O)CCc1ccc(Oc2ccccc2)cc1 ZINC000077439729 181228082 /nfs/dbraw/zinc/22/80/82/181228082.db2.gz SYZSYUUENSURKV-UHFFFAOYSA-N 0 0 241.290 2.897 50 0 BFAARN NC(=O)NCc1ccc(NC2CCCCC2)cc1 ZINC000152917658 181259755 /nfs/dbraw/zinc/25/97/55/181259755.db2.gz TWYWNIIHIPJSJV-UHFFFAOYSA-N 0 0 247.342 2.600 50 0 BFAARN NC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000000435771 181261680 /nfs/dbraw/zinc/26/16/80/181261680.db2.gz FEUKXAYBBVOZJE-CQSZACIVSA-N 0 0 240.306 2.639 50 0 BFAARN NC(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000306327727 181261952 /nfs/dbraw/zinc/26/19/52/181261952.db2.gz NDGUVRVCNXKDAN-UHFFFAOYSA-N 0 0 223.034 2.623 50 0 BFAARN NC(=O)Nc1ccccc1-c1ccccc1 ZINC000001732309 181263578 /nfs/dbraw/zinc/26/35/78/181263578.db2.gz HWLYIRABQGWLBV-UHFFFAOYSA-N 0 0 212.252 2.844 50 0 BFAARN NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000156910 181264171 /nfs/dbraw/zinc/26/41/71/181264171.db2.gz ZZOKVYOCRSMTSS-UHFFFAOYSA-N 0 0 239.274 2.894 50 0 BFAARN CC(C)(C)NC(=O)NCc1ccccc1Cl ZINC000000137701 356357342 /nfs/dbraw/zinc/35/73/42/356357342.db2.gz JLNOQDXNOCSEPU-UHFFFAOYSA-N 0 0 240.734 2.938 50 0 BFAARN Cc1ccccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000000396866 356358208 /nfs/dbraw/zinc/35/82/08/356358208.db2.gz GQXRSWYTAIVGBK-VXGBXAGGSA-N 0 0 248.326 2.636 50 0 BFAARN O[C@@]1(c2ccccc2)CCOc2ccccc21 ZINC000000400327 356359020 /nfs/dbraw/zinc/35/90/20/356359020.db2.gz PKMBLSGNHNQTPT-OAHLLOKOSA-N 0 0 226.275 2.705 50 0 BFAARN CCN(CC)C(=O)[C@H](C)c1ccccc1 ZINC000000409776 356359401 /nfs/dbraw/zinc/35/94/01/356359401.db2.gz WYYLJNMMIABVJR-LLVKDONJSA-N 0 0 205.301 2.659 50 0 BFAARN O=S1(=O)C[C@]23CC=CC[C@]2(C1)CCCCC3 ZINC000045027798 356372116 /nfs/dbraw/zinc/37/21/16/356372116.db2.gz CPKLIMBAKYFUMJ-STQMWFEESA-N 0 0 240.368 2.702 50 0 BFAARN O=C(c1ccco1)N1CCC[C@H]1c1ccco1 ZINC000015836033 356377226 /nfs/dbraw/zinc/37/72/26/356377226.db2.gz KYNRRTSASJNEGI-JTQLQIEISA-N 0 0 231.251 2.850 50 0 BFAARN Cc1ccc(CC(O)=CC(=O)C(F)(F)F)cc1 ZINC000101691750 356469840 /nfs/dbraw/zinc/46/98/40/356469840.db2.gz FOTCJBROBGJIIQ-UHFFFAOYSA-N 0 0 244.212 2.628 50 0 BFAARN NC(=O)[C@]1(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000051330284 181285537 /nfs/dbraw/zinc/28/55/37/181285537.db2.gz BUIVWFXITQHJJQ-ZBFHGGJFSA-N 0 0 237.302 2.597 50 0 BFAARN CSc1ccc(C(=O)NC(C)C)cc1 ZINC000012919167 356604552 /nfs/dbraw/zinc/60/45/52/356604552.db2.gz HKSJKBJXHSUPHG-UHFFFAOYSA-N 0 0 209.314 2.547 50 0 BFAARN CC(C)c1nnc(Cc2cccc(F)c2)o1 ZINC000040350960 356650410 /nfs/dbraw/zinc/65/04/10/356650410.db2.gz PHUOYLKCJHLGNX-UHFFFAOYSA-N 0 0 220.247 2.923 50 0 BFAARN O=Cc1ccc(-c2cc(F)ccc2F)cn1 ZINC000675069122 538497834 /nfs/dbraw/zinc/49/78/34/538497834.db2.gz BWURXOKFLKZRSF-UHFFFAOYSA-N 0 0 219.190 2.839 50 0 BFAARN O=C1CCCCC1=C(O)C1CCCCC1 ZINC000219859987 538534804 /nfs/dbraw/zinc/53/48/04/538534804.db2.gz NKYINBIJTKYRJI-NSHDSACASA-N 0 0 208.301 2.895 50 0 BFAARN O=C(c1cccs1)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000089799903 538583214 /nfs/dbraw/zinc/58/32/14/538583214.db2.gz FDGUUEWNXDFVOP-GHMZBOCLSA-N 0 0 233.336 2.786 50 0 BFAARN O=C(C1CCCC1)N1CC[C@H]2CCCC[C@H]21 ZINC000089818677 538584777 /nfs/dbraw/zinc/58/47/77/538584777.db2.gz XQYAVRQKNONDLS-DGCLKSJQSA-N 0 0 221.344 2.968 50 0 BFAARN CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCC(=O)[O-] ZINC000212294659 356732206 /nfs/dbraw/zinc/73/22/06/356732206.db2.gz VCYDMBGTTJDGSG-CQSZACIVSA-N 0 0 249.354 2.723 50 0 BFAARN COC[C@@H]1CCCN1C(=O)C1CCCCCC1 ZINC000095407225 538604632 /nfs/dbraw/zinc/60/46/32/538604632.db2.gz UEDHNWVKBXCPTF-ZDUSSCGKSA-N 0 0 239.359 2.594 50 0 BFAARN Cn1cc(/C=C/c2ccnnc2)c(C(C)(C)C)n1 ZINC000095455437 538605874 /nfs/dbraw/zinc/60/58/74/538605874.db2.gz OPJIRIDHXVPCMK-AATRIKPKSA-N 0 0 242.326 2.678 50 0 BFAARN COc1cccc(-c2cncc(C=O)c2)c1OC ZINC000135065120 538613238 /nfs/dbraw/zinc/61/32/38/538613238.db2.gz LVVZUUHTGBPPFT-UHFFFAOYSA-N 0 0 243.262 2.578 50 0 BFAARN CC1(C)C[C@H]([NH2+][C@H]2CCOC2)c2ccccc21 ZINC000095983722 538614837 /nfs/dbraw/zinc/61/48/37/538614837.db2.gz UVCYJXMOPGBZSQ-FZMZJTMJSA-N 0 0 231.339 2.788 50 0 BFAARN C[C@@H](NC(=O)C1CCC1)c1ccccc1F ZINC000012915289 538778141 /nfs/dbraw/zinc/77/81/41/538778141.db2.gz AALLHYHMGIWUSB-SECBINFHSA-N 0 0 221.275 2.803 50 0 BFAARN Nc1n[nH]c2cc(-c3ccccc3)ccc12 ZINC000008733638 357133690 /nfs/dbraw/zinc/13/36/90/357133690.db2.gz JVRYRQAVZOZLTL-UHFFFAOYSA-N 0 0 209.252 2.812 50 0 BFAARN Cc1occc1C(=O)NCCc1cccc(F)c1 ZINC000012987337 358026419 /nfs/dbraw/zinc/02/64/19/358026419.db2.gz FSBSLNQNIILIOR-UHFFFAOYSA-N 0 0 247.269 2.700 50 0 BFAARN CC(C)(C)c1cc(NC(=O)C2CC2)ccn1 ZINC000041571081 358058945 /nfs/dbraw/zinc/05/89/45/358058945.db2.gz SJZXIJWGPVAHCN-UHFFFAOYSA-N 0 0 218.300 2.728 50 0 BFAARN COC(=O)c1scc(C)c1-n1cccc1 ZINC000000081989 358076288 /nfs/dbraw/zinc/07/62/88/358076288.db2.gz GFINFHUMZPIJEB-UHFFFAOYSA-N 0 0 221.281 2.634 50 0 BFAARN Clc1ccc(C2OCC=CCO2)cc1 ZINC000075252443 358098937 /nfs/dbraw/zinc/09/89/37/358098937.db2.gz LOXOJCXYKAMRFQ-UHFFFAOYSA-N 0 0 210.660 2.942 50 0 BFAARN Cn1[nH]c(=O)cc1-c1ccc(Cl)cc1F ZINC000075284506 358099561 /nfs/dbraw/zinc/09/95/61/358099561.db2.gz VFKLDGMMDOFCCG-UHFFFAOYSA-N 0 0 226.638 2.585 50 0 BFAARN C/C(=C\c1ccc2c(c1)CCO2)c1cnccn1 ZINC000221884945 358133155 /nfs/dbraw/zinc/13/31/55/358133155.db2.gz KQPKAOXKZLFGES-DHZHZOJOSA-N 0 0 238.290 2.972 50 0 BFAARN Cc1cnc(C(=O)Nc2cccc(Cl)c2)cn1 ZINC000013011907 358171994 /nfs/dbraw/zinc/17/19/94/358171994.db2.gz YXSDZJGCKBDNFZ-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1cc(O)ccc1C(=O)c1ccccc1 ZINC000039332502 358222413 /nfs/dbraw/zinc/22/24/13/358222413.db2.gz XPCXDJJTFCXJIU-UHFFFAOYSA-N 0 0 212.248 2.932 50 0 BFAARN C[C@H]1CCCN1C(=O)C1CCCCCC1 ZINC000173142700 134272713 /nfs/dbraw/zinc/27/27/13/134272713.db2.gz GEFGYCQFRGFHIC-NSHDSACASA-N 0 0 209.333 2.968 50 0 BFAARN CCCC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000031561653 358447361 /nfs/dbraw/zinc/44/73/61/358447361.db2.gz QELYWTKSQKNBKM-UHFFFAOYSA-N 0 0 229.283 2.815 50 0 BFAARN CCCCS[C@@H]1CCCN(C(C)C)C1=O ZINC000170652045 363610895 /nfs/dbraw/zinc/61/08/95/363610895.db2.gz UZMKSUYIUBXBNF-LLVKDONJSA-N 0 0 229.389 2.919 50 0 BFAARN Cc1[nH]c2ccccc2c1C(=O)NCC1CC1 ZINC000027467068 358439755 /nfs/dbraw/zinc/43/97/55/358439755.db2.gz NCHGFVWQSXRENR-UHFFFAOYSA-N 0 0 228.295 2.616 50 0 BFAARN CCc1ccc(OCCCC(=O)NC(C)C)cc1 ZINC000001773854 358551761 /nfs/dbraw/zinc/55/17/61/358551761.db2.gz CHHWOOUTDPXZLU-UHFFFAOYSA-N 0 0 249.354 2.933 50 0 BFAARN O=C(CCc1ccccc1Cl)N1CCCC1 ZINC000044866916 358556649 /nfs/dbraw/zinc/55/66/49/358556649.db2.gz BTEFCCJOJBJYQX-UHFFFAOYSA-N 0 0 237.730 2.895 50 0 BFAARN CC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000047409278 358588757 /nfs/dbraw/zinc/58/87/57/358588757.db2.gz BITCLKGJEJFYND-UHFFFAOYSA-N 0 0 247.273 2.587 50 0 BFAARN COC(=O)CSCc1ccccc1Cl ZINC000006452835 358776448 /nfs/dbraw/zinc/77/64/48/358776448.db2.gz YZYBEVUUDWKIAA-UHFFFAOYSA-N 0 0 230.716 2.746 50 0 BFAARN CCCc1cc2c3c(c(=O)oc2cc1O)CCC3 ZINC000000123031 359617532 /nfs/dbraw/zinc/61/75/32/359617532.db2.gz GHJWXFGKLYOTDZ-UHFFFAOYSA-N 0 0 244.290 2.940 50 0 biogenic BFAARN CCCCC[C@H]1C(=O)CC[C@H]1CC(=O)OC ZINC000002077819 359635168 /nfs/dbraw/zinc/63/51/68/359635168.db2.gz KVWWIYGFBYDJQC-WDEREUQCSA-N 0 0 226.316 2.725 50 0 biogenic,in-vitro BFAARN CCCCSc1nc(CCC)cc(=O)[nH]1 ZINC000008772863 359683241 /nfs/dbraw/zinc/68/32/41/359683241.db2.gz ZQGLOVBUZIZBBB-UHFFFAOYSA-N 0 0 226.345 2.615 50 0 BFAARN COC1CCN(C(=O)C2CCCCCC2)CC1 ZINC000089409598 360017724 /nfs/dbraw/zinc/01/77/24/360017724.db2.gz LEMPBZQRTQJXKQ-UHFFFAOYSA-N 0 0 239.359 2.594 50 0 BFAARN CC[C@@H]1CCCN(C(=O)[C@@H]2CCCS2)C1 ZINC000089948289 360049705 /nfs/dbraw/zinc/04/97/05/360049705.db2.gz JLMMBFMKXYIXQH-MNOVXSKESA-N 0 0 227.373 2.531 50 0 BFAARN CC(C)(C)C(=O)COC(=O)c1cccc(F)c1 ZINC000006558504 360083947 /nfs/dbraw/zinc/08/39/47/360083947.db2.gz ZCIIXTAKQJWFJQ-UHFFFAOYSA-N 0 0 238.258 2.598 50 0 BFAARN CCCCC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000036076016 360562878 /nfs/dbraw/zinc/56/28/78/360562878.db2.gz JHLCESZOWJGWSH-AWEZNQCLSA-N 0 0 247.338 2.777 50 0 BFAARN CNC(=O)c1cccc(O[C@@H]2C=CCCC2)c1 ZINC000069629174 219828106 /nfs/dbraw/zinc/82/81/06/219828106.db2.gz VCHABDIAPAOQDV-GFCCVEGCSA-N 0 0 231.295 2.534 50 0 BFAARN NC(=O)c1cccc(COc2ccccc2F)c1 ZINC000047438540 181302798 /nfs/dbraw/zinc/30/27/98/181302798.db2.gz VITQGVMUOHMLLS-UHFFFAOYSA-N 0 0 245.253 2.504 50 0 BFAARN COCc1nn2cc(-c3ccccc3)nc2s1 ZINC000006748248 360712560 /nfs/dbraw/zinc/71/25/60/360712560.db2.gz FPRCELGICKRMFN-UHFFFAOYSA-N 0 0 245.307 2.604 50 0 BFAARN C/C(=C\C(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000055422456 200657758 /nfs/dbraw/zinc/65/77/58/200657758.db2.gz WWXCVJMHLPVYGK-NXFSIWHZSA-N 0 0 249.354 2.513 50 0 BFAARN CC(C)C[C@H](C)N(C)c1cc(Cl)nc(N)n1 ZINC000088300389 200658498 /nfs/dbraw/zinc/65/84/98/200658498.db2.gz JREKWRWXTQVBGB-QMMMGPOBSA-N 0 0 242.754 2.583 50 0 BFAARN NC(=S)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000040713050 181319761 /nfs/dbraw/zinc/31/97/61/181319761.db2.gz JPCYQRBIHAGREP-UHFFFAOYSA-N 0 0 238.209 2.500 50 0 BFAARN CN(Cc1ccsc1)C(=O)CCc1ccco1 ZINC000036397932 361083382 /nfs/dbraw/zinc/08/33/82/361083382.db2.gz XNZHPIPHZJAAGE-UHFFFAOYSA-N 0 0 249.335 2.932 50 0 BFAARN CCOC(=O)c1cc[nH]c1-c1ccccc1 ZINC000036460034 361155352 /nfs/dbraw/zinc/15/53/52/361155352.db2.gz JXBFCSVZYAPKSV-UHFFFAOYSA-N 0 0 215.252 2.858 50 0 BFAARN CCSC1=NN/C(=C2/C=Nc3ccccc32)O1 ZINC000013123810 361200415 /nfs/dbraw/zinc/20/04/15/361200415.db2.gz GDXLBWJSLGAOBF-PKNBQFBNSA-N 0 0 245.307 2.715 50 0 BFAARN COc1cncc(-c2cccc(N(C)C)c2)c1 ZINC000426620237 200994801 /nfs/dbraw/zinc/99/48/01/200994801.db2.gz NNZWOOKUEXOMIM-UHFFFAOYSA-N 0 0 228.295 2.823 50 0 BFAARN CO[C@@H](C)c1cccc(-c2ccc(C(N)=O)o2)c1 ZINC000426730291 200997497 /nfs/dbraw/zinc/99/74/97/200997497.db2.gz CTDGBRQQYCMFNQ-VIFPVBQESA-N 0 0 245.278 2.753 50 0 BFAARN CCc1nc([C@@H]2CCCN2[C@@H]2C=CCCC2)no1 ZINC000257365274 370689547 /nfs/dbraw/zinc/68/95/47/370689547.db2.gz OVGWYGKOWXOEJI-NEPJUHHUSA-N 0 0 247.342 2.878 50 0 BFAARN O=C([C@H]1C[C@@H]1C1CCC1)N1CCC12CCC2 ZINC000170020967 361377465 /nfs/dbraw/zinc/37/74/65/361377465.db2.gz IHUMYFAKSPOQLI-NEPJUHHUSA-N 0 0 219.328 2.578 50 0 BFAARN O=C(CCc1cccs1)Nc1ccncc1 ZINC000017585375 363838798 /nfs/dbraw/zinc/83/87/98/363838798.db2.gz HYMIKROFODIBDI-UHFFFAOYSA-N 0 0 232.308 2.714 50 0 BFAARN CCN(Cc1cncn1C)c1ccccc1C ZINC000170656124 363935675 /nfs/dbraw/zinc/93/56/75/363935675.db2.gz LGXQVHWQAYANHM-UHFFFAOYSA-N 0 0 229.327 2.755 50 0 BFAARN O=C(CCC(F)(F)F)Cc1cccnc1 ZINC000070915195 541310325 /nfs/dbraw/zinc/31/03/25/541310325.db2.gz BYOCEIXRJPKGOC-UHFFFAOYSA-N 0 0 217.190 2.536 50 0 BFAARN Cc1ccc(O)c(C(=O)NCc2ccccc2)c1 ZINC000007608873 363927085 /nfs/dbraw/zinc/92/70/85/363927085.db2.gz QFUVKFBKEKSETN-UHFFFAOYSA-N 0 0 241.290 2.631 50 0 BFAARN Cc1cc(C)n(Cc2ccc(Cl)cn2)n1 ZINC000097148439 541325233 /nfs/dbraw/zinc/32/52/33/541325233.db2.gz ILCJPOZKEJBRMQ-UHFFFAOYSA-N 0 0 221.691 2.597 50 0 BFAARN N#CC(=NNc1cccc(Cl)c1)C(=O)C1CC1 ZINC000252604881 363989852 /nfs/dbraw/zinc/98/98/52/363989852.db2.gz GEVRJNRUOLJINQ-UHFFFAOYSA-N 0 0 247.685 2.611 50 0 BFAARN O=Cc1cncc(-c2ccnc(C(F)F)c2)c1 ZINC000725273487 541340305 /nfs/dbraw/zinc/34/03/05/541340305.db2.gz GUQXOFATUHZBPC-UHFFFAOYSA-N 0 0 234.205 2.894 50 0 BFAARN C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccc(F)cc1 ZINC000012913571 541486695 /nfs/dbraw/zinc/48/66/95/541486695.db2.gz UGNNRFZFLLHTDD-HOTUBEGUSA-N 0 0 221.275 2.659 50 0 BFAARN C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1cccc(F)c1 ZINC000012905669 541486783 /nfs/dbraw/zinc/48/67/83/541486783.db2.gz YCVOXSYSUKLHSK-AUTRQRHGSA-N 0 0 221.275 2.659 50 0 BFAARN Cc1cc(=O)oc(C)c1C(=O)Nc1ccccc1 ZINC000032841215 541501718 /nfs/dbraw/zinc/50/17/18/541501718.db2.gz GCGOEIALGCIXAB-UHFFFAOYSA-N 0 0 243.262 2.509 50 0 BFAARN Cc1ccc2c(c1)S[C@H](C(=O)N1CCCC1)C2 ZINC000032876654 541501786 /nfs/dbraw/zinc/50/17/86/541501786.db2.gz OEGWJBPHCJBZQR-ZDUSSCGKSA-N 0 0 247.363 2.634 50 0 BFAARN Cc1ccc(CN(C)C(=O)c2ccc[nH]2)c(C)c1 ZINC000032819113 541502616 /nfs/dbraw/zinc/50/26/16/541502616.db2.gz NAANRTAUYUGFCP-UHFFFAOYSA-N 0 0 242.322 2.904 50 0 BFAARN CCOc1ncccc1NC(=O)c1ccsc1 ZINC000027514745 368144314 /nfs/dbraw/zinc/14/43/14/368144314.db2.gz MNEOEGDLFUZKOZ-UHFFFAOYSA-N 0 0 248.307 2.794 50 0 BFAARN CCCCSc1nnc2nc(C)cc(C)n21 ZINC000002277016 368302327 /nfs/dbraw/zinc/30/23/27/368302327.db2.gz YDPNJOYYEXTLMR-UHFFFAOYSA-N 0 0 236.344 2.633 50 0 BFAARN Nc1ncc(Br)c(Cl)c1Cl ZINC000143520436 368347928 /nfs/dbraw/zinc/34/79/28/368347928.db2.gz BBYPUQDFQKZHNW-UHFFFAOYSA-N 0 0 241.903 2.733 50 0 BFAARN COc1c(Cl)nc(SC)nc1Cl ZINC000034426488 368374625 /nfs/dbraw/zinc/37/46/25/368374625.db2.gz OARJVJCNEZWMCZ-UHFFFAOYSA-N 0 0 225.100 2.514 50 0 BFAARN CNC(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000084741003 368381161 /nfs/dbraw/zinc/38/11/61/368381161.db2.gz GENVKFRPLIWMLA-UHFFFAOYSA-N 0 0 225.719 2.655 50 0 BFAARN COc1ccc([N+](=O)[O-])c(Cl)c1C ZINC000143937974 368393969 /nfs/dbraw/zinc/39/39/69/368393969.db2.gz UGKVSGRVEAUYKD-UHFFFAOYSA-N 0 0 201.609 2.565 50 0 BFAARN Cc1cc(C)n([C@@H](C)c2nc(C(C)(C)C)no2)n1 ZINC000065461515 368622562 /nfs/dbraw/zinc/62/25/62/368622562.db2.gz VZBXNZGNVYVFSK-JTQLQIEISA-N 0 0 248.330 2.790 50 0 BFAARN OCc1ccc(OCC2CC2)cc1Cl ZINC000116050052 369018487 /nfs/dbraw/zinc/01/84/87/369018487.db2.gz BJLNOXKLMCHQBM-UHFFFAOYSA-N 0 0 212.676 2.621 50 0 BFAARN CC1(n2cnc3cccc(Cl)c3c2=O)CCC1 ZINC000584897912 369044746 /nfs/dbraw/zinc/04/47/46/369044746.db2.gz VFIMNFMUAQCOSM-UHFFFAOYSA-N 0 0 248.713 2.949 50 0 BFAARN CN(C)c1ccc(Br)c(F)c1F ZINC000230543646 369448374 /nfs/dbraw/zinc/44/83/74/369448374.db2.gz NANHVPNFQOXUMI-UHFFFAOYSA-N 0 0 236.059 2.793 50 0 BFAARN C[C@@H](OC(=O)c1ccoc1)c1nccs1 ZINC000078975967 371161913 /nfs/dbraw/zinc/16/19/13/371161913.db2.gz HWNZIQIXBDLZPB-SSDOTTSWSA-N 0 0 223.253 2.654 50 0 BFAARN Cc1cc(C)cc(NC[C@H](O)COC(C)C)c1 ZINC000037880746 371186272 /nfs/dbraw/zinc/18/62/72/371186272.db2.gz BKZQJQSDSPGDHA-AWEZNQCLSA-N 0 0 237.343 2.501 50 0 BFAARN C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccccn1 ZINC000079213013 371186664 /nfs/dbraw/zinc/18/66/64/371186664.db2.gz HBTQPSFSJDWGOJ-QWRGUYRKSA-N 0 0 247.342 2.583 50 0 BFAARN CC(=O)c1c(F)cccc1N1CC[C@](C)(F)C1 ZINC000390834647 371240650 /nfs/dbraw/zinc/24/06/50/371240650.db2.gz KQCHMNGNVZYJCX-ZDUSSCGKSA-N 0 0 239.265 2.967 50 0 BFAARN Cc1c(NC[C@H](C)c2ccccc2)cnn1C ZINC000020351707 371268463 /nfs/dbraw/zinc/26/84/63/371268463.db2.gz CBBBZXFQVWMRFU-NSHDSACASA-N 0 0 229.327 2.944 50 0 BFAARN CCCCN(CC)c1cncc(Cl)n1 ZINC000054917720 168804121 /nfs/dbraw/zinc/80/41/21/168804121.db2.gz XQQFURHZIZPMDP-UHFFFAOYSA-N 0 0 213.712 2.756 50 0 BFAARN COc1ccc(C(F)(F)F)cc1CC(C)=O ZINC000095629680 371308972 /nfs/dbraw/zinc/30/89/72/371308972.db2.gz FZPGAUWOPLHLOS-UHFFFAOYSA-N 0 0 232.201 2.846 50 0 BFAARN CCN(Cc1ccncc1)c1cccc(CO)c1 ZINC000095972533 371368218 /nfs/dbraw/zinc/36/82/18/371368218.db2.gz SSWYYEBKFKKPMS-UHFFFAOYSA-N 0 0 242.322 2.600 50 0 BFAARN Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000000091115 181680184 /nfs/dbraw/zinc/68/01/84/181680184.db2.gz HPDFKXPVMXSXGE-UHFFFAOYSA-N 0 0 230.233 2.888 50 0 BFAARN Nc1cc(NC(=O)c2ccco2)ccc1Cl ZINC000019736453 181689687 /nfs/dbraw/zinc/68/96/87/181689687.db2.gz GIEYDJPZTRKYKU-UHFFFAOYSA-N 0 0 236.658 2.768 50 0 BFAARN CCCCN(CCCC)c1ncnc2nc[nH]c21 ZINC000013518595 168809161 /nfs/dbraw/zinc/80/91/61/168809161.db2.gz LZSBOVSYRLCELU-UHFFFAOYSA-N 0 0 247.346 2.760 50 0 BFAARN CCc1cc(C(=O)N(C)Cc2ccccc2)no1 ZINC000021365940 371405297 /nfs/dbraw/zinc/40/52/97/371405297.db2.gz RUWAHTZXMJWJEG-UHFFFAOYSA-N 0 0 244.294 2.509 50 0 BFAARN Nc1ccc(F)cc1C(=O)Cc1ccccc1 ZINC000001304637 181712072 /nfs/dbraw/zinc/71/20/72/181712072.db2.gz YPYITVHBZLLQRZ-UHFFFAOYSA-N 0 0 229.254 2.833 50 0 BFAARN Nc1cccc(Nc2ncnc3ccccc32)c1 ZINC000000064952 181747636 /nfs/dbraw/zinc/74/76/36/181747636.db2.gz VABQVFUQOPCNBG-UHFFFAOYSA-N 0 0 236.278 2.956 50 0 BFAARN Nc1cccc(NC(=O)N2CCCCCC2)c1 ZINC000021010784 181745935 /nfs/dbraw/zinc/74/59/35/181745935.db2.gz QDSNBYNPBMEGQW-UHFFFAOYSA-N 0 0 233.315 2.677 50 0 BFAARN Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC000019869091 181723255 /nfs/dbraw/zinc/72/32/55/181723255.db2.gz GJYQBDCLIHYVSB-UHFFFAOYSA-N 0 0 204.204 2.595 50 0 BFAARN Nc1cccnc1Nc1ccccc1F ZINC000020317516 181759232 /nfs/dbraw/zinc/75/92/32/181759232.db2.gz QEEOCBCSADXRDE-UHFFFAOYSA-N 0 0 203.220 2.547 50 0 BFAARN CC(C)CN(C(=O)/C=C\c1ccncc1)C1CC1 ZINC000096457168 371496856 /nfs/dbraw/zinc/49/68/56/371496856.db2.gz IJTNCNNLROHKJO-UTCJRWHESA-N 0 0 244.338 2.742 50 0 BFAARN Nc1nc(-c2ccco2)[nH]c1-c1ccccc1 ZINC000033435920 181777793 /nfs/dbraw/zinc/77/77/93/181777793.db2.gz GXCPXDUFQRRASX-UHFFFAOYSA-N 0 0 225.251 2.919 50 0 BFAARN Fc1ccc(-c2ccnc3ccnn32)cc1 ZINC000002787694 371660529 /nfs/dbraw/zinc/66/05/29/371660529.db2.gz AVGCEMDXHKWPEL-UHFFFAOYSA-N 0 0 213.215 2.535 50 0 BFAARN Nc1nc2ccc3c(c2s1)CCCC3 ZINC000000126090 181792923 /nfs/dbraw/zinc/79/29/23/181792923.db2.gz LUWYQPLQBLHOBX-UHFFFAOYSA-N 0 0 204.298 2.757 50 0 BFAARN Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000000081539 181798183 /nfs/dbraw/zinc/79/81/83/181798183.db2.gz KMPMCIAXAISHFL-UHFFFAOYSA-N 0 0 224.716 2.970 50 0 BFAARN Nc1nc2cc(Br)cc(Cl)c2o1 ZINC000052066071 181791619 /nfs/dbraw/zinc/79/16/19/181791619.db2.gz WKSJMJXQUPOKLW-UHFFFAOYSA-N 0 0 247.479 2.826 50 0 BFAARN CCCCN(Cc1ccccc1)C(=O)N(C)C ZINC000006661685 168820122 /nfs/dbraw/zinc/82/01/22/168820122.db2.gz NXDYSOBNMRUFNF-UHFFFAOYSA-N 0 0 234.343 2.970 50 0 BFAARN CC[C@@H]1CCCCN1CC(=O)c1ccco1 ZINC000003306539 371949375 /nfs/dbraw/zinc/94/93/75/371949375.db2.gz ASOMUWUGRDAENK-LLVKDONJSA-N 0 0 221.300 2.727 50 0 BFAARN O=C(/C=C/c1ccccc1)Nc1ccncc1 ZINC000000285603 181840653 /nfs/dbraw/zinc/84/06/53/181840653.db2.gz DGOCCFYFFJOZQM-VOTSOKGWSA-N 0 0 224.263 2.734 50 0 BFAARN Cc1noc(C)c1CN1CCc2ccccc21 ZINC000058875100 372108012 /nfs/dbraw/zinc/10/80/12/372108012.db2.gz BRPIUCWCFVDFRS-UHFFFAOYSA-N 0 0 228.295 2.854 50 0 BFAARN Clc1cccc(Nc2ncnc3n[nH]cc32)c1 ZINC000031807350 372110187 /nfs/dbraw/zinc/11/01/87/372110187.db2.gz JETSWOCRRFLFKV-UHFFFAOYSA-N 0 0 245.673 2.750 50 0 BFAARN CCOc1c[nH]c(-c2ccc(F)cc2)n1 ZINC000032117056 372149669 /nfs/dbraw/zinc/14/96/69/372149669.db2.gz GZNLZBCTDSQTKR-UHFFFAOYSA-N 0 0 206.220 2.615 50 0 BFAARN CC1CCC(NC(=O)c2cncc(F)c2)CC1 ZINC000164277843 372127371 /nfs/dbraw/zinc/12/73/71/372127371.db2.gz LWYNFGJOUMPLDB-UHFFFAOYSA-N 0 0 236.290 2.529 50 0 BFAARN CC(C)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000004256856 372186040 /nfs/dbraw/zinc/18/60/40/372186040.db2.gz GWCDPLRUJBSOTG-MRVPVSSYSA-N 0 0 238.356 2.862 50 0 BFAARN O=C(c1ccncc1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008428386 372712542 /nfs/dbraw/zinc/71/25/42/372712542.db2.gz OIVIFBSWWZLRPS-GXTWGEPZSA-N 0 0 244.338 2.734 50 0 BFAARN O=C(c1ccncc1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000008428387 372712620 /nfs/dbraw/zinc/71/26/20/372712620.db2.gz OIVIFBSWWZLRPS-TZMCWYRMSA-N 0 0 244.338 2.734 50 0 BFAARN O=C(COc1ccccc1)NC1CCCCC1 ZINC000000357470 182003049 /nfs/dbraw/zinc/00/30/49/182003049.db2.gz CQWWLWGATIFQLU-UHFFFAOYSA-N 0 0 233.311 2.514 50 0 BFAARN O=C(COc1ccccc1)Nc1ccccc1F ZINC000000299548 182003109 /nfs/dbraw/zinc/00/31/09/182003109.db2.gz BKJSJTRIBAMHLP-UHFFFAOYSA-N 0 0 245.253 2.843 50 0 BFAARN CC(C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000008766465 372891310 /nfs/dbraw/zinc/89/13/10/372891310.db2.gz JYSKKIIGUQYYFA-UHFFFAOYSA-N 0 0 241.360 2.820 50 0 BFAARN O=C(CSCc1cccs1)NCC1CC1 ZINC000036392134 182009886 /nfs/dbraw/zinc/00/98/86/182009886.db2.gz NRVBONXTGVLRKU-UHFFFAOYSA-N 0 0 241.381 2.508 50 0 BFAARN O=C(CSc1cccs1)N1CCCCC1 ZINC000040510956 182010970 /nfs/dbraw/zinc/01/09/70/182010970.db2.gz NLFQEZHXLQDNQJ-UHFFFAOYSA-N 0 0 241.381 2.853 50 0 BFAARN O=C(C[C@@H]1C=CCC1)N1CCc2ccccc21 ZINC000032738578 182012147 /nfs/dbraw/zinc/01/21/47/182012147.db2.gz QWYAAWLCRYDTQI-GFCCVEGCSA-N 0 0 227.307 2.932 50 0 BFAARN O=C(C[C@@H]1C=CCC1)Nc1nnc(C2CC2)s1 ZINC000022738564 182015500 /nfs/dbraw/zinc/01/55/00/182015500.db2.gz ICXQXGYIUSTEOG-MRVPVSSYSA-N 0 0 249.339 2.710 50 0 BFAARN O=C(C[C@H]1C=CCC1)Nc1ccc2c(c1)CCO2 ZINC000027127480 182024475 /nfs/dbraw/zinc/02/44/75/182024475.db2.gz UOBMCIPNJMZPAW-NSHDSACASA-N 0 0 243.306 2.916 50 0 BFAARN O=C(C[C@H]1C=CCC1)NCCc1ccc(F)cc1 ZINC000036392858 182025208 /nfs/dbraw/zinc/02/52/08/182025208.db2.gz USBJETGFOXKBRY-ZDUSSCGKSA-N 0 0 247.313 2.841 50 0 BFAARN O=C(C[C@H]1C=CCC1)NC1CCCCC1 ZINC000032747694 182025282 /nfs/dbraw/zinc/02/52/82/182025282.db2.gz OCPOQHORHNZXEZ-NSHDSACASA-N 0 0 207.317 2.792 50 0 BFAARN O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccco1 ZINC000002445008 182023488 /nfs/dbraw/zinc/02/34/88/182023488.db2.gz QSZOMNJRXBXAMM-ZDUSSCGKSA-N 0 0 242.230 2.764 50 0 BFAARN O=C(Cc1ccc(Cl)cc1)NCc1ccco1 ZINC000000227867 182034688 /nfs/dbraw/zinc/03/46/88/182034688.db2.gz SBNTYLLHTPXEQK-UHFFFAOYSA-N 0 0 249.697 2.792 50 0 BFAARN O=C(Cc1ccc2ccccc2c1)NCC1CC1 ZINC000012552411 182038672 /nfs/dbraw/zinc/03/86/72/182038672.db2.gz MDITYNVHBVVDOW-UHFFFAOYSA-N 0 0 239.318 2.909 50 0 BFAARN O=C(Cc1ccccc1Cl)Nc1ccccn1 ZINC000001055488 182045260 /nfs/dbraw/zinc/04/52/60/182045260.db2.gz ZHLDGSLIIXINPG-UHFFFAOYSA-N 0 0 246.697 2.916 50 0 BFAARN O=C(Cc1nc2ccccc2[nH]1)c1ccccc1 ZINC000011535713 182061400 /nfs/dbraw/zinc/06/14/00/182061400.db2.gz DROIEDFLBXSKRS-UHFFFAOYSA-N 0 0 236.274 2.988 50 0 BFAARN O=C(Cc1ncc[nH]1)c1ccc(Cl)cc1F ZINC000036946633 182061498 /nfs/dbraw/zinc/06/14/98/182061498.db2.gz RITCAVWUWNDCGV-UHFFFAOYSA-N 0 0 238.649 2.628 50 0 BFAARN O=C(Cc1ccsc1)NC1CCCCC1 ZINC000012975384 182057433 /nfs/dbraw/zinc/05/74/33/182057433.db2.gz ANNRIYPGCWDFTD-UHFFFAOYSA-N 0 0 223.341 2.740 50 0 BFAARN O=C(Cc1ccsc1)Nc1ccccc1O ZINC000012877542 182059391 /nfs/dbraw/zinc/05/93/91/182059391.db2.gz KGXVVEUWXTVKCR-UHFFFAOYSA-N 0 0 233.292 2.635 50 0 BFAARN O=C(Cc1ccsc1)NCc1ccccc1 ZINC000015634444 182059445 /nfs/dbraw/zinc/05/94/45/182059445.db2.gz NMNBESSGLSFNEL-UHFFFAOYSA-N 0 0 231.320 2.607 50 0 BFAARN CC(C)(C)NC(=O)CCOc1cccc(F)c1 ZINC000040069512 373099791 /nfs/dbraw/zinc/09/97/91/373099791.db2.gz OOMKVEANQICCGQ-UHFFFAOYSA-N 0 0 239.290 2.509 50 0 BFAARN O=C(n1ccnc1)N1CCC[C@@H]1C1CCCCC1 ZINC000065516089 182080861 /nfs/dbraw/zinc/08/08/61/182080861.db2.gz VVFFMGVPENPVIJ-CYBMUJFWSA-N 0 0 247.342 2.896 50 0 BFAARN C/C=C/C=C/C(=O)N(C)Cc1ccc(OC)cc1 ZINC000040460038 373278511 /nfs/dbraw/zinc/27/85/11/373278511.db2.gz VBHAXRBJBQKJQH-YTXTXJHMSA-N 0 0 245.322 2.786 50 0 BFAARN CS[C@H](C)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000245289664 373252924 /nfs/dbraw/zinc/25/29/24/373252924.db2.gz DIEXCLHTYSOWDB-WISYIIOYSA-N 0 0 241.400 2.918 50 0 BFAARN O=C(NC1CC1)c1cc2c(s1)CCCCC2 ZINC000008077162 182100666 /nfs/dbraw/zinc/10/06/66/182100666.db2.gz AEYUMMSYYOFOQO-UHFFFAOYSA-N 0 0 235.352 2.909 50 0 BFAARN O=C(NC1CC1)N1CCC[C@]2(CC=CCC2)C1 ZINC000079349183 182095709 /nfs/dbraw/zinc/09/57/09/182095709.db2.gz VCCJCRRYDROCDU-CQSZACIVSA-N 0 0 234.343 2.681 50 0 BFAARN O=C(N[C@@H](c1ccc(F)cc1)C1CC1)NC1CC1 ZINC000089782806 182097089 /nfs/dbraw/zinc/09/70/89/182097089.db2.gz GNTHUFORHKLHLX-CYBMUJFWSA-N 0 0 248.301 2.738 50 0 BFAARN O=C(N[C@H](c1ccc(F)cc1)C1CC1)NC1CC1 ZINC000089782808 182097835 /nfs/dbraw/zinc/09/78/35/182097835.db2.gz GNTHUFORHKLHLX-ZDUSSCGKSA-N 0 0 248.301 2.738 50 0 BFAARN CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1C ZINC000040462416 373281122 /nfs/dbraw/zinc/28/11/22/373281122.db2.gz IUBOXIMXFNQZKZ-ZWNOBZJWSA-N 0 0 235.302 2.830 50 0 BFAARN O=C(NC1CC1)c1cc(-c2ccc(F)cc2)c[nH]1 ZINC000042384321 182099704 /nfs/dbraw/zinc/09/97/04/182099704.db2.gz NANLCXDWEZKNPX-UHFFFAOYSA-N 0 0 244.269 2.713 50 0 BFAARN O=C(NCC1(c2ccc(F)cc2)CC1)C1CCC1 ZINC000038591090 182132607 /nfs/dbraw/zinc/13/26/07/182132607.db2.gz SPSSGZPTLQLVNG-UHFFFAOYSA-N 0 0 247.313 2.774 50 0 BFAARN Cc1ccc(NCC(=O)NC(C)C)c(Cl)c1 ZINC000009155021 373484096 /nfs/dbraw/zinc/48/40/96/373484096.db2.gz APOBARJIZNXEGF-UHFFFAOYSA-N 0 0 240.734 2.585 50 0 BFAARN Cc1ccc(F)c(NC(=O)C2CCC2)c1 ZINC000009217249 373579647 /nfs/dbraw/zinc/57/96/47/373579647.db2.gz VXGJPRLFSXXJMV-UHFFFAOYSA-N 0 0 207.248 2.873 50 0 BFAARN O=C(NCCC1=CCCCC1)c1ccoc1 ZINC000036397000 182152504 /nfs/dbraw/zinc/15/25/04/182152504.db2.gz KPWHFYURVSRALQ-UHFFFAOYSA-N 0 0 219.284 2.900 50 0 BFAARN CCCCNC(=O)N[C@@H]1CCc2ccccc21 ZINC000032851140 168852371 /nfs/dbraw/zinc/85/23/71/168852371.db2.gz BQZJCAUBVJAFKT-CYBMUJFWSA-N 0 0 232.327 2.773 50 0 BFAARN O=C(NCCc1ccc(Cl)cc1)C1CCC1 ZINC000032958627 182201543 /nfs/dbraw/zinc/20/15/43/182201543.db2.gz UDGADEMVILCREF-UHFFFAOYSA-N 0 0 237.730 2.799 50 0 BFAARN O=C(NCCc1ccccc1F)c1cccs1 ZINC000012877541 182205034 /nfs/dbraw/zinc/20/50/34/182205034.db2.gz YXBBHKXNJQQTOA-UHFFFAOYSA-N 0 0 249.310 2.860 50 0 BFAARN O=C(NCCc1cccs1)C1CCCCC1 ZINC000001428295 182207081 /nfs/dbraw/zinc/20/70/81/182207081.db2.gz CKMXPYRSXVJBJU-UHFFFAOYSA-N 0 0 237.368 2.987 50 0 BFAARN O=C(NCCc1ccco1)Nc1ccc(F)cc1 ZINC000009609517 182207198 /nfs/dbraw/zinc/20/71/98/182207198.db2.gz SSLPSNNKRZWIBL-UHFFFAOYSA-N 0 0 248.257 2.783 50 0 BFAARN O=C(NCCc1ccsc1)[C@H]1CC=CCC1 ZINC000036392610 182210391 /nfs/dbraw/zinc/21/03/91/182210391.db2.gz UNVMOIRSQRBTFP-LBPRGKRZSA-N 0 0 235.352 2.763 50 0 BFAARN Cc1ccc(Nc2ncnc3n[nH]cc32)cc1F ZINC000041121196 374111547 /nfs/dbraw/zinc/11/15/47/374111547.db2.gz JQNHKIUOPBLPTA-UHFFFAOYSA-N 0 0 243.245 2.544 50 0 BFAARN Nc1cc(F)ccc1-c1n[nH]c(C2CCCC2)n1 ZINC000041161608 374115902 /nfs/dbraw/zinc/11/59/02/374115902.db2.gz HKFTWBPRNRZRNA-UHFFFAOYSA-N 0 0 246.289 2.851 50 0 BFAARN Cc1ccc(CNC(=O)NCc2ccco2)cc1 ZINC000009364647 374104427 /nfs/dbraw/zinc/10/44/27/374104427.db2.gz ALLSHWAXFHYBBD-UHFFFAOYSA-N 0 0 244.294 2.587 50 0 BFAARN CCC[C@H]1c2cccn2CCN1C(=O)NC(C)C ZINC000009528185 374145060 /nfs/dbraw/zinc/14/50/60/374145060.db2.gz ZXPYJFYOWDVFJK-ZDUSSCGKSA-N 0 0 249.358 2.763 50 0 BFAARN O=C(NC[C@H]1CCCc2ccccc21)C1CC1 ZINC000036392413 182243157 /nfs/dbraw/zinc/24/31/57/182243157.db2.gz RUSGJNYDTLQUFU-CYBMUJFWSA-N 0 0 229.323 2.633 50 0 BFAARN C[C@@H](CCc1ccco1)NC(=O)C(C)(C)C ZINC000041975476 374232088 /nfs/dbraw/zinc/23/20/88/374232088.db2.gz IEUPTQOUZDHELO-JTQLQIEISA-N 0 0 223.316 2.763 50 0 BFAARN O=C(NCc1cc2ccccc2o1)N1CCCC1 ZINC000079558850 182248802 /nfs/dbraw/zinc/24/88/02/182248802.db2.gz BEEJHQVTGMOVCS-UHFFFAOYSA-N 0 0 244.294 2.738 50 0 BFAARN O=C(NCc1cc2ccccc2o1)c1ccco1 ZINC000000375562 182249020 /nfs/dbraw/zinc/24/90/20/182249020.db2.gz IHGJXBTXZIYPHT-UHFFFAOYSA-N 0 0 241.246 2.956 50 0 BFAARN O=C(NCc1ccc(F)cc1)C1CCCC1 ZINC000000474078 182250777 /nfs/dbraw/zinc/25/07/77/182250777.db2.gz NJYKLUDTWHLWSJ-UHFFFAOYSA-N 0 0 221.275 2.632 50 0 BFAARN O=C(NCc1cccc(Cl)c1)c1ccccn1 ZINC000008034657 182252433 /nfs/dbraw/zinc/25/24/33/182252433.db2.gz YCQKXHFQFGDCHJ-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN Cc1cccc(-c2noc(CN3CCCC3)n2)c1 ZINC000042121762 374250556 /nfs/dbraw/zinc/25/05/56/374250556.db2.gz AISPTLKJHSUJBU-UHFFFAOYSA-N 0 0 243.310 2.641 50 0 BFAARN O=C(NCc1ccccc1Cl)c1ccco1 ZINC000000037613 182256533 /nfs/dbraw/zinc/25/65/33/182256533.db2.gz RTIYXOTXOFVDJW-UHFFFAOYSA-N 0 0 235.670 2.863 50 0 BFAARN O=C(NCc1ccccc1Cl)c1ccoc1 ZINC000012274753 182257533 /nfs/dbraw/zinc/25/75/33/182257533.db2.gz SNCAGYCPZCECNG-UHFFFAOYSA-N 0 0 235.670 2.863 50 0 BFAARN O=C(NCc1cccnc1)NC1CCCCCC1 ZINC000012546004 182259713 /nfs/dbraw/zinc/25/97/13/182259713.db2.gz BTQHVUFHFAQJAL-UHFFFAOYSA-N 0 0 247.342 2.604 50 0 BFAARN CCCCC[C@@H](C)NC(=O)N1CCCC1 ZINC000071800790 374293552 /nfs/dbraw/zinc/29/35/52/374293552.db2.gz XDEVKNBZNXYESR-LLVKDONJSA-N 0 0 212.337 2.761 50 0 BFAARN CSc1nnc(COc2ccc(C)cc2)o1 ZINC000010475581 374313181 /nfs/dbraw/zinc/31/31/81/374313181.db2.gz YRIUEDICAKPKSS-UHFFFAOYSA-N 0 0 236.296 2.679 50 0 BFAARN Cc1cc(-c2cnc3ccc(F)cn32)ccn1 ZINC000426420502 206048097 /nfs/dbraw/zinc/04/80/97/206048097.db2.gz XONMWJKAYOPSPN-UHFFFAOYSA-N 0 0 227.242 2.844 50 0 BFAARN CCc1nc(-c2ccc([C@@H](C)OC)cc2)nn1C ZINC000426429073 206049769 /nfs/dbraw/zinc/04/97/69/206049769.db2.gz ZHMSCOPWPBGXGH-SNVBAGLBSA-N 0 0 245.326 2.752 50 0 BFAARN CCn1cc(-c2ccc3c(c2)OCO3)c(C)n1 ZINC000426571538 206051541 /nfs/dbraw/zinc/05/15/41/206051541.db2.gz BBIREGQMBWCVOZ-UHFFFAOYSA-N 0 0 230.267 2.607 50 0 BFAARN O=C(N[C@H]1CCCc2occc21)c1ccoc1 ZINC000069436045 182335119 /nfs/dbraw/zinc/33/51/19/182335119.db2.gz JHONZSCLCAKNIN-NSHDSACASA-N 0 0 231.251 2.680 50 0 BFAARN O=C(Nc1cc(F)ccn1)Oc1ccccc1 ZINC000263623478 182350371 /nfs/dbraw/zinc/35/03/71/182350371.db2.gz HTRWSYNHQQMXQB-UHFFFAOYSA-N 0 0 232.214 2.832 50 0 BFAARN O=C(Nc1ccc(=S)[nH]n1)c1cccc(F)c1 ZINC000061966012 182352848 /nfs/dbraw/zinc/35/28/48/182352848.db2.gz AJFOHXNVSACPPH-UHFFFAOYSA-N 0 0 249.270 2.531 50 0 BFAARN O=C(Nc1ccc(Cl)cc1)C(F)(F)F ZINC000000137627 182352960 /nfs/dbraw/zinc/35/29/60/182352960.db2.gz PEFCIPXJRCETGI-UHFFFAOYSA-N 0 0 223.581 2.841 50 0 BFAARN O=C(Nc1ccc(Cl)cn1)c1ccco1 ZINC000000303927 182354241 /nfs/dbraw/zinc/35/42/41/182354241.db2.gz HBXJDEPEUAZTFU-UHFFFAOYSA-N 0 0 222.631 2.580 50 0 BFAARN O=C(Nc1ccc(F)cc1F)N1CCCC1 ZINC000006740973 182357131 /nfs/dbraw/zinc/35/71/31/182357131.db2.gz CPBDOIXLUULXND-UHFFFAOYSA-N 0 0 226.226 2.593 50 0 in-vitro BFAARN O=C(Nc1ccc(F)cc1)Nc1ccccn1 ZINC000000759023 182355143 /nfs/dbraw/zinc/35/51/43/182355143.db2.gz BATFOJVZVVSTFV-UHFFFAOYSA-N 0 0 231.230 2.865 50 0 BFAARN O=C(Nc1ccc(F)cc1)c1cscn1 ZINC000041506724 182356183 /nfs/dbraw/zinc/35/61/83/182356183.db2.gz YQSNRNIHSYQXQA-UHFFFAOYSA-N 0 0 222.244 2.535 50 0 BFAARN O=C(Nc1ccc(F)cc1F)c1ccccn1 ZINC000003455990 182356292 /nfs/dbraw/zinc/35/62/92/182356292.db2.gz VXBQPIRFKUNWLX-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1ccc(F)cc1)[C@H]1CC1(Cl)Cl ZINC000006340590 182356800 /nfs/dbraw/zinc/35/68/00/182356800.db2.gz YODOOKWMHGXGAC-MRVPVSSYSA-N 0 0 248.084 2.958 50 0 BFAARN O=C(Nc1cccc(Cl)c1F)NC1CC1 ZINC000040526671 182368301 /nfs/dbraw/zinc/36/83/01/182368301.db2.gz AUWOVLBPTITJDS-UHFFFAOYSA-N 0 0 228.654 2.763 50 0 BFAARN O=C(Nc1ccc(O)cc1)NC1CCCCC1 ZINC000000409021 182360291 /nfs/dbraw/zinc/36/02/91/182360291.db2.gz RQLAWYIMRBTCHU-UHFFFAOYSA-N 0 0 234.299 2.846 50 0 in-vitro BFAARN O=C(Nc1cccc(Cl)c1)c1ccccn1 ZINC000000362766 182368596 /nfs/dbraw/zinc/36/85/96/182368596.db2.gz SUYUTNCKIOLMAJ-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 in-vitro BFAARN O=C(Nc1cccc(Cl)c1)Nc1ncccn1 ZINC000000369371 182367936 /nfs/dbraw/zinc/36/79/36/182367936.db2.gz LQRAHKARGZOZSN-UHFFFAOYSA-N 0 0 248.673 2.774 50 0 BFAARN O=C(Nc1cccc(Cl)c1)Nc1cnccn1 ZINC000006251137 182367808 /nfs/dbraw/zinc/36/78/08/182367808.db2.gz BEADWGFERYRDNY-UHFFFAOYSA-N 0 0 248.673 2.774 50 0 BFAARN O=C(Nc1ccccc1)Nc1cccnc1 ZINC000000037406 182375929 /nfs/dbraw/zinc/37/59/29/182375929.db2.gz WBKYYDBHEGTTON-UHFFFAOYSA-N 0 0 213.240 2.726 50 0 BFAARN O=C(Nc1ccccc1)c1cc(O)ccc1F ZINC000261494503 182376829 /nfs/dbraw/zinc/37/68/29/182376829.db2.gz ZGZKJJABDLNQMR-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1ccccc1)c1cc(C2CC2)on1 ZINC000041452840 182376868 /nfs/dbraw/zinc/37/68/68/182376868.db2.gz VUZNXGJVEBZHLK-UHFFFAOYSA-N 0 0 228.251 2.804 50 0 BFAARN O=C(Nc1ccccc1)n1cc(Cl)cn1 ZINC000004616800 182377886 /nfs/dbraw/zinc/37/78/86/182377886.db2.gz LOLBOBNEWUKRIT-UHFFFAOYSA-N 0 0 221.647 2.617 50 0 BFAARN O=C(Nc1ccccc1C(F)(F)F)NC1CC1 ZINC000036179053 182378445 /nfs/dbraw/zinc/37/84/45/182378445.db2.gz FAZTYBLASTXLSX-UHFFFAOYSA-N 0 0 244.216 2.989 50 0 BFAARN O=C(Nc1ccccc1C1CC1)C1CC1 ZINC000020028158 182378456 /nfs/dbraw/zinc/37/84/56/182378456.db2.gz RPTWXBMKSIHBMS-UHFFFAOYSA-N 0 0 201.269 2.913 50 0 BFAARN O=C(Nc1ccccc1)c1cccc(O)c1 ZINC000002528073 182378534 /nfs/dbraw/zinc/37/85/34/182378534.db2.gz IFEJZEHNZGEGNM-UHFFFAOYSA-N 0 0 213.236 2.645 50 0 BFAARN O=C(Nc1cccc2[nH]ccc21)c1cccnc1 ZINC000072324668 182371902 /nfs/dbraw/zinc/37/19/02/182371902.db2.gz SWSKOSCQPSUODP-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 biogenic BFAARN O=C(Nc1cccc(O)c1)c1cccc(F)c1 ZINC000000321041 182372527 /nfs/dbraw/zinc/37/25/27/182372527.db2.gz AETSESJFNRQYCO-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1ccsc1)Nc1ncccc1F ZINC000193971337 182390084 /nfs/dbraw/zinc/39/00/84/182390084.db2.gz KIBFGLZYIDGIPX-UHFFFAOYSA-N 0 0 237.259 2.926 50 0 BFAARN O=C(Nc1ccccn1)C1(c2ccccc2)CC1 ZINC000032732263 182380640 /nfs/dbraw/zinc/38/06/40/182380640.db2.gz BCONTTJBORAXJM-UHFFFAOYSA-N 0 0 238.290 2.752 50 0 BFAARN O=C(Nc1ccccn1)N1CCc2ccccc21 ZINC000048348553 182381347 /nfs/dbraw/zinc/38/13/47/182381347.db2.gz QFGGJGPKRXTGFA-UHFFFAOYSA-N 0 0 239.278 2.676 50 0 BFAARN O=C(Nc1cccnc1)c1c(F)cccc1F ZINC000000128509 182383970 /nfs/dbraw/zinc/38/39/70/182383970.db2.gz HVCHIVMOEVVSIV-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1cccnc1)OC1CCCC1 ZINC000000067871 182384175 /nfs/dbraw/zinc/38/41/75/182384175.db2.gz WDNPBNYZABVWBS-UHFFFAOYSA-N 0 0 206.245 2.573 50 0 BFAARN O=C(Nc1cccnc1)c1ccccc1Cl ZINC000000055056 182385313 /nfs/dbraw/zinc/38/53/13/182385313.db2.gz RPTRLIIPLCIWJB-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1ccncc1)C1CCCCC1 ZINC000000409052 182385965 /nfs/dbraw/zinc/38/59/65/182385965.db2.gz ZRCHIRBBTSZVMC-UHFFFAOYSA-N 0 0 204.273 2.600 50 0 BFAARN O=C(Nc1ccncc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000000461488 182386441 /nfs/dbraw/zinc/38/64/41/182386441.db2.gz NOMFGVQIYPJHNJ-UONOGXRCSA-N 0 0 238.290 2.824 50 0 BFAARN O=C(Nc1ccncc1)Nc1ccc(F)cc1 ZINC000015952166 182386602 /nfs/dbraw/zinc/38/66/02/182386602.db2.gz LWSVUFOPFMPAIG-UHFFFAOYSA-N 0 0 231.230 2.865 50 0 BFAARN O=C(Nc1nc(-c2ccc[nH]2)cs1)C1CCC1 ZINC000009466254 182396626 /nfs/dbraw/zinc/39/66/26/182396626.db2.gz RBLJZXFYRKYNDL-UHFFFAOYSA-N 0 0 247.323 2.877 50 0 BFAARN O=C(OCCCC(F)(F)F)C1=COCCC1 ZINC000157579571 182602216 /nfs/dbraw/zinc/60/22/16/182602216.db2.gz KIJGHQVTJPGTCP-UHFFFAOYSA-N 0 0 238.205 2.566 50 0 BFAARN O=C([C@@H]1CC12CCC2)N1CCc2ccccc21 ZINC000000027603 182612531 /nfs/dbraw/zinc/61/25/31/182612531.db2.gz HVVOCGTVQAUZNY-LBPRGKRZSA-N 0 0 227.307 2.766 50 0 BFAARN CCCCOC(=O)c1cccc(NC(=O)CC)c1 ZINC000001807990 168887174 /nfs/dbraw/zinc/88/71/74/168887174.db2.gz YIQWPOXOCDDDCO-UHFFFAOYSA-N 0 0 249.310 2.992 50 0 BFAARN O=C(c1ccc2ncsc2c1)N1CCCCC1 ZINC000004088454 182667658 /nfs/dbraw/zinc/66/76/58/182667658.db2.gz WBTBDUPOTQKPLH-UHFFFAOYSA-N 0 0 246.335 2.922 50 0 BFAARN O=C(c1ccco1)c1coc2ccccc2c1=O ZINC000000187372 182686517 /nfs/dbraw/zinc/68/65/17/182686517.db2.gz IVLWWPLBBZTWPO-UHFFFAOYSA-N 0 0 240.214 2.617 50 0 biogenic BFAARN O=C(c1ccncc1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000008428388 182689706 /nfs/dbraw/zinc/68/97/06/182689706.db2.gz OIVIFBSWWZLRPS-JSGCOSHPSA-N 0 0 244.338 2.734 50 0 BFAARN O=C(c1coc(-c2ccccc2)n1)N1CCCC1 ZINC000098012622 182705234 /nfs/dbraw/zinc/70/52/34/182705234.db2.gz AQENEXMXKMJZJT-UHFFFAOYSA-N 0 0 242.278 2.578 50 0 BFAARN O=C1CCC(O)(c2cccc(Cl)c2)CC1 ZINC000084323117 182723851 /nfs/dbraw/zinc/72/38/51/182723851.db2.gz FXIHJHPNEGAZFD-UHFFFAOYSA-N 0 0 224.687 2.671 50 0 BFAARN O=C1CSC(=O)N1Cc1ccccc1Cl ZINC000004105201 182770951 /nfs/dbraw/zinc/77/09/51/182770951.db2.gz OUPYHMSTAQITND-UHFFFAOYSA-N 0 0 241.699 2.535 50 0 BFAARN O=C1CCc2ccc(Cl)c(Cl)c2N1 ZINC000082163898 182756722 /nfs/dbraw/zinc/75/67/22/182756722.db2.gz SVKCLUNCNNDCLZ-UHFFFAOYSA-N 0 0 216.067 2.878 50 0 BFAARN O=c1c2ccc[nH]c-2cn1CCC1=CCCCC1 ZINC000065503008 182847288 /nfs/dbraw/zinc/84/72/88/182847288.db2.gz SBSNGOJZNYOBBF-UHFFFAOYSA-N 0 0 242.322 2.928 50 0 BFAARN CCOC(=O)c1ccc(SC)c(C)c1O ZINC000000040456 170297926 /nfs/dbraw/zinc/29/79/26/170297926.db2.gz PUORKTZVXSVRKU-UHFFFAOYSA-N 0 0 226.297 2.599 50 0 BFAARN O=C1Nc2ccccc2/C1=C\c1ccco1 ZINC000004693315 182824221 /nfs/dbraw/zinc/82/42/21/182824221.db2.gz PGZGBDVILWVGSF-DHZHZOJOSA-N 0 0 211.220 2.772 50 0 BFAARN O=C1O[C@@H](c2ccccc2)C[C@H]1C(F)(F)F ZINC000004266469 182836809 /nfs/dbraw/zinc/83/68/09/182836809.db2.gz VMFJOFAAYDXZBX-RKDXNWHRSA-N 0 0 230.185 2.853 50 0 BFAARN O=C1O[C@H](c2ccccc2)C[C@H]1C(F)(F)F ZINC000002569739 182837564 /nfs/dbraw/zinc/83/75/64/182837564.db2.gz VMFJOFAAYDXZBX-BDAKNGLRSA-N 0 0 230.185 2.853 50 0 BFAARN O=Cc1c(Cl)nc(Cl)n1-c1ccccc1 ZINC000036379458 182859059 /nfs/dbraw/zinc/85/90/59/182859059.db2.gz PQDZCIGLVYKTPP-UHFFFAOYSA-N 0 0 241.077 2.992 50 0 BFAARN O=Cc1cc2cccc(C(F)(F)F)c2[nH]1 ZINC000016941616 182864805 /nfs/dbraw/zinc/86/48/05/182864805.db2.gz LOKMFTVQOFAWJS-UHFFFAOYSA-N 0 0 213.158 2.999 50 0 BFAARN O=Cc1ccc(-c2ccccc2F)nc1 ZINC000002527558 182865137 /nfs/dbraw/zinc/86/51/37/182865137.db2.gz IUQSIJKUJJSTOO-UHFFFAOYSA-N 0 0 201.200 2.700 50 0 in-vitro BFAARN O=Cc1ccc(C(F)(F)F)c(F)c1F ZINC000002560150 182866864 /nfs/dbraw/zinc/86/68/64/182866864.db2.gz RQXOWNQOFWLPSV-UHFFFAOYSA-N 0 0 210.101 2.796 50 0 BFAARN O=Cc1ccc(COc2ccc(F)cc2F)o1 ZINC000002578422 182867357 /nfs/dbraw/zinc/86/73/57/182867357.db2.gz ACPDVQWJOBDFHZ-UHFFFAOYSA-N 0 0 238.189 2.949 50 0 BFAARN O=Cc1ccc(O)c(OCc2ccccc2)c1 ZINC000073734136 182868887 /nfs/dbraw/zinc/86/88/87/182868887.db2.gz CWMRCRFALIQFHU-UHFFFAOYSA-N 0 0 228.247 2.784 50 0 BFAARN O=c1c2sccc2ncn1[C@@H]1C=CCCC1 ZINC000078715371 182990761 /nfs/dbraw/zinc/99/07/61/182990761.db2.gz JRWODDWNNGXEOW-SECBINFHSA-N 0 0 232.308 2.739 50 0 BFAARN O=c1[nH]c2sccc2c2ccccc12 ZINC000000003266 182976381 /nfs/dbraw/zinc/97/63/81/182976381.db2.gz LQJVOLSLAFIXSV-UHFFFAOYSA-N 0 0 201.250 2.743 50 0 in-vitro BFAARN O=c1[nH]ccc2ccc(C(F)(F)F)cc21 ZINC000033358951 182977403 /nfs/dbraw/zinc/97/74/03/182977403.db2.gz BTXOPRIQIDKOLM-UHFFFAOYSA-N 0 0 213.158 2.547 50 0 BFAARN O=c1cc[nH]c2ccc(C(F)(F)F)cc12 ZINC000000156129 182997954 /nfs/dbraw/zinc/99/79/54/182997954.db2.gz CEIVPELVRVTMJW-UHFFFAOYSA-N 0 0 213.158 2.547 50 0 BFAARN O=c1ccccn1CCOc1ccccc1Cl ZINC000000474217 183002214 /nfs/dbraw/zinc/00/22/14/183002214.db2.gz RTPOVGOQHQTNAD-UHFFFAOYSA-N 0 0 249.697 2.581 50 0 BFAARN O=c1cccccc1NCc1ccccc1 ZINC000000296554 183002239 /nfs/dbraw/zinc/00/22/39/183002239.db2.gz CMJPPEXKEOZMHW-UHFFFAOYSA-N 0 0 211.264 2.659 50 0 biogenic BFAARN O=c1nc(-c2cccs2)cc(C(F)(F)F)[nH]1 ZINC000009472263 183008068 /nfs/dbraw/zinc/00/80/68/183008068.db2.gz ROAZETBLNZFDDH-UHFFFAOYSA-N 0 0 246.213 2.517 50 0 BFAARN O=c1oc(-c2ccccc2F)nc2ccccc21 ZINC000000099966 183011797 /nfs/dbraw/zinc/01/17/97/183011797.db2.gz UHJQEWLULUOONU-UHFFFAOYSA-N 0 0 241.221 2.994 50 0 BFAARN O=C1C[C@H](c2ccccc2)c2c[nH]nc2N1 ZINC000020719783 183026583 /nfs/dbraw/zinc/02/65/83/183026583.db2.gz LCNRMORZSYWTKS-SECBINFHSA-N 0 0 213.240 2.533 50 0 BFAARN OCCCc1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000004301702 183064042 /nfs/dbraw/zinc/06/40/42/183064042.db2.gz LCSHOKGEMMNVDH-UHFFFAOYSA-N 0 0 236.702 2.655 50 0 BFAARN OCCCc1cc(-c2ccc(Cl)cc2)no1 ZINC000095100056 183064723 /nfs/dbraw/zinc/06/47/23/183064723.db2.gz BSYFGNGNUSOUMA-UHFFFAOYSA-N 0 0 237.686 2.920 50 0 BFAARN OCCc1cccc(OCc2ccccc2)c1 ZINC000044379959 183100235 /nfs/dbraw/zinc/10/02/35/183100235.db2.gz RHHVCIKVRLMNFC-UHFFFAOYSA-N 0 0 228.291 2.800 50 0 BFAARN CCCC[C@H]1C=CCN1C(=O)c1ncoc1C ZINC000216252643 169012671 /nfs/dbraw/zinc/01/26/71/169012671.db2.gz JWJMVEWAOSPAEO-NSHDSACASA-N 0 0 234.299 2.554 50 0 BFAARN CCCCc1nncn1-c1cc(C)ccc1OC ZINC000067740495 169029440 /nfs/dbraw/zinc/02/94/40/169029440.db2.gz HSISTWPNNOBHKM-UHFFFAOYSA-N 0 0 245.326 2.927 50 0 BFAARN CCCCn1c2ccccc2nc1NCCOC ZINC000005285335 169035007 /nfs/dbraw/zinc/03/50/07/169035007.db2.gz DZGRAZSEGRPMOB-UHFFFAOYSA-N 0 0 247.342 2.895 50 0 BFAARN CCCCn1cnc2c3ccccc3oc2c1=O ZINC000003007435 169036672 /nfs/dbraw/zinc/03/66/72/169036672.db2.gz ZZZMUKMURDIYLU-UHFFFAOYSA-N 0 0 242.278 2.943 50 0 BFAARN CCCCn1cnc2oc(C)c(C)c2c1=N ZINC000101472603 169036994 /nfs/dbraw/zinc/03/69/94/169036994.db2.gz AHWGQAQOWFJDSM-UHFFFAOYSA-N 0 0 219.288 2.526 50 0 BFAARN OCc1cc(-c2cc3ccccc3o2)on1 ZINC000026421029 183160289 /nfs/dbraw/zinc/16/02/89/183160289.db2.gz JSULBSNOBUKNND-UHFFFAOYSA-N 0 0 215.208 2.580 50 0 BFAARN OCc1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000000469959 183166047 /nfs/dbraw/zinc/16/60/47/183166047.db2.gz PZHJFIJSJBMKBK-UHFFFAOYSA-N 0 0 246.291 2.799 50 0 BFAARN OCc1ccc(OCCC(F)(F)F)cc1 ZINC000070206579 183166492 /nfs/dbraw/zinc/16/64/92/183166492.db2.gz WRMAWYLPPKNIJX-UHFFFAOYSA-N 0 0 220.190 2.510 50 0 BFAARN OCc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000002382250 183166665 /nfs/dbraw/zinc/16/66/65/183166665.db2.gz KPYSDIQXFHKDPU-UHFFFAOYSA-N 0 0 226.581 2.731 50 0 BFAARN O[C@@H]1CCSc2ccc(Cl)cc21 ZINC000000107927 183202604 /nfs/dbraw/zinc/20/26/04/183202604.db2.gz KGOKMXKVFZSSOE-MRVPVSSYSA-N 0 0 200.690 2.869 50 0 BFAARN O[C@@H]1CCc2ccc(C(F)(F)F)cc21 ZINC000095835664 183205895 /nfs/dbraw/zinc/20/58/95/183205895.db2.gz JAICRPHZHDNVQL-SECBINFHSA-N 0 0 202.175 2.685 50 0 BFAARN O[C@@H]1CCCC[C@H]1n1cnc2ccccc21 ZINC000012323770 183192252 /nfs/dbraw/zinc/19/22/52/183192252.db2.gz VUBLCPRAFDAFRO-CHWSQXEVSA-N 0 0 216.284 2.512 50 0 BFAARN O[C@H](c1ccc(C(F)(F)F)nc1)C(F)(F)F ZINC000025336475 183228241 /nfs/dbraw/zinc/22/82/41/183228241.db2.gz HNYGGCHYEXEFKE-ZCFIWIBFSA-N 0 0 245.122 2.696 50 0 BFAARN O[C@H](c1ccccc1Cl)C(F)(F)F ZINC000034381091 183229353 /nfs/dbraw/zinc/22/93/53/183229353.db2.gz HCCWDTPILJKWCQ-SSDOTTSWSA-N 0 0 210.582 2.936 50 0 BFAARN O[C@@H](c1nccn1CC1CCC1)c1ccccc1 ZINC000154869726 183229441 /nfs/dbraw/zinc/22/94/41/183229441.db2.gz JMBARQBTTHCMKN-CQSZACIVSA-N 0 0 242.322 2.765 50 0 BFAARN O[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000000043867 183229775 /nfs/dbraw/zinc/22/97/75/183229775.db2.gz JEAWPIKEEQZLJQ-CYBMUJFWSA-N 0 0 224.263 2.645 50 0 BFAARN O[C@H](c1ccco1)c1nccc2ccccc21 ZINC000000564644 183230459 /nfs/dbraw/zinc/23/04/59/183230459.db2.gz HAOHDEQITLWMIZ-CQSZACIVSA-N 0 0 225.247 2.910 50 0 BFAARN O[C@@H]1O[C@@H](c2ccccc2)c2ccccc21 ZINC000071773899 183213479 /nfs/dbraw/zinc/21/34/79/183213479.db2.gz XAXUZULEMMAVME-UONOGXRCSA-N 0 0 212.248 2.797 50 0 BFAARN O[C@@H]1c2ccccc2[C@@H]2[C@@H]1c1ccccc1[C@H]2O ZINC000247778735 183214814 /nfs/dbraw/zinc/21/48/14/183214814.db2.gz ZHODMXFAYOBKEZ-QKPAOTATSA-N 0 0 238.286 2.648 50 0 BFAARN O[C@H]1CCc2cc(C(F)(F)F)ccc21 ZINC000021300517 183242199 /nfs/dbraw/zinc/24/21/99/183242199.db2.gz FLQUVMBVTFSJRY-VIFPVBQESA-N 0 0 202.175 2.685 50 0 BFAARN O[C@H]1CCC[C@@H]1Nc1ccccc1Cl ZINC000037689903 183237095 /nfs/dbraw/zinc/23/70/95/183237095.db2.gz YXXTYANVBPPGJY-QWRGUYRKSA-N 0 0 211.692 2.665 50 0 BFAARN Oc1ccc(/C=C\c2cc(O)cc(O)c2)cc1 ZINC000012353732 183266477 /nfs/dbraw/zinc/26/64/77/183266477.db2.gz LUKBXSAWLPMMSZ-UPHRSURJSA-N 0 0 228.247 2.974 50 0 endogenous,in-man BFAARN Oc1ccc(Cc2nc3ccccc3[nH]2)cc1 ZINC000000227396 183272027 /nfs/dbraw/zinc/27/20/27/183272027.db2.gz BGTLUMBJNNLMAH-UHFFFAOYSA-N 0 0 224.263 2.859 50 0 BFAARN Oc1cc(Br)ccc1-c1cc[nH]n1 ZINC000044672059 183256973 /nfs/dbraw/zinc/25/69/73/183256973.db2.gz WZIZGAUXNYGZML-UHFFFAOYSA-N 0 0 239.072 2.545 50 0 BFAARN CCCN(CCC)C(=O)c1ccccc1OC ZINC000006043229 169146405 /nfs/dbraw/zinc/14/64/05/169146405.db2.gz IIYYGCIDWZURHI-UHFFFAOYSA-N 0 0 235.327 2.957 50 0 BFAARN Oc1ccc2nc(N3CCCC3)sc2c1 ZINC000026424222 183286170 /nfs/dbraw/zinc/28/61/70/183286170.db2.gz NLAXJTDBIXYYHP-UHFFFAOYSA-N 0 0 220.297 2.602 50 0 BFAARN Oc1cccc(OCc2ccccc2)c1 ZINC000000330715 183293173 /nfs/dbraw/zinc/29/31/73/183293173.db2.gz FOTVZLOJAIEAOY-UHFFFAOYSA-N 0 0 200.237 2.971 50 0 BFAARN Oc1ccccc1-c1nncn1-c1ccccc1 ZINC000001443623 183299320 /nfs/dbraw/zinc/29/93/20/183299320.db2.gz NJLNYQWIKPAGSC-UHFFFAOYSA-N 0 0 237.262 2.640 50 0 BFAARN Oc1ccccc1-c1nc(-c2cccnc2)no1 ZINC000004993407 183300254 /nfs/dbraw/zinc/30/02/54/183300254.db2.gz QBBHZWQUEGMLNU-UHFFFAOYSA-N 0 0 239.234 2.504 50 0 BFAARN S=c1[nH]c(=S)n(-c2ccccc2)[nH]1 ZINC000030836216 183314066 /nfs/dbraw/zinc/31/40/66/183314066.db2.gz OHTWYWBEOQAXEQ-UHFFFAOYSA-N 0 0 209.299 2.592 50 0 BFAARN S=c1[nH]nc2sc3ccccc3n12 ZINC000000160118 183314521 /nfs/dbraw/zinc/31/45/21/183314521.db2.gz QTXZICUYCJDYLP-UHFFFAOYSA-N 0 0 207.283 2.607 50 0 BFAARN S=c1nc(Nc2ccccc2)[nH]c(=S)[nH]1 ZINC000002019480 183315441 /nfs/dbraw/zinc/31/54/41/183315441.db2.gz MLZQBMZXBHDWJM-UHFFFAOYSA-N 0 0 236.325 2.566 50 0 BFAARN CCCN1C(=O)C(C)=C(C)[C@@H]1SCC ZINC000023477837 169183364 /nfs/dbraw/zinc/18/33/64/169183364.db2.gz SIVFYBWSSQDPAH-NSHDSACASA-N 0 0 213.346 2.654 50 0 BFAARN [O-][n+]1ccc(Cl)c2ccc(Cl)cc21 ZINC000001718229 183319233 /nfs/dbraw/zinc/31/92/33/183319233.db2.gz VHGJNAHFEWJQKX-UHFFFAOYSA-N 0 0 214.051 2.780 50 0 BFAARN c1cc(-c2ccc(-c3ccon3)s2)n[nH]1 ZINC000067489630 183329196 /nfs/dbraw/zinc/32/91/96/183329196.db2.gz VDCVGRPBLWLDHZ-UHFFFAOYSA-N 0 0 217.253 2.793 50 0 BFAARN O=c1[nH]nc(-c2ccccc2)cc1C(F)(F)F ZINC000008855844 183309079 /nfs/dbraw/zinc/30/90/79/183309079.db2.gz UHVAXGANCIBPTG-UHFFFAOYSA-N 0 0 240.184 2.868 50 0 BFAARN S=C(Nc1ccccc1)N1CCCCC1 ZINC000000075514 183311073 /nfs/dbraw/zinc/31/10/73/183311073.db2.gz VYTYEDNCIFTZDH-UHFFFAOYSA-N 0 0 220.341 2.869 50 0 BFAARN S=C(NC1CCCCC1)N1CCCCC1 ZINC000000073055 183311358 /nfs/dbraw/zinc/31/13/58/183311358.db2.gz JOYWQNWRWYXSCW-UHFFFAOYSA-N 0 0 226.389 2.680 50 0 BFAARN CCCNC(=O)CSCc1ccccc1C ZINC000004689531 169231575 /nfs/dbraw/zinc/23/15/75/169231575.db2.gz NEPOHSUAMMTYMB-UHFFFAOYSA-N 0 0 237.368 2.754 50 0 BFAARN CCCNC(=O)COc1ccc(Cl)c(C)c1 ZINC000002824468 169231982 /nfs/dbraw/zinc/23/19/82/169231982.db2.gz KLXWWRRTIGCMFJ-UHFFFAOYSA-N 0 0 241.718 2.553 50 0 BFAARN CCCNC(=O)/C=C\c1nc2ccccc2s1 ZINC000096536753 169212151 /nfs/dbraw/zinc/21/21/51/169212151.db2.gz HZFATZGAACUWRS-FPLPWBNLSA-N 0 0 246.335 2.836 50 0 BFAARN c1nncn1-c1ccc(N2CCCCCC2)cc1 ZINC000065502321 183334808 /nfs/dbraw/zinc/33/48/08/183334808.db2.gz FGRWLWLZFFPKTR-UHFFFAOYSA-N 0 0 242.326 2.648 50 0 BFAARN CCCNC(=S)Nc1ccccc1C ZINC000002891772 169255084 /nfs/dbraw/zinc/25/50/84/169255084.db2.gz PRPPMLCPBGIGFP-UHFFFAOYSA-N 0 0 208.330 2.691 50 0 BFAARN CCCNC(=S)Nc1cc(C)cc(C)c1 ZINC000002782172 169255104 /nfs/dbraw/zinc/25/51/04/169255104.db2.gz WORVOUCNQMSQBO-UHFFFAOYSA-N 0 0 222.357 3.000 50 0 BFAARN CCCNC(=O)N1CCn2cccc2[C@@H]1CCC ZINC000009528127 169235555 /nfs/dbraw/zinc/23/55/55/169235555.db2.gz LCNVRADAMADFSC-ZDUSSCGKSA-N 0 0 249.358 2.765 50 0 BFAARN CCCNC(=O)NC1CCC(CC)CC1 ZINC000006742312 169236548 /nfs/dbraw/zinc/23/65/48/169236548.db2.gz KALICOZVPXACQP-UHFFFAOYSA-N 0 0 212.337 2.664 50 0 BFAARN CCCNC(=O)NCc1nc2ccccc2s1 ZINC000048234476 169237213 /nfs/dbraw/zinc/23/72/13/169237213.db2.gz ZBGADSQDMIGSGU-UHFFFAOYSA-N 0 0 249.339 2.506 50 0 BFAARN CCCNC(=O)[C@@H](C)Nc1cccc(C)c1C ZINC000020312720 169242245 /nfs/dbraw/zinc/24/22/45/169242245.db2.gz BBLKIIHEYSEMDG-GFCCVEGCSA-N 0 0 234.343 2.630 50 0 BFAARN CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000014401207 169242309 /nfs/dbraw/zinc/24/23/09/169242309.db2.gz DZHTWZLXWWZRKY-SECBINFHSA-N 0 0 241.718 2.634 50 0 BFAARN CCCNC(=O)[C@@H](CC)c1ccccc1 ZINC000002745676 169243683 /nfs/dbraw/zinc/24/36/83/169243683.db2.gz QOKXKNXYKXZFPD-LBPRGKRZSA-N 0 0 205.301 2.706 50 0 BFAARN c1ccc(-c2ccc(-c3ccccn3)nn2)nc1 ZINC000000041164 183379854 /nfs/dbraw/zinc/37/98/54/183379854.db2.gz KMJAINJBPIBWCL-UHFFFAOYSA-N 0 0 234.262 2.601 50 0 BFAARN c1ccc(-c2ccnc3nc(C4CC4)nn32)cc1 ZINC000096344988 183381137 /nfs/dbraw/zinc/38/11/37/183381137.db2.gz SWRUFIORXBBYGT-UHFFFAOYSA-N 0 0 236.278 2.669 50 0 BFAARN c1ccc(-c2nc(-c3ccccn3)n[nH]2)cc1 ZINC000008048403 183381717 /nfs/dbraw/zinc/38/17/17/183381717.db2.gz FDOSEIDYURVHEG-UHFFFAOYSA-N 0 0 222.251 2.534 50 0 BFAARN CCCNC(=O)[C@H](C)Nc1cc(C)ccc1C ZINC000020312141 169247126 /nfs/dbraw/zinc/24/71/26/169247126.db2.gz MHKRNKBBORPNEE-LBPRGKRZSA-N 0 0 234.343 2.630 50 0 BFAARN c1ccc(-c2nc3[nH]c4ccccc4n3n2)cc1 ZINC000015779197 183383306 /nfs/dbraw/zinc/38/33/06/183383306.db2.gz LVEUZZQSNIHVBU-UHFFFAOYSA-N 0 0 234.262 2.878 50 0 BFAARN c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000000350856 183384995 /nfs/dbraw/zinc/38/49/95/183384995.db2.gz YNCFPURBKVPYQF-UHFFFAOYSA-N 0 0 213.284 2.672 50 0 BFAARN CCCNC(=O)c1cc2ccccc2cc1OC ZINC000014246673 169250299 /nfs/dbraw/zinc/25/02/99/169250299.db2.gz HCUWAQCSPKFABV-UHFFFAOYSA-N 0 0 243.306 2.988 50 0 BFAARN CCCNC(=O)c1ccccc1C(F)(F)F ZINC000005978748 169252598 /nfs/dbraw/zinc/25/25/98/169252598.db2.gz VLLYUSXCJYKKAB-UHFFFAOYSA-N 0 0 231.217 2.845 50 0 BFAARN CCCNC(=O)c1ccc2ccccc2c1 ZINC000006945941 169252906 /nfs/dbraw/zinc/25/29/06/169252906.db2.gz AYDBSODEUKDWOU-UHFFFAOYSA-N 0 0 213.280 2.980 50 0 BFAARN c1ccc(CCc2n[nH]c(C3CCC3)n2)cc1 ZINC000065393875 183395064 /nfs/dbraw/zinc/39/50/64/183395064.db2.gz ABWUAPIVRHEBMW-UHFFFAOYSA-N 0 0 227.311 2.857 50 0 BFAARN CCCOc1c(Cl)cc(O)cc1OC ZINC000261494074 169314073 /nfs/dbraw/zinc/31/40/73/169314073.db2.gz PFWCRPKVMGPOCO-UHFFFAOYSA-N 0 0 216.664 2.843 50 0 BFAARN CCCOc1c(Cl)ccc(O)c1F ZINC000261494129 169314164 /nfs/dbraw/zinc/31/41/64/169314164.db2.gz QOHVEHVBXPHEKL-UHFFFAOYSA-N 0 0 204.628 2.974 50 0 BFAARN CCCNc1cc(Cl)nc(SC)n1 ZINC000015021631 169294242 /nfs/dbraw/zinc/29/42/42/169294242.db2.gz HAKZYDKVDFZKHU-UHFFFAOYSA-N 0 0 217.725 2.674 50 0 BFAARN CCCNc1cc(F)c(Br)cc1N ZINC000085105369 169294244 /nfs/dbraw/zinc/29/42/44/169294244.db2.gz SQTCKJRXOBMJSZ-UHFFFAOYSA-N 0 0 247.111 2.992 50 0 BFAARN CCCNc1nc(-c2cccc(OC)c2)no1 ZINC000021922446 169295409 /nfs/dbraw/zinc/29/54/09/169295409.db2.gz UJBQDTZJZUNLKC-UHFFFAOYSA-N 0 0 233.271 2.567 50 0 BFAARN CCCSc1nc(Cl)c(N)c(Cl)n1 ZINC000071186810 169342060 /nfs/dbraw/zinc/34/20/60/169342060.db2.gz CJJLJBFJNXMANZ-UHFFFAOYSA-N 0 0 238.143 2.868 50 0 BFAARN CCCSc1nnc2[nH]c3ccccc3n21 ZINC000006503681 169342195 /nfs/dbraw/zinc/34/21/95/169342195.db2.gz OEJBBWXWROEIEQ-UHFFFAOYSA-N 0 0 232.312 2.713 50 0 BFAARN CCC[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000047651865 169342659 /nfs/dbraw/zinc/34/26/59/169342659.db2.gz NYRQSGPYTNPIPM-GFCCVEGCSA-N 0 0 205.301 2.659 50 0 BFAARN c1csc(CNc2nc3ccccc3o2)n1 ZINC000040444454 183461493 /nfs/dbraw/zinc/46/14/93/183461493.db2.gz VUXHQDOPMXOZPG-UHFFFAOYSA-N 0 0 231.280 2.896 50 0 BFAARN CCCOc1ccc2c(C)cc(=O)oc2c1 ZINC000001927096 169323392 /nfs/dbraw/zinc/32/33/92/169323392.db2.gz DUPADYVFPSZVPH-UHFFFAOYSA-N 0 0 218.252 2.890 50 0 biogenic BFAARN CCCOc1cccc(Br)n1 ZINC000016677917 169324528 /nfs/dbraw/zinc/32/45/28/169324528.db2.gz JROFSFBGPCHTHB-UHFFFAOYSA-N 0 0 216.078 2.633 50 0 BFAARN CCCOc1cccc2[nH]c(C(=O)OC)cc21 ZINC000004235029 169326249 /nfs/dbraw/zinc/32/62/49/169326249.db2.gz CZSTZWSPLKZBBH-UHFFFAOYSA-N 0 0 233.267 2.743 50 0 BFAARN CCCOc1nc(C)c(C(=O)OC)cc1Cl ZINC000242302344 169328289 /nfs/dbraw/zinc/32/82/89/169328289.db2.gz YROIRPXMUUNBIJ-UHFFFAOYSA-N 0 0 243.690 2.619 50 0 BFAARN CCC[C@@H](C)NC(=O)Cc1ccc(C)cc1 ZINC000004681088 169367187 /nfs/dbraw/zinc/36/71/87/169367187.db2.gz XOEAMEPFUZSQFQ-GFCCVEGCSA-N 0 0 219.328 2.842 50 0 BFAARN CCC[C@@H](C)NC(=O)c1ccc(F)cc1 ZINC000000441755 169368555 /nfs/dbraw/zinc/36/85/55/169368555.db2.gz OUFYAVNREBEKGV-SECBINFHSA-N 0 0 209.264 2.744 50 0 BFAARN CCC[C@@H](C)C(=O)Nc1cc(C)ccn1 ZINC000000030568 169352827 /nfs/dbraw/zinc/35/28/27/169352827.db2.gz JFEFOZMFWWXJFG-SNVBAGLBSA-N 0 0 206.289 2.765 50 0 BFAARN CCC[C@@H](C)C(=O)Nc1ccccc1C(=O)OC ZINC000000030887 169352830 /nfs/dbraw/zinc/35/28/30/169352830.db2.gz QIPAFWSZZFDUKG-SNVBAGLBSA-N 0 0 249.310 2.848 50 0 BFAARN c1ccc2c(c1)ncnc2NCc1cccnc1 ZINC000000120298 183494226 /nfs/dbraw/zinc/49/42/26/183494226.db2.gz VJINDJJSROPYGY-UHFFFAOYSA-N 0 0 236.278 2.637 50 0 BFAARN CCC[C@@H](C)c1cc(NC(=O)C2CC2)n[nH]1 ZINC000078942435 169374663 /nfs/dbraw/zinc/37/46/63/169374663.db2.gz AFDSKKMDIFNFGN-MRVPVSSYSA-N 0 0 221.304 2.662 50 0 BFAARN CCN(CC)C(=O)N1CCCc2ccccc21 ZINC000004731583 535450596 /nfs/dbraw/zinc/45/05/96/535450596.db2.gz RHMBZLSSNCYDJI-UHFFFAOYSA-N 0 0 232.327 2.901 50 0 BFAARN CCC[C@@H](NC(=O)c1ccn[nH]1)c1ccccc1 ZINC000036393866 169396601 /nfs/dbraw/zinc/39/66/01/169396601.db2.gz XSPZOTRUNZFIQK-GFCCVEGCSA-N 0 0 243.310 2.681 50 0 BFAARN c1csc(-c2noc(C[C@H]3CCCO3)n2)c1 ZINC000089800076 183515645 /nfs/dbraw/zinc/51/56/45/183515645.db2.gz WTBQNBIEUWIYFF-MRVPVSSYSA-N 0 0 236.296 2.520 50 0 BFAARN CC(C)(C)OC(=O)N[C@@H]1CCC(F)(F)C1 ZINC000095933008 166666102 /nfs/dbraw/zinc/66/61/02/166666102.db2.gz SCXQXMBCRMLPGO-SSDOTTSWSA-N 0 0 221.247 2.699 50 0 BFAARN CCCc1nc2c(o1)c1ccccc1[nH]c2=O ZINC000008578619 169592865 /nfs/dbraw/zinc/59/28/65/169592865.db2.gz WHTFZCDVWWLIFK-UHFFFAOYSA-N 0 0 228.251 2.622 50 0 biogenic BFAARN CCCn1nccc1NC(=O)[C@@H]1CC=CCC1 ZINC000031770747 169625919 /nfs/dbraw/zinc/62/59/19/169625919.db2.gz YAAKWRRNXVQBLB-LLVKDONJSA-N 0 0 233.315 2.588 50 0 BFAARN CCN(CC)c1nc2ccccc2c(=O)s1 ZINC000000074685 383823496 /nfs/dbraw/zinc/82/34/96/383823496.db2.gz YGDNRKWOGJHHIV-UHFFFAOYSA-N 0 0 234.324 2.503 50 0 BFAARN CC1(C)C(=O)O[C@@H](c2ccccc2)C(C)(C)C1=O ZINC000000085921 383823707 /nfs/dbraw/zinc/82/37/07/383823707.db2.gz ZQVPXIQBPCOQJJ-NSHDSACASA-N 0 0 246.306 2.906 50 0 BFAARN c1nc(-c2nc3ccccc3[nH]2)cs1 ZINC000000073711 383823808 /nfs/dbraw/zinc/82/38/08/383823808.db2.gz WJCNZQLZVWNLKY-UHFFFAOYSA-N 0 0 201.254 2.686 50 0 endogenous,world BFAARN C[C@@H]1Cn2c(nnc2-c2cccs2)S1 ZINC000000105859 383826401 /nfs/dbraw/zinc/82/64/01/383826401.db2.gz RTOPSXMJURBQPL-ZCFIWIBFSA-N 0 0 223.326 2.501 50 0 BFAARN Cc1ccc(OC(=O)c2cccnc2)cc1 ZINC000000154697 383836540 /nfs/dbraw/zinc/83/65/40/383836540.db2.gz YBUBSLHHVFYHMV-UHFFFAOYSA-N 0 0 213.236 2.609 50 0 BFAARN Cc1nc(-c2ccc(CO)s2)cs1 ZINC000000158869 383836853 /nfs/dbraw/zinc/83/68/53/383836853.db2.gz CQCKNGVVCKWDLF-UHFFFAOYSA-N 0 0 211.311 2.672 50 0 BFAARN O=C1c2cccc3cccc(c23)[C@]12OCCS2 ZINC000000164478 383837833 /nfs/dbraw/zinc/83/78/33/383837833.db2.gz SNNYRKDSKXLDAI-CQSZACIVSA-N 0 0 242.299 2.952 50 0 BFAARN O=C1c2cccc3cccc(c23)[C@@]12OCCS2 ZINC000000164475 383839569 /nfs/dbraw/zinc/83/95/69/383839569.db2.gz SNNYRKDSKXLDAI-AWEZNQCLSA-N 0 0 242.299 2.952 50 0 BFAARN Nc1cc(Cl)cc(Br)c1F ZINC000066054998 383844220 /nfs/dbraw/zinc/84/42/20/383844220.db2.gz CSHMFIIPOVGVDN-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN Cc1cccc(NC(=O)c2ccc(N)cc2)c1 ZINC000000225980 383844560 /nfs/dbraw/zinc/84/45/60/383844560.db2.gz QLOYXVNYOLDJJS-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN O=C(/C=C/c1ccccc1)N1CCCCC1 ZINC000000238700 383845564 /nfs/dbraw/zinc/84/55/64/383845564.db2.gz KNOXUMZPTHELAO-MDZDMXLPSA-N 0 0 215.296 2.712 50 0 BFAARN O=Cc1nc2ccccc2n1Cc1ccccc1 ZINC000000308157 383853688 /nfs/dbraw/zinc/85/36/88/383853688.db2.gz FLSACHQTKKDWED-UHFFFAOYSA-N 0 0 236.274 2.897 50 0 BFAARN O=C(CC1CCCCC1)NCc1ccccn1 ZINC000000316730 383854294 /nfs/dbraw/zinc/85/42/94/383854294.db2.gz ZOHWNPOCXZIWMI-UHFFFAOYSA-N 0 0 232.327 2.668 50 0 BFAARN Cc1ccnc(NC(=O)Cc2ccc(F)cc2)c1 ZINC000000339765 383856195 /nfs/dbraw/zinc/85/61/95/383856195.db2.gz ZFXWXTGIRSJOSE-UHFFFAOYSA-N 0 0 244.269 2.710 50 0 BFAARN COC(=O)c1cc(Br)ccc1Cl ZINC000000372459 383859541 /nfs/dbraw/zinc/85/95/41/383859541.db2.gz DOVGGQQIXPPXDC-UHFFFAOYSA-N 0 0 249.491 2.889 50 0 BFAARN COC(=O)c1ccc(COc2ccc(C)cc2)o1 ZINC000000373377 383859784 /nfs/dbraw/zinc/85/97/84/383859784.db2.gz LWCFKPDVOPOJKC-UHFFFAOYSA-N 0 0 246.262 2.954 50 0 BFAARN CC(C)(C)OC(=O)N1CCC2(CC2)CC1 ZINC000066348817 383859913 /nfs/dbraw/zinc/85/99/13/383859913.db2.gz XSQCPVUVEHFAQU-UHFFFAOYSA-N 0 0 211.305 2.798 50 0 BFAARN FC(F)(F)COc1ccnc(Cl)c1 ZINC000066352320 383861473 /nfs/dbraw/zinc/86/14/73/383861473.db2.gz AEIHRRMIARXQBG-UHFFFAOYSA-N 0 0 211.570 2.676 50 0 BFAARN Cc1ccc(C(=O)NC2CCCC2)cc1 ZINC000000383460 383861939 /nfs/dbraw/zinc/86/19/39/383861939.db2.gz PULPYXXKSPRWDB-UHFFFAOYSA-N 0 0 203.285 2.667 50 0 BFAARN CC(=O)N(c1nc(C=O)cs1)c1ccccc1 ZINC000000382975 383862469 /nfs/dbraw/zinc/86/24/69/383862469.db2.gz UPSVWABECCOHRT-UHFFFAOYSA-N 0 0 246.291 2.640 50 0 BFAARN Cc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000000394735 383864196 /nfs/dbraw/zinc/86/41/96/383864196.db2.gz YBRXHRWLEFCFEG-UHFFFAOYSA-N 0 0 232.304 2.828 50 0 BFAARN Cc1ccc(Br)c(N(C)C)c1 ZINC000000400008 383864604 /nfs/dbraw/zinc/86/46/04/383864604.db2.gz QRPSRXIDVBOPCC-UHFFFAOYSA-N 0 0 214.106 2.824 50 0 BFAARN CO[C@H]1CC/C=C/CC/C=C/CC[C@@H]1O ZINC000000409825 383866309 /nfs/dbraw/zinc/86/63/09/383866309.db2.gz NZJRBFVCZFRVNJ-PETOHXRGSA-N 0 0 210.317 2.829 50 0 BFAARN Cc1cc(C(=O)Nc2cccc(O)c2)co1 ZINC000000446383 383869485 /nfs/dbraw/zinc/86/94/85/383869485.db2.gz KOHYRMHFQJXHDI-UHFFFAOYSA-N 0 0 217.224 2.546 50 0 BFAARN COc1ccc(C(=O)c2ccco2)cc1 ZINC000000456237 383869978 /nfs/dbraw/zinc/86/99/78/383869978.db2.gz NESMDKYJXUDIIH-UHFFFAOYSA-N 0 0 202.209 2.519 50 0 BFAARN O=C(/C=C/c1cccs1)N1CCCCC1 ZINC000000473453 383872548 /nfs/dbraw/zinc/87/25/48/383872548.db2.gz ZGYJRCNUWVKODW-VOTSOKGWSA-N 0 0 221.325 2.774 50 0 BFAARN COC(=O)c1c(C)cccc1Br ZINC000035822898 383876123 /nfs/dbraw/zinc/87/61/23/383876123.db2.gz DDJSNWUTQDNGIZ-UHFFFAOYSA-N 0 0 229.073 2.544 50 0 BFAARN CC(=O)c1cccc(NC(=S)N2CCCC2)c1 ZINC000000621490 383877081 /nfs/dbraw/zinc/87/70/81/383877081.db2.gz UUNAOPBEACPWBU-UHFFFAOYSA-N 0 0 248.351 2.682 50 0 BFAARN c1cnn(CCCNc2nccc3occc32)c1 ZINC000032503303 383877795 /nfs/dbraw/zinc/87/77/95/383877795.db2.gz MKASHIQEBZNVRS-UHFFFAOYSA-N 0 0 242.282 2.527 50 0 BFAARN CC(=O)c1cn(C(C)=O)c2ccccc12 ZINC000000142409 383833991 /nfs/dbraw/zinc/83/39/91/383833991.db2.gz STUZJORZRZCLRI-UHFFFAOYSA-N 0 0 201.225 2.504 50 0 BFAARN Cc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 ZINC000001593169 383909300 /nfs/dbraw/zinc/90/93/00/383909300.db2.gz PTARVWLPQZIRCW-UHFFFAOYSA-N 0 0 248.303 2.533 50 0 BFAARN Cn1nc(C(F)(F)F)cc1-c1ccccc1O ZINC000004786712 383914686 /nfs/dbraw/zinc/91/46/86/383914686.db2.gz BUIDTGUFPHMVPP-UHFFFAOYSA-N 0 0 242.200 2.812 50 0 BFAARN COC(=O)c1ccccc1NC1CCCC1 ZINC000036891419 383916811 /nfs/dbraw/zinc/91/68/11/383916811.db2.gz BIXOUDDOWSNVOO-UHFFFAOYSA-N 0 0 219.284 2.828 50 0 BFAARN CC(C)(C)C(=O)NC[C@H]1CCCC1(F)F ZINC000334621438 383925612 /nfs/dbraw/zinc/92/56/12/383925612.db2.gz QNOLEFOSXXDTOH-MRVPVSSYSA-N 0 0 219.275 2.584 50 0 BFAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cccnc1 ZINC000000994894 383885118 /nfs/dbraw/zinc/88/51/18/383885118.db2.gz QUJFOVNCHIYEMM-LLVKDONJSA-N 0 0 238.290 2.673 50 0 BFAARN CCC[C@H](C)NC(=O)c1ccccc1OC ZINC000001017034 383885878 /nfs/dbraw/zinc/88/58/78/383885878.db2.gz MZNRIVNAMOMSEE-JTQLQIEISA-N 0 0 221.300 2.614 50 0 BFAARN CCC1(CC)NC(=S)N(c2ccc(C)cc2)N1 ZINC000001307230 383894483 /nfs/dbraw/zinc/89/44/83/383894483.db2.gz JHSBBGCQTBTCKK-UHFFFAOYSA-N 0 0 249.383 2.710 50 0 BFAARN COC(=O)c1ccc(OC2CCCC2)cc1 ZINC000001457123 383900521 /nfs/dbraw/zinc/90/05/21/383900521.db2.gz LBACDACLAMNTQI-UHFFFAOYSA-N 0 0 220.268 2.795 50 0 BFAARN Cc1ccc(C(=O)N[C@@H](C)c2ccc(C)o2)o1 ZINC000036392496 383901204 /nfs/dbraw/zinc/90/12/04/383901204.db2.gz QIIOTTHGSQPLHW-JTQLQIEISA-N 0 0 233.267 2.980 50 0 BFAARN Cn1cc(OCc2cccc(Cl)c2)cn1 ZINC000158460882 383981519 /nfs/dbraw/zinc/98/15/19/383981519.db2.gz GLEGNIRIUXRAET-UHFFFAOYSA-N 0 0 222.675 2.653 50 0 BFAARN CCOCCSc1nc2ccccc2[nH]1 ZINC000001926968 383940796 /nfs/dbraw/zinc/94/07/96/383940796.db2.gz LMGONSYQLRRHRN-UHFFFAOYSA-N 0 0 222.313 2.692 50 0 BFAARN CC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000089196572 383943248 /nfs/dbraw/zinc/94/32/48/383943248.db2.gz HOPFEUJFXKXWNN-UHFFFAOYSA-N 0 0 239.072 2.528 50 0 BFAARN CC(=O)c1ccc(F)c(Br)c1 ZINC000002004531 383944286 /nfs/dbraw/zinc/94/42/86/383944286.db2.gz SZDWTGAORQQQGY-UHFFFAOYSA-N 0 0 217.037 2.791 50 0 BFAARN Cc1cnn(-c2cnc3ccccc3c2)c1 ZINC000067840734 383950472 /nfs/dbraw/zinc/95/04/72/383950472.db2.gz IBKPUJQAULEVCW-UHFFFAOYSA-N 0 0 209.252 2.729 50 0 BFAARN CCCCNC(=O)Nc1cc(F)ccc1F ZINC000002167768 383953735 /nfs/dbraw/zinc/95/37/35/383953735.db2.gz PWIZHXDLCYNBFC-UHFFFAOYSA-N 0 0 228.242 2.886 50 0 BFAARN CCCCNC(=O)Nc1ccccc1OC ZINC000002166572 383954628 /nfs/dbraw/zinc/95/46/28/383954628.db2.gz WWNGDCDLPJBQIT-UHFFFAOYSA-N 0 0 222.288 2.617 50 0 BFAARN Cc1cc(C)n(-c2cccc(-c3ncc[nH]3)c2)n1 ZINC000067895404 383955924 /nfs/dbraw/zinc/95/59/24/383955924.db2.gz XVUFDXDSDPJRLN-UHFFFAOYSA-N 0 0 238.294 2.879 50 0 BFAARN FC(F)(F)c1ccn(-c2ccccc2)n1 ZINC000002243133 383957254 /nfs/dbraw/zinc/95/72/54/383957254.db2.gz AKPVEJBNHMWPEC-UHFFFAOYSA-N 0 0 212.174 2.891 50 0 BFAARN C(CCC1=NCCS1)CC1=NCCS1 ZINC000071773846 384000947 /nfs/dbraw/zinc/00/09/47/384000947.db2.gz KQAOZTSMZLTPRA-UHFFFAOYSA-N 0 0 228.386 2.837 50 0 BFAARN [NH3+][C@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000002504823 383966342 /nfs/dbraw/zinc/96/63/42/383966342.db2.gz BJZGTTDEOZUSRH-CQSZACIVSA-N 0 0 241.290 2.828 50 0 BFAARN CC(C)CC[N@@H+]1Cc2ccc(N)cc2C1 ZINC000037408487 383975218 /nfs/dbraw/zinc/97/52/18/383975218.db2.gz IVAPZPHQPAQHHW-UHFFFAOYSA-N 0 0 204.317 2.631 50 0 BFAARN O=Cc1c[nH]c2cccc(Br)c12 ZINC000002563719 383975545 /nfs/dbraw/zinc/97/55/45/383975545.db2.gz IPAFHZDRYAWZOB-UHFFFAOYSA-N 0 0 224.057 2.743 50 0 BFAARN Cc1[nH]ccc1C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000089536761 383976116 /nfs/dbraw/zinc/97/61/16/383976116.db2.gz KQJGJQVQFKVYOW-DGCLKSJQSA-N 0 0 232.327 2.728 50 0 BFAARN CCN(CC)c1ccc2cc(C(=O)OC)[nH]c2c1 ZINC000004235075 384049503 /nfs/dbraw/zinc/04/95/03/384049503.db2.gz IUCAOEZGGZORQQ-UHFFFAOYSA-N 0 0 246.310 2.801 50 0 BFAARN COC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000004235087 384050042 /nfs/dbraw/zinc/05/00/42/384050042.db2.gz DOPVUBUBIYMLBJ-UHFFFAOYSA-N 0 0 243.184 2.973 50 0 BFAARN c1nnsc1SCc1ccccc1 ZINC000003844540 384028797 /nfs/dbraw/zinc/02/87/97/384028797.db2.gz POVCGNAHSFQICQ-UHFFFAOYSA-N 0 0 208.311 2.830 50 0 BFAARN Cn1cncc1-c1ccc(Br)cc1 ZINC000090131967 384030411 /nfs/dbraw/zinc/03/04/11/384030411.db2.gz GBRRZXCIOPPVND-UHFFFAOYSA-N 0 0 237.100 2.850 50 0 BFAARN FC(F)C(F)(F)c1nc2ccccc2[nH]1 ZINC000003876610 384032068 /nfs/dbraw/zinc/03/20/68/384032068.db2.gz PMAMJQYTLFLOLC-UHFFFAOYSA-N 0 0 218.153 2.920 50 0 BFAARN C[C@]1(C(=O)Nc2ccc(Cl)cc2Cl)CO1 ZINC000003913039 384033372 /nfs/dbraw/zinc/03/33/72/384033372.db2.gz KITMQUMEHMRUPB-SNVBAGLBSA-N 0 0 246.093 2.721 50 0 BFAARN Cn1nc2c3c(cccc3c1=O)-c1ccccc1-2 ZINC000004942501 384092033 /nfs/dbraw/zinc/09/20/33/384092033.db2.gz IHXZUZKPEFKXTL-UHFFFAOYSA-N 0 0 234.258 2.581 50 0 BFAARN C[S@@](=O)c1sc(Cl)c2c1C(=O)CCC2 ZINC000004351318 384059523 /nfs/dbraw/zinc/05/95/23/384059523.db2.gz PGSSJIDFZJTWLZ-AWEZNQCLSA-N 0 0 248.756 2.658 50 0 BFAARN O=C(/C=C/c1cccc(F)c1)N1CCCCC1 ZINC000004542925 384065745 /nfs/dbraw/zinc/06/57/45/384065745.db2.gz BTNSKNZABHFHQZ-BQYQJAHWSA-N 0 0 233.286 2.851 50 0 BFAARN Cc1nnc2sc(/C=C/c3ccccc3)nn12 ZINC000004667590 384074280 /nfs/dbraw/zinc/07/42/80/384074280.db2.gz JKPVTJJPEOVAHM-BQYQJAHWSA-N 0 0 242.307 2.665 50 0 BFAARN CCOc1ccccc1C(=O)N[C@H](C)C(C)C ZINC000072622054 384102764 /nfs/dbraw/zinc/10/27/64/384102764.db2.gz LMXNKHURGRBNFQ-LLVKDONJSA-N 0 0 235.327 2.860 50 0 BFAARN O=C(CC(F)(F)F)Nc1cccc(F)c1 ZINC000043069533 384107184 /nfs/dbraw/zinc/10/71/84/384107184.db2.gz FTTVBSVAMCRFDH-UHFFFAOYSA-N 0 0 221.153 2.717 50 0 BFAARN Cc1ccc(N2Cc3ccccc3C2=O)c(N)c1 ZINC000070461122 384110899 /nfs/dbraw/zinc/11/08/99/384110899.db2.gz AGGRHNDSRKERKA-UHFFFAOYSA-N 0 0 238.290 2.738 50 0 BFAARN Clc1cc2c(cnn2[C@@H]2CCCCO2)cn1 ZINC000091302228 384114828 /nfs/dbraw/zinc/11/48/28/384114828.db2.gz OUIMHYFRCMWCEA-NSHDSACASA-N 0 0 237.690 2.784 50 0 BFAARN O=C1O[C@H](c2ccccc2)C(=O)c2ccccc21 ZINC000038841824 384094920 /nfs/dbraw/zinc/09/49/20/384094920.db2.gz XCHGJUZNPCZXLL-CQSZACIVSA-N 0 0 238.242 2.781 50 0 BFAARN CCN(CC)c1ccc(C2N=NC(=S)O2)cc1 ZINC000005931001 384137906 /nfs/dbraw/zinc/13/79/06/384137906.db2.gz XAGYYKLPUHUWLB-UHFFFAOYSA-N 0 0 249.339 2.872 50 0 BFAARN Fc1c(Cl)nc(Cl)nc1C1CC1 ZINC000091692455 384137986 /nfs/dbraw/zinc/13/79/86/384137986.db2.gz DCOTWAMPYCFXDA-UHFFFAOYSA-N 0 0 207.035 2.800 50 0 BFAARN Clc1cc(N2CCCCC2)nc(Cl)n1 ZINC000091363856 384120317 /nfs/dbraw/zinc/12/03/17/384120317.db2.gz CASRJOHSHYGIKB-UHFFFAOYSA-N 0 0 232.114 2.774 50 0 BFAARN CC(C)c1nc2cc(Br)ccn2n1 ZINC000091692175 384137444 /nfs/dbraw/zinc/13/74/44/384137444.db2.gz MHAZTFDFZAAHDW-UHFFFAOYSA-N 0 0 240.104 2.615 50 0 BFAARN Cc1ccc(C(=S)N2CCCC2)cc1 ZINC000006029791 384143362 /nfs/dbraw/zinc/14/33/62/384143362.db2.gz FWPOWOJQUZMIOJ-UHFFFAOYSA-N 0 0 205.326 2.766 50 0 BFAARN C1CC1c1nsc(N2CCCCCC2)n1 ZINC000080761250 384173402 /nfs/dbraw/zinc/17/34/02/384173402.db2.gz SURMNGVKMXAOCX-UHFFFAOYSA-N 0 0 223.345 2.796 50 0 BFAARN COC(=O)C1=C(C)NC(c2ccc(F)cc2)C1=O ZINC000006658022 384159438 /nfs/dbraw/zinc/15/94/38/384159438.db2.gz NIZLGERGIOZDOC-UHFFFAOYSA-N 0 0 249.241 2.621 50 0 BFAARN CCCCNc1cc(C)nc(CCC)n1 ZINC000006701920 384161844 /nfs/dbraw/zinc/16/18/44/384161844.db2.gz UDQOGRHSEKZWQE-UHFFFAOYSA-N 0 0 207.321 2.950 50 0 BFAARN C[C@@H](NC(=O)CCC1CCCC1)[C@@H]1CCCO1 ZINC000006700188 384163766 /nfs/dbraw/zinc/16/37/66/384163766.db2.gz SJULNWDEBXCCME-YPMHNXCESA-N 0 0 239.359 2.641 50 0 BFAARN CCc1ccccc1NC(=O)N1CCCC1 ZINC000006725624 384164230 /nfs/dbraw/zinc/16/42/30/384164230.db2.gz GXYHZNKIMHNZEB-UHFFFAOYSA-N 0 0 218.300 2.877 50 0 BFAARN CCCC(=O)Nc1ccnn1C1CCCC1 ZINC000060953533 384177017 /nfs/dbraw/zinc/17/70/17/384177017.db2.gz LYHSXFPXNMKKFB-UHFFFAOYSA-N 0 0 221.304 2.737 50 0 BFAARN C[C@H](C(=O)[O-])[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000237413349 384177063 /nfs/dbraw/zinc/17/70/63/384177063.db2.gz FEHPBDRDMSFMQL-IUODEOHRSA-N 0 0 247.338 2.513 50 0 BFAARN Cc1ccc([C@H](C)NCc2nnc(C(C)C)o2)o1 ZINC000097373971 384178339 /nfs/dbraw/zinc/17/83/39/384178339.db2.gz XMLIFJOTYLVMTM-JTQLQIEISA-N 0 0 249.314 2.945 50 0 BFAARN c1ccc(CNc2nc(C3CC3)no2)cc1 ZINC000071914141 384180259 /nfs/dbraw/zinc/18/02/59/384180259.db2.gz TZTGBJUBVGOAMQ-UHFFFAOYSA-N 0 0 215.256 2.559 50 0 BFAARN CCc1ccc(Nc2ncnc3nc[nH]c32)cc1 ZINC000002719590 384183202 /nfs/dbraw/zinc/18/32/02/384183202.db2.gz MBYJLFVZNNIGBA-UHFFFAOYSA-N 0 0 239.282 2.659 50 0 BFAARN O=Cc1nc2ccccc2cc1Br ZINC000071864032 384183651 /nfs/dbraw/zinc/18/36/51/384183651.db2.gz PJFNHALOBWCFMD-UHFFFAOYSA-N 0 0 236.068 2.810 50 0 BFAARN O=C([O-])CC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000041689200 384196051 /nfs/dbraw/zinc/19/60/51/384196051.db2.gz CUUWUZNUHLVJAO-UHFFFAOYSA-N 0 0 245.278 2.511 50 0 BFAARN C[C@H](C1CC1)N(C)C(=O)c1cccs1 ZINC000040490144 384241206 /nfs/dbraw/zinc/24/12/06/384241206.db2.gz TYEGCYBQPUDAEE-MRVPVSSYSA-N 0 0 209.314 2.619 50 0 BFAARN Cc1ccc(CNc2ncccc2F)nc1 ZINC000336582143 384239344 /nfs/dbraw/zinc/23/93/44/384239344.db2.gz LKGWALJPUPWWQE-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN Cc1noc(/C=C/c2ccccc2)c1N ZINC000072324054 384208765 /nfs/dbraw/zinc/20/87/65/384208765.db2.gz AYACQMBOAGPRAP-BQYQJAHWSA-N 0 0 200.241 2.736 50 0 biogenic BFAARN c1nc2ccccc2n1Cc1nc2ccccc2[nH]1 ZINC000008715645 384212971 /nfs/dbraw/zinc/21/29/71/384212971.db2.gz YVSFFYOZOWADFQ-UHFFFAOYSA-N 0 0 248.289 2.961 50 0 BFAARN Cc1cc(C(=O)Nc2cc(C)ccc2C)on1 ZINC000008769098 384218106 /nfs/dbraw/zinc/21/81/06/384218106.db2.gz KJQNUKUOJMTPEU-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN CC(C)(C)CC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000072439437 384222396 /nfs/dbraw/zinc/22/23/96/384222396.db2.gz HKCTUKJBEWJOGL-UHFFFAOYSA-N 0 0 249.358 2.552 50 0 BFAARN CC(C)(C)OC(=O)N1C(=O)[C@H]2CCCCC[C@H]21 ZINC000072481876 384223055 /nfs/dbraw/zinc/22/30/55/384223055.db2.gz MUIUKXFMPJXMCU-VHSXEESVSA-N 0 0 239.315 2.713 50 0 BFAARN CCN(Cc1nnc(C)o1)c1cccc(F)c1 ZINC000097494573 384223848 /nfs/dbraw/zinc/22/38/48/384223848.db2.gz QACBNGIWSSVNKL-UHFFFAOYSA-N 0 0 235.262 2.544 50 0 BFAARN COc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000408520018 384272855 /nfs/dbraw/zinc/27/28/55/384272855.db2.gz LYILXOOJPACPPG-DDTOSNHZSA-N 0 0 245.322 2.614 50 0 BFAARN CCCCNC(=O)COc1cc(C)ccc1C ZINC000010471943 384273407 /nfs/dbraw/zinc/27/34/07/384273407.db2.gz DDPSBFDVASSJQL-UHFFFAOYSA-N 0 0 235.327 2.599 50 0 BFAARN Cc1cnc(C)nc1N1CCc2ccccc2C1 ZINC000408518642 384273409 /nfs/dbraw/zinc/27/34/09/384273409.db2.gz ROEQLRCGQWUWGV-UHFFFAOYSA-N 0 0 239.322 2.656 50 0 BFAARN COC(=O)c1c(Cl)cnc(Cl)c1Cl ZINC000043827501 384304303 /nfs/dbraw/zinc/30/43/03/384304303.db2.gz CRSDEIIJMVDXIW-UHFFFAOYSA-N 0 0 240.473 2.828 50 0 BFAARN CCCCNC(=O)C1=Cc2ccccc2OC=C1 ZINC000012274541 384310697 /nfs/dbraw/zinc/31/06/97/384310697.db2.gz LVVQRVSBJNOVRH-UHFFFAOYSA-N 0 0 243.306 2.892 50 0 BFAARN c1ccc2[nH]c(N3CCCCC3)nc2c1 ZINC000011535802 384288923 /nfs/dbraw/zinc/28/89/23/384288923.db2.gz JUYQSMXGDBGGSX-UHFFFAOYSA-N 0 0 201.273 2.553 50 0 BFAARN Cc1cc(C)cc(C(=O)Nc2ccccn2)c1 ZINC000011535859 384290093 /nfs/dbraw/zinc/29/00/93/384290093.db2.gz YLFHLZGEJZCQBW-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN COc1ccccc1-n1cc(Cl)c(C)n1 ZINC000408525757 384290671 /nfs/dbraw/zinc/29/06/71/384290671.db2.gz GLHZUMXFGNYIOT-UHFFFAOYSA-N 0 0 222.675 2.843 50 0 BFAARN CN(Cc1ccccc1)C(=O)C(C)(C)C ZINC000011639053 384292904 /nfs/dbraw/zinc/29/29/04/384292904.db2.gz DAAJIFSPEAZXKE-UHFFFAOYSA-N 0 0 205.301 2.691 50 0 BFAARN c1ccc(Nc2cccc3nonc32)cc1 ZINC000000291837 384300891 /nfs/dbraw/zinc/30/08/91/384300891.db2.gz GBQOJFDUJFIVKS-UHFFFAOYSA-N 0 0 211.224 2.966 50 0 BFAARN CCc1[nH]nc(NCc2ccc(C)o2)c1C ZINC000083817399 384336627 /nfs/dbraw/zinc/33/66/27/384336627.db2.gz VUPIXMAGYRWLHC-UHFFFAOYSA-N 0 0 219.288 2.794 50 0 BFAARN CSc1cc(Br)ccc1C=O ZINC000075772009 384336686 /nfs/dbraw/zinc/33/66/86/384336686.db2.gz QIXIWZNICPQRQP-UHFFFAOYSA-N 0 0 231.114 2.984 50 0 BFAARN Nc1c(F)c(Br)ccc1Cl ZINC000075915343 384347446 /nfs/dbraw/zinc/34/74/46/384347446.db2.gz YBQMYAOZKDEJHG-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN Nc1ccc2cnccc2c1Br ZINC000013488994 384362943 /nfs/dbraw/zinc/36/29/43/384362943.db2.gz JDEBLBVBKMBILY-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN CC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000095401958 384374554 /nfs/dbraw/zinc/37/45/54/384374554.db2.gz USMVQQYAXDYDFX-NOZJJQNGSA-N 0 0 221.275 2.755 50 0 BFAARN Cc1ccc(C)c(O[C@@H](C)C(=O)NC(C)C)c1 ZINC000013710104 384368163 /nfs/dbraw/zinc/36/81/63/384368163.db2.gz UYGXALZTCJUDEO-LBPRGKRZSA-N 0 0 235.327 2.595 50 0 BFAARN COC(C)(C)CCNc1cc(C(C)C)ncn1 ZINC000095358836 384370934 /nfs/dbraw/zinc/37/09/34/384370934.db2.gz XPHRITLLFFECIR-UHFFFAOYSA-N 0 0 237.347 2.827 50 0 BFAARN Cc1nnc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)s1 ZINC000097080752 384323927 /nfs/dbraw/zinc/32/39/27/384323927.db2.gz UAYLIGKQKXAAFB-ATZCPNFKSA-N 0 0 239.388 2.761 50 0 BFAARN CCc1cccc2sc(NC(C)=O)nc21 ZINC000004348265 384324827 /nfs/dbraw/zinc/32/48/27/384324827.db2.gz XDFWOEXPQVZJEF-UHFFFAOYSA-N 0 0 220.297 2.817 50 0 BFAARN CN(Cc1nc(C2CC2)no1)Cc1ccccc1 ZINC000012710225 384331870 /nfs/dbraw/zinc/33/18/70/384331870.db2.gz YXMZBUFXLZIGQW-UHFFFAOYSA-N 0 0 243.310 2.579 50 0 BFAARN FC(F)c1cc(Br)ccn1 ZINC000077012115 384393382 /nfs/dbraw/zinc/39/33/82/384393382.db2.gz MNMLGZMORMDPJI-UHFFFAOYSA-N 0 0 208.005 2.782 50 0 BFAARN CCONC(=O)c1cc(C)nc2ccc(C)cc21 ZINC000032848275 384401182 /nfs/dbraw/zinc/40/11/82/384401182.db2.gz CFGAHWCOCLXAGW-UHFFFAOYSA-N 0 0 244.294 2.533 50 0 BFAARN O=C1c2cc(Cl)sc2CN2CCCC[C@@H]12 ZINC000032854028 384401492 /nfs/dbraw/zinc/40/14/92/384401492.db2.gz AYWOVIJZTVYYCT-QMMMGPOBSA-N 0 0 241.743 2.952 50 0 BFAARN c1cc2ncnc(Oc3cccnc3)c2s1 ZINC000032853463 384401668 /nfs/dbraw/zinc/40/16/68/384401668.db2.gz KRGJIDFJSLZWAA-UHFFFAOYSA-N 0 0 229.264 2.879 50 0 BFAARN Cc1c(O)c(Br)ccc1F ZINC000095929147 384409663 /nfs/dbraw/zinc/40/96/63/384409663.db2.gz NJJWOIJACWVQSZ-UHFFFAOYSA-N 0 0 205.026 2.602 50 0 BFAARN Clc1ccc(Br)c2n[nH]cc21 ZINC000014986094 384411457 /nfs/dbraw/zinc/41/14/57/384411457.db2.gz RFKZBMLAMVPTOP-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN O=C1CCc2cc(Br)c(F)cc21 ZINC000095935689 384415561 /nfs/dbraw/zinc/41/55/61/384415561.db2.gz NPJWOVWPFKCPHM-UHFFFAOYSA-N 0 0 229.048 2.717 50 0 BFAARN CC(=O)c1nn(-c2ccccc2)c(C)c1C(C)=O ZINC000015084657 384417945 /nfs/dbraw/zinc/41/79/45/384417945.db2.gz FAUKYMHSECMHRP-UHFFFAOYSA-N 0 0 242.278 2.586 50 0 BFAARN Cc1ccc(C)c(C=C2SC(=O)NC2=O)c1 ZINC000097990455 384420473 /nfs/dbraw/zinc/42/04/73/384420473.db2.gz XASFGLPKPVHGOH-UXBLZVDNSA-N 0 0 233.292 2.627 50 0 BFAARN C[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000096026224 384420866 /nfs/dbraw/zinc/42/08/66/384420866.db2.gz LSNCNPGUJAFNAO-LLVKDONJSA-N 0 0 217.312 2.849 50 0 BFAARN CC/C=C(\C)C(=O)NCCc1ccccc1OC ZINC000046042035 384420963 /nfs/dbraw/zinc/42/09/63/384420963.db2.gz JCPLYXGONITWCD-KPKJPENVSA-N 0 0 247.338 2.710 50 0 BFAARN CCCCN1C(=O)Cc2cc(F)ccc21 ZINC000096026255 384421847 /nfs/dbraw/zinc/42/18/47/384421847.db2.gz GCBXQDPEDTXLIL-UHFFFAOYSA-N 0 0 207.248 2.515 50 0 BFAARN CC1(C)CC(=O)Nc2cc(Cl)ccc21 ZINC000095496149 384379662 /nfs/dbraw/zinc/37/96/62/384379662.db2.gz XOCSIBQQEXKLPV-UHFFFAOYSA-N 0 0 209.676 2.960 50 0 BFAARN CNc1cc(Cl)nc(-c2ccccc2)n1 ZINC000014007524 384382172 /nfs/dbraw/zinc/38/21/72/384382172.db2.gz WWDBWADSTGHCMG-UHFFFAOYSA-N 0 0 219.675 2.839 50 0 BFAARN Cc1nnc(CSc2nc3ccccc3o2)o1 ZINC000004512878 384386768 /nfs/dbraw/zinc/38/67/68/384386768.db2.gz OMCVCIRSGAGTHC-UHFFFAOYSA-N 0 0 247.279 2.812 50 0 BFAARN CCCCNC(=O)CCc1ccccc1F ZINC000045326572 384387460 /nfs/dbraw/zinc/38/74/60/384387460.db2.gz QTDKVHYVSNTICA-UHFFFAOYSA-N 0 0 223.291 2.675 50 0 BFAARN Cc1cnc(COC(=O)C2=CCCCCC2)cn1 ZINC000097164132 384389447 /nfs/dbraw/zinc/38/94/47/384389447.db2.gz BQPXERKNGAIFBP-UHFFFAOYSA-N 0 0 246.310 2.719 50 0 BFAARN COC(=O)c1cnc2ccsc2c1Cl ZINC000095708161 384390359 /nfs/dbraw/zinc/39/03/59/384390359.db2.gz XMAAPCRARDHOKI-UHFFFAOYSA-N 0 0 227.672 2.736 50 0 BFAARN C[C@H](NC(=O)NCC1CC1)c1cccc(F)c1 ZINC000032909454 384449801 /nfs/dbraw/zinc/44/98/01/384449801.db2.gz QUWJUPZHNJCWLM-VIFPVBQESA-N 0 0 236.290 2.596 50 0 BFAARN Cc1c(N(C)C)c(C)c(N(C)C)c(C)c1N(C)C ZINC000096319138 384452250 /nfs/dbraw/zinc/45/22/50/384452250.db2.gz CKEFHFXXICPIIO-UHFFFAOYSA-N 0 0 249.402 2.810 50 0 BFAARN CCCCNC(=O)[C@H](C)Oc1cccc(C)c1 ZINC000047464434 384452883 /nfs/dbraw/zinc/45/28/83/384452883.db2.gz NGHSBNQFRBFELQ-LBPRGKRZSA-N 0 0 235.327 2.679 50 0 BFAARN FC(F)(F)c1ncccc1Br ZINC000015442931 384431874 /nfs/dbraw/zinc/43/18/74/384431874.db2.gz SMZAZDGFGOHROS-UHFFFAOYSA-N 0 0 225.995 2.863 50 0 BFAARN C[C@@H](O)Cc1cccc(F)c1Br ZINC000078210669 384435205 /nfs/dbraw/zinc/43/52/05/384435205.db2.gz APWVEMXECIDNLR-ZCFIWIBFSA-N 0 0 233.080 2.512 50 0 BFAARN CCCCCCOC(=O)[C@@H](N)Cc1ccccc1 ZINC000096111315 384435620 /nfs/dbraw/zinc/43/56/20/384435620.db2.gz BTJNEJYKDORDPM-AWEZNQCLSA-N 0 0 249.354 2.680 50 0 BFAARN CN1CCN(Cc2cncs2)c2ccccc21 ZINC000097236441 384462090 /nfs/dbraw/zinc/46/20/90/384462090.db2.gz CYKDXSOOBVFVFX-UHFFFAOYSA-N 0 0 245.351 2.600 50 0 BFAARN CCc1cccc(CC)c1-n1ccnc1 ZINC000047843989 384468751 /nfs/dbraw/zinc/46/87/51/384468751.db2.gz HLABUWOSYZYNKP-UHFFFAOYSA-N 0 0 200.285 2.997 50 0 BFAARN COC(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000016945820 384472403 /nfs/dbraw/zinc/47/24/03/384472403.db2.gz ZWSVMMHYHQNTKA-UHFFFAOYSA-N 0 0 228.247 2.846 50 0 BFAARN CCCCNC(=S)N(C)c1ccc(O)cc1 ZINC000005127315 384477535 /nfs/dbraw/zinc/47/75/35/384477535.db2.gz XDGBSJBAHFLKRU-UHFFFAOYSA-N 0 0 238.356 2.503 50 0 BFAARN CCOC(=O)c1csc(CCC(C)C)n1 ZINC000079102221 384484531 /nfs/dbraw/zinc/48/45/31/384484531.db2.gz BBLGMUGSZYYGGV-UHFFFAOYSA-N 0 0 227.329 2.908 50 0 BFAARN CC(C)(C)CCn1ccnc1[C@H](O)c1ccco1 ZINC000187237380 384500232 /nfs/dbraw/zinc/50/02/32/384500232.db2.gz ZQMYWFMLZJFRME-GFCCVEGCSA-N 0 0 248.326 2.994 50 0 BFAARN Cc1noc(N)c1-c1cccc(Cl)c1 ZINC000019045580 384510453 /nfs/dbraw/zinc/51/04/53/384510453.db2.gz FPZYVCHIGUSBEM-UHFFFAOYSA-N 0 0 208.648 2.886 50 0 BFAARN C[C@H]1SCCN(C(=O)c2ccsc2)[C@@H]1C ZINC000098010484 384520025 /nfs/dbraw/zinc/52/00/25/384520025.db2.gz GDJVJNCMOWJSRA-RKDXNWHRSA-N 0 0 241.381 2.714 50 0 BFAARN Cc1cc(F)cc(Br)c1O ZINC000097437902 384520250 /nfs/dbraw/zinc/52/02/50/384520250.db2.gz CRFKFEAHGVZUFU-UHFFFAOYSA-N 0 0 205.026 2.602 50 0 BFAARN CN(Cc1ccccc1)C(=O)c1ccc(O)cc1 ZINC000019838739 384543460 /nfs/dbraw/zinc/54/34/60/384543460.db2.gz MEDYNGXKKXEBEX-UHFFFAOYSA-N 0 0 241.290 2.664 50 0 BFAARN Nc1nc2cc(C(=O)c3ccccc3)ccc2o1 ZINC000097757428 384555369 /nfs/dbraw/zinc/55/53/69/384555369.db2.gz PAXCAXAQROMVLC-UHFFFAOYSA-N 0 0 238.246 2.641 50 0 BFAARN C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000019787729 384539068 /nfs/dbraw/zinc/53/90/68/384539068.db2.gz SCEUSADETKMIQZ-ZCFIWIBFSA-N 0 0 248.109 2.556 50 0 BFAARN CCCCN1C(=O)c2ccccc2[C@@H]1OC ZINC000020058129 384570445 /nfs/dbraw/zinc/57/04/45/384570445.db2.gz QRSFCYOSRUYIPJ-ZDUSSCGKSA-N 0 0 219.284 2.588 50 0 BFAARN O=Cc1ccc(C(=O)COc2ccccc2)cc1 ZINC000049830067 384571414 /nfs/dbraw/zinc/57/14/14/384571414.db2.gz GUVOQAYPLGTKRC-UHFFFAOYSA-N 0 0 240.258 2.761 50 0 BFAARN CN(Cc1ccccn1)c1nc2ccccc2o1 ZINC000049980104 384583600 /nfs/dbraw/zinc/58/36/00/384583600.db2.gz RIEUFZDKZBCNRQ-UHFFFAOYSA-N 0 0 239.278 2.859 50 0 BFAARN Ic1cccc2c1CCC2 ZINC000080854249 384586021 /nfs/dbraw/zinc/58/60/21/384586021.db2.gz MSVHXIIGNMLZCM-UHFFFAOYSA-N 0 0 244.075 2.780 50 0 BFAARN CCc1cccc(Cc2cnc(N)s2)c1 ZINC000020283819 384610854 /nfs/dbraw/zinc/61/08/54/384610854.db2.gz DMSQZYSBSLYCBT-UHFFFAOYSA-N 0 0 218.325 2.879 50 0 BFAARN Clc1c(Br)ccc2nccn21 ZINC000084251244 384616136 /nfs/dbraw/zinc/61/61/36/384616136.db2.gz STOHYIMQKKNYNR-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN O=C1CCCc2nc(-c3cccnc3)sc21 ZINC000050329652 384617126 /nfs/dbraw/zinc/61/71/26/384617126.db2.gz COKVUYJORMEUSU-UHFFFAOYSA-N 0 0 230.292 2.724 50 0 BFAARN CCc1ccc(C2CC(=O)CC(=O)C2)cc1 ZINC000100152828 384621631 /nfs/dbraw/zinc/62/16/31/384621631.db2.gz UWYXYUUAKSBXRP-UHFFFAOYSA-N 0 0 216.280 2.655 50 0 BFAARN CC(=O)c1cccc(NC(=O)NC2CCCC2)c1 ZINC000003070600 384673356 /nfs/dbraw/zinc/67/33/56/384673356.db2.gz MAZGJUHYAIBNTN-UHFFFAOYSA-N 0 0 246.310 2.953 50 0 BFAARN Cc1cccc(-c2cc3[nH]c(C)cc(=O)n3n2)c1 ZINC000100311507 384634572 /nfs/dbraw/zinc/63/45/72/384634572.db2.gz PTYYJJVGLBJEJE-UHFFFAOYSA-N 0 0 239.278 2.719 50 0 BFAARN CC1(C)[C@H]2CC[C@]1(C)C(O)=C2C(=O)C(F)(F)F ZINC000100650199 384649432 /nfs/dbraw/zinc/64/94/32/384649432.db2.gz ISLOIHOAZDSEAJ-OKTBNZSVSA-N 0 0 248.244 2.759 50 0 BFAARN COC(=O)c1cc2cccc3c2n1C[C@H](C)S3 ZINC000021163984 384652210 /nfs/dbraw/zinc/65/22/10/384652210.db2.gz MYEZLOPTMSYOED-QMMMGPOBSA-N 0 0 247.319 2.922 50 0 BFAARN Cc1ccc(O[C@@H](C)C(=O)N2CCCCC2)cc1 ZINC000002759874 384657118 /nfs/dbraw/zinc/65/71/18/384657118.db2.gz CCGSLGGHRAUPRF-ZDUSSCGKSA-N 0 0 247.338 2.775 50 0 BFAARN CCCCC[C@@H](C)NC(=O)NCCC ZINC000057580925 384726658 /nfs/dbraw/zinc/72/66/58/384726658.db2.gz YLFNTOSQULNSBW-SNVBAGLBSA-N 0 0 200.326 2.664 50 0 BFAARN O=[N+](Nc1ccc(O)cc1)c1ccc([O-])cc1 ZINC000368046776 384692665 /nfs/dbraw/zinc/69/26/65/384692665.db2.gz GNUFJJNQCRXCAY-UHFFFAOYSA-O 0 0 231.231 2.535 50 0 BFAARN Cc1cccc([C@@H](C)Sc2nc[nH]n2)c1 ZINC000078929137 384713552 /nfs/dbraw/zinc/71/35/52/384713552.db2.gz VZAKRFCMANLXAB-SECBINFHSA-N 0 0 219.313 2.966 50 0 BFAARN Fc1cc(Br)cc2c1NCCC2 ZINC000022219698 384747559 /nfs/dbraw/zinc/74/75/59/384747559.db2.gz RHPZZEKDQMMXIN-UHFFFAOYSA-N 0 0 230.080 2.946 50 0 BFAARN COC[C@@H](C)SCc1cn2ccccc2n1 ZINC000084495907 384761024 /nfs/dbraw/zinc/76/10/24/384761024.db2.gz LCYUIECWXLAYFJ-SNVBAGLBSA-N 0 0 236.340 2.602 50 0 BFAARN COC[C@@H](C)Nc1ccc(F)c(Cl)c1 ZINC000053172807 384769476 /nfs/dbraw/zinc/76/94/76/384769476.db2.gz BIQPBTWBUKZUHN-SSDOTTSWSA-N 0 0 217.671 2.926 50 0 BFAARN Cn1cc(-c2ccc(C(=O)C3CC3)cc2F)cn1 ZINC000426477655 384830898 /nfs/dbraw/zinc/83/08/98/384830898.db2.gz CUFCIVMRIGUQSM-UHFFFAOYSA-N 0 0 244.269 2.819 50 0 BFAARN COc1cc(F)c(NC(=O)C(C)C)cc1F ZINC000126273340 384788595 /nfs/dbraw/zinc/78/85/95/384788595.db2.gz UEFIKKYJWKVHRA-UHFFFAOYSA-N 0 0 229.226 2.568 50 0 BFAARN Nc1ccc(Br)cc1N1CCCC1 ZINC000083730511 384792723 /nfs/dbraw/zinc/79/27/23/384792723.db2.gz SZPVJRQTPASIJP-UHFFFAOYSA-N 0 0 241.132 2.632 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(C)c(C)c2)on1 ZINC000008325360 384798504 /nfs/dbraw/zinc/79/85/04/384798504.db2.gz VMIPWFOZTSIZQS-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN CCCCNC(=O)c1c[nH]nc1-c1cccs1 ZINC000072329440 384801512 /nfs/dbraw/zinc/80/15/12/384801512.db2.gz ZSSNRSPESUCVGI-UHFFFAOYSA-N 0 0 249.339 2.668 50 0 BFAARN Cc1ccc2[nH]c(-c3ccc(CO)o3)nc2c1C ZINC000055099557 384870226 /nfs/dbraw/zinc/87/02/26/384870226.db2.gz WSDDMKAMKHAVQX-UHFFFAOYSA-N 0 0 242.278 2.932 50 0 BFAARN O=Cc1ccc(OCCC(F)(F)F)c(F)c1 ZINC000127300053 384883000 /nfs/dbraw/zinc/88/30/00/384883000.db2.gz IDDKFQDHRIHNNS-UHFFFAOYSA-N 0 0 236.164 2.969 50 0 BFAARN Cc1cc(C=O)c(Br)cc1F ZINC000026893621 384884148 /nfs/dbraw/zinc/88/41/48/384884148.db2.gz GVSFHINXVWRTPT-UHFFFAOYSA-N 0 0 217.037 2.709 50 0 BFAARN COC(=O)c1ccccc1-c1ccc(C(C)=O)o1 ZINC000026786618 384884648 /nfs/dbraw/zinc/88/46/48/384884648.db2.gz HVRVNVQUALNSDH-UHFFFAOYSA-N 0 0 244.246 2.936 50 0 BFAARN Cc1ccc(C(=O)NCc2ccc(C)n2C)s1 ZINC000025467129 384850901 /nfs/dbraw/zinc/85/09/01/384850901.db2.gz FPIBMOWPRBKSTC-UHFFFAOYSA-N 0 0 248.351 2.633 50 0 BFAARN O=C(N[C@@H]1CCCc2ccccc21)OCCF ZINC000583651644 384862558 /nfs/dbraw/zinc/86/25/58/384862558.db2.gz PZQCYUXOENPKOZ-GFCCVEGCSA-N 0 0 237.274 2.760 50 0 BFAARN COC(=O)c1ccc(OCC(C)C)c(OC)c1 ZINC000057517695 384951621 /nfs/dbraw/zinc/95/16/21/384951621.db2.gz PWKDXKHWGSBZOS-UHFFFAOYSA-N 0 0 238.283 2.517 50 0 BFAARN C[S@@](=O)c1cccc(NCC(C)(C)C)c1 ZINC000095428782 384953579 /nfs/dbraw/zinc/95/35/79/384953579.db2.gz KFSGKZMGKWESHU-HNNXBMFYSA-N 0 0 225.357 2.882 50 0 BFAARN O=C(c1ccsc1)N1CCC(CF)CC1 ZINC000296031985 384953690 /nfs/dbraw/zinc/95/36/90/384953690.db2.gz WEEFQFJRYKPEIX-UHFFFAOYSA-N 0 0 227.304 2.570 50 0 BFAARN FC(F)(F)c1ccc(NCc2ccco2)nn1 ZINC000148588808 384892606 /nfs/dbraw/zinc/89/26/06/384892606.db2.gz RHGOXLHMAAYUMQ-UHFFFAOYSA-N 0 0 243.188 2.701 50 0 BFAARN CCOCNC(=O)c1ccc(Cl)cc1Cl ZINC000002024988 384924935 /nfs/dbraw/zinc/92/49/35/384924935.db2.gz UKMGSPALRXZATE-UHFFFAOYSA-N 0 0 248.109 2.717 50 0 BFAARN FC(F)(F)COc1ccc(Cl)cn1 ZINC000057218587 384930471 /nfs/dbraw/zinc/93/04/71/384930471.db2.gz BMEAABIZRAHLIW-UHFFFAOYSA-N 0 0 211.570 2.676 50 0 BFAARN COC(=O)c1cc2c(cccc2Cl)o1 ZINC000085436262 384944810 /nfs/dbraw/zinc/94/48/10/384944810.db2.gz IHJONRKLDGBAIE-UHFFFAOYSA-N 0 0 210.616 2.873 50 0 BFAARN COC(=O)c1occc1CN(C)c1ccccc1 ZINC000057941500 384973809 /nfs/dbraw/zinc/97/38/09/384973809.db2.gz KXECHNYXRATGTI-UHFFFAOYSA-N 0 0 245.278 2.703 50 0 BFAARN Cc1cc(C(=O)N[C@H](C)c2cccs2)no1 ZINC000043544758 384982778 /nfs/dbraw/zinc/98/27/78/384982778.db2.gz WNWAWOBUZHFYTR-MRVPVSSYSA-N 0 0 236.296 2.536 50 0 BFAARN CC(C)(C(=O)NCC(F)(F)F)c1ccccc1 ZINC000058230057 384989853 /nfs/dbraw/zinc/98/98/53/384989853.db2.gz KNAIWNGJVFMRHY-UHFFFAOYSA-N 0 0 245.244 2.643 50 0 BFAARN C[C@H](Cn1nnnc1C(C)(C)C)c1ccccc1 ZINC000128071324 384990239 /nfs/dbraw/zinc/99/02/39/384990239.db2.gz MLZOCHLCQNRTDC-LLVKDONJSA-N 0 0 244.342 2.774 50 0 BFAARN C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC=CCC1 ZINC000058313140 384995437 /nfs/dbraw/zinc/99/54/37/384995437.db2.gz HVHNZKUDCBNHIA-ZYHUDNBSSA-N 0 0 207.317 2.600 50 0 BFAARN CC/C=C(/C)C(=O)N1CCc2ccccc2C1 ZINC000058289597 384996962 /nfs/dbraw/zinc/99/69/62/384996962.db2.gz KVLLNRVPSKCVBP-SDQBBNPISA-N 0 0 229.323 2.928 50 0 BFAARN CCCc1ccc(C(=O)c2ncco2)cc1 ZINC000085651149 384961605 /nfs/dbraw/zinc/96/16/05/384961605.db2.gz ABLNLEMDZDCPIR-UHFFFAOYSA-N 0 0 215.252 2.858 50 0 BFAARN COCc1ccccc1NC(=O)c1cscn1 ZINC000059896170 385057374 /nfs/dbraw/zinc/05/73/74/385057374.db2.gz XAIFJIBBXXGKJS-UHFFFAOYSA-N 0 0 248.307 2.542 50 0 BFAARN Cc1ccc(OC[C@@H](C)NC(=O)C(C)(C)C)cc1 ZINC000060138747 385067903 /nfs/dbraw/zinc/06/79/03/385067903.db2.gz GBBYDEVYWAQMFL-GFCCVEGCSA-N 0 0 249.354 2.925 50 0 BFAARN COC(=O)c1cc(C)sc1Br ZINC000030678002 385026079 /nfs/dbraw/zinc/02/60/79/385026079.db2.gz ROKSORSRSUAPHR-UHFFFAOYSA-N 0 0 235.102 2.606 50 0 BFAARN Cc1cc(C)c2c(n1)oc1c2nc[nH]c1=S ZINC000032096895 385132355 /nfs/dbraw/zinc/13/23/55/385132355.db2.gz AHMHSEGBVRFEIR-UHFFFAOYSA-N 0 0 231.280 2.677 50 0 BFAARN C[C@H]1CC[C@H](n2cc(-c3ccncc3)nn2)C1 ZINC000585124314 385087697 /nfs/dbraw/zinc/08/76/97/385087697.db2.gz YABVWYOODFLASJ-JQWIXIFHSA-N 0 0 228.299 2.701 50 0 BFAARN O=C(CCc1ccc(F)cc1)NCc1ccco1 ZINC000060866073 385101407 /nfs/dbraw/zinc/10/14/07/385101407.db2.gz ZVJRDHREAUTFEX-UHFFFAOYSA-N 0 0 247.269 2.668 50 0 BFAARN CCC(=O)Nc1ccc(N2CCCCC2=O)cc1 ZINC000005441247 385102549 /nfs/dbraw/zinc/10/25/49/385102549.db2.gz NXSGXPBJANACJT-UHFFFAOYSA-N 0 0 246.310 2.552 50 0 BFAARN Fc1cccc(CSc2nncs2)c1 ZINC000060385592 385186935 /nfs/dbraw/zinc/18/69/35/385186935.db2.gz UNKJTZKMZFYKKL-UHFFFAOYSA-N 0 0 226.301 2.970 50 0 BFAARN Cc1cc(C(=O)Nc2cccc(Cl)c2)on1 ZINC000006789037 385150837 /nfs/dbraw/zinc/15/08/37/385150837.db2.gz CLAMNYVBHQVLAR-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN O=C(OCC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000096453113 385175472 /nfs/dbraw/zinc/17/54/72/385175472.db2.gz VBNQQVBZYLBQHF-GFCCVEGCSA-N 0 0 238.258 2.552 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NCc1ccc(Cl)s1 ZINC000025521841 385208254 /nfs/dbraw/zinc/20/82/54/385208254.db2.gz RTIWXPPOCRZDDI-HTRCEHHLSA-N 0 0 229.732 2.674 50 0 BFAARN F[C@H](C(F)(F)F)C(F)(F)Br ZINC000063146303 385210816 /nfs/dbraw/zinc/21/08/16/385210816.db2.gz UBSZSCBAJXCXOO-SFOWXEAESA-N 0 0 230.933 2.875 50 0 BFAARN O=C(CCSCC1CC1)N1CCCCC1 ZINC000096500738 385237653 /nfs/dbraw/zinc/23/76/53/385237653.db2.gz RWNBFHCLHXRNDE-UHFFFAOYSA-N 0 0 227.373 2.532 50 0 BFAARN Cc1ccc(O[C@@H](C)C(=O)NC(C)C)cc1C ZINC000008480988 385243882 /nfs/dbraw/zinc/24/38/82/385243882.db2.gz ILBDUZJSKQURJL-LBPRGKRZSA-N 0 0 235.327 2.595 50 0 BFAARN COC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000064198462 385246962 /nfs/dbraw/zinc/24/69/62/385246962.db2.gz ZUPVYZOPRHZKNJ-UHFFFAOYSA-N 0 0 209.632 2.608 50 0 BFAARN C(=C/c1ccccn1)\c1cccc(-n2cnnc2)c1 ZINC000065382484 385302764 /nfs/dbraw/zinc/30/27/64/385302764.db2.gz TYYYIRVPSJQTDJ-BQYQJAHWSA-N 0 0 248.289 2.833 50 0 BFAARN CCCn1ncc(-c2n[nH]c(CC(C)C)n2)c1C ZINC000065381471 385302823 /nfs/dbraw/zinc/30/28/23/385302823.db2.gz RBEPSXGBXDQARA-UHFFFAOYSA-N 0 0 247.346 2.585 50 0 BFAARN C[C@@H](Cn1cnnc1)c1ccc(Cl)cc1 ZINC000065374728 385304562 /nfs/dbraw/zinc/30/45/62/385304562.db2.gz HIEBWNHAZQAVNO-VIFPVBQESA-N 0 0 221.691 2.735 50 0 BFAARN Nc1cc(-c2cnc3ccccc3c2)ccn1 ZINC000065397907 385306432 /nfs/dbraw/zinc/30/64/32/385306432.db2.gz ZIWHDUFEYAYTGJ-UHFFFAOYSA-N 0 0 221.263 2.879 50 0 BFAARN c1ccc2c(c1)CC[C@H]2Cc1n[nH]c(C2CC2)n1 ZINC000065409258 385306705 /nfs/dbraw/zinc/30/67/05/385306705.db2.gz FQDZGKZKFSHOIU-LBPRGKRZSA-N 0 0 239.322 2.955 50 0 BFAARN CCCc1nccn1-c1ccc(NC(C)=O)cc1 ZINC000065423435 385310318 /nfs/dbraw/zinc/31/03/18/385310318.db2.gz MXQNOMAYFPJDJX-UHFFFAOYSA-N 0 0 243.310 2.783 50 0 BFAARN c1cc2c(ncnc2N2C[C@@H]3CCC[C@@H]3C2)s1 ZINC000098019106 385359102 /nfs/dbraw/zinc/35/91/02/385359102.db2.gz AFJFPQDCNPLBGB-AOOOYVTPSA-N 0 0 245.351 2.928 50 0 BFAARN Cc1ccc(C)c(C(=O)N2CCCC2)c1 ZINC000000514811 385380563 /nfs/dbraw/zinc/38/05/63/385380563.db2.gz NQDKPFMAWWWUOV-UHFFFAOYSA-N 0 0 203.285 2.539 50 0 BFAARN CCCCNC(=S)Nc1ccc(F)cc1 ZINC000013656707 385408917 /nfs/dbraw/zinc/40/89/17/385408917.db2.gz ZJBGMYPSRDKDSD-UHFFFAOYSA-N 0 0 226.320 2.912 50 0 BFAARN FC(F)(F)c1ncccc1N1CC(F)(F)C1 ZINC000169725736 385418273 /nfs/dbraw/zinc/41/82/73/385418273.db2.gz DQRQFQHDTDFAPG-UHFFFAOYSA-N 0 0 238.159 2.556 50 0 BFAARN FC(F)(F)c1cccnc1N1CC(F)(F)C1 ZINC000169725700 385418301 /nfs/dbraw/zinc/41/83/01/385418301.db2.gz XVZRAYDOMVCXAR-UHFFFAOYSA-N 0 0 238.159 2.556 50 0 BFAARN CC(=O)c1c[nH]c(C(=O)N2CCCCCCC2)c1 ZINC000051204409 385468030 /nfs/dbraw/zinc/46/80/30/385468030.db2.gz FEFRZPGDUTYGOM-UHFFFAOYSA-N 0 0 248.326 2.624 50 0 BFAARN O=C1Nc2ccccc2C(=O)Nc2ccccc21 ZINC000016974563 385501505 /nfs/dbraw/zinc/50/15/05/385501505.db2.gz YLPHHYHMUZCODZ-UHFFFAOYSA-N 0 0 238.246 2.505 50 0 BFAARN CCCCN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C ZINC000003901739 385554927 /nfs/dbraw/zinc/55/49/27/385554927.db2.gz IKHHMGVOWQSRKL-YGRLFVJLSA-N 0 0 237.343 2.598 50 0 BFAARN O=C1OCC[C@@H]1Sc1cccc2cccnc21 ZINC000000617191 385627534 /nfs/dbraw/zinc/62/75/34/385627534.db2.gz FZSIUQSONPUERC-NSHDSACASA-N 0 0 245.303 2.642 50 0 BFAARN Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)o1 ZINC000000995604 385709952 /nfs/dbraw/zinc/70/99/52/385709952.db2.gz JCIQPVVQULOFGR-UHFFFAOYSA-N 0 0 241.250 2.717 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCO2)cc1C ZINC000001054530 385728364 /nfs/dbraw/zinc/72/83/64/385728364.db2.gz CAXVXLIMLXPGLH-OCCSQVGLSA-N 0 0 247.338 2.660 50 0 BFAARN Fc1ccc2c(c1)CC[C@@H]2Nc1cnccn1 ZINC000301099257 385809661 /nfs/dbraw/zinc/80/96/61/385809661.db2.gz NYQBSENXLGNPDM-LBPRGKRZSA-N 0 0 229.258 2.715 50 0 BFAARN CCOc1cc(O)c(F)c(C(F)(F)F)c1 ZINC000261493648 385815414 /nfs/dbraw/zinc/81/54/14/385815414.db2.gz GNJFLBDVCCPYNW-UHFFFAOYSA-N 0 0 224.153 2.949 50 0 BFAARN CC(=O)Nc1ccc(OCc2cc(C)on2)cc1 ZINC000007826892 385913174 /nfs/dbraw/zinc/91/31/74/385913174.db2.gz ALOKTNVCLNXJEG-UHFFFAOYSA-N 0 0 246.266 2.520 50 0 BFAARN Clc1cnc(N2C[C@@H]3CCCC[C@@H]3C2)nc1 ZINC000095408684 385861219 /nfs/dbraw/zinc/86/12/19/385861219.db2.gz SQPOLSYZJNUSOR-AOOOYVTPSA-N 0 0 237.734 2.756 50 0 BFAARN Cc1ccc([C@@H](C)N[C@H](C)c2nnc(C)o2)o1 ZINC000182569659 385876099 /nfs/dbraw/zinc/87/60/99/385876099.db2.gz CKUMTQYWJNBSHV-RKDXNWHRSA-N 0 0 235.287 2.691 50 0 BFAARN COc1nc(C(F)(F)F)ccc1OC(F)F ZINC000309183405 385954253 /nfs/dbraw/zinc/95/42/53/385954253.db2.gz DYOWXGQFFNZXAQ-UHFFFAOYSA-N 0 0 243.131 2.710 50 0 BFAARN CC/C=C(\C)C(=O)OCc1noc(C(C)C)n1 ZINC000222147724 386036098 /nfs/dbraw/zinc/03/60/98/386036098.db2.gz KPUWAXWSMCJFQO-RMKNXTFCSA-N 0 0 238.287 2.593 50 0 BFAARN CN(C(=O)C1=CCC1)C1CCC(F)(F)CC1 ZINC000334448998 386084707 /nfs/dbraw/zinc/08/47/07/386084707.db2.gz PAZOGQKLWQSHRH-UHFFFAOYSA-N 0 0 229.270 2.743 50 0 BFAARN FC(F)Oc1cccnc1C(F)(F)F ZINC000263622761 386157263 /nfs/dbraw/zinc/15/72/63/386157263.db2.gz AQXNVLUKMFSQAA-UHFFFAOYSA-N 0 0 213.105 2.702 50 0 BFAARN Cc1nnc(CN[C@@H](C)c2ccccc2)s1 ZINC000095984161 386210215 /nfs/dbraw/zinc/21/02/15/386210215.db2.gz DFGGYTZHCIYHQZ-VIFPVBQESA-N 0 0 233.340 2.697 50 0 BFAARN Cc1cc(C(=O)OC2CCCCC2)ccn1 ZINC000225732263 386215143 /nfs/dbraw/zinc/21/51/43/386215143.db2.gz VWPKECVIJVGYEF-UHFFFAOYSA-N 0 0 219.284 2.880 50 0 BFAARN CC(C)n1nnnc1-c1cccc(Cl)c1 ZINC000001405255 386260005 /nfs/dbraw/zinc/26/00/05/386260005.db2.gz ZKBCHMCTKBNZFO-UHFFFAOYSA-N 0 0 222.679 2.574 50 0 BFAARN Cc1ccc(S[C@@H](C)C(=O)N(C)C)cc1 ZINC000031852064 386238070 /nfs/dbraw/zinc/23/80/70/386238070.db2.gz DKGQGUHWZZIRPZ-JTQLQIEISA-N 0 0 223.341 2.564 50 0 BFAARN O=C1O[C@@H](Nc2ccccc2)c2ccccc21 ZINC000000434237 386330048 /nfs/dbraw/zinc/33/00/48/386330048.db2.gz IURBFWKNFNSBQW-CYBMUJFWSA-N 0 0 225.247 2.968 50 0 BFAARN FC(F)(F)c1ccn(Cc2ccccc2)n1 ZINC000060059119 386335319 /nfs/dbraw/zinc/33/53/19/386335319.db2.gz OOVYVKRBJUVJAB-UHFFFAOYSA-N 0 0 226.201 2.950 50 0 BFAARN CN(C)c1noc2ccc(Br)cc21 ZINC000299889954 386497949 /nfs/dbraw/zinc/49/79/49/386497949.db2.gz RMYDVFAYPXGHTL-UHFFFAOYSA-N 0 0 241.088 2.656 50 0 BFAARN Oc1c(Cl)cccc1OC(F)(F)F ZINC000238720311 386526977 /nfs/dbraw/zinc/52/69/77/386526977.db2.gz CQJQVSGHNPDZRQ-UHFFFAOYSA-N 0 0 212.554 2.944 50 0 BFAARN CCOc1ncccc1-c1noc(C2CCC2)n1 ZINC000356251254 386541824 /nfs/dbraw/zinc/54/18/24/386541824.db2.gz VGDLWGVSOGRXKG-UHFFFAOYSA-N 0 0 245.282 2.798 50 0 BFAARN Cc1nc([C@H](C)N(C)c2ccsc2)no1 ZINC000585116117 386672075 /nfs/dbraw/zinc/67/20/75/386672075.db2.gz HPBMMWHOFNPMJB-ZETCQYMHSA-N 0 0 223.301 2.637 50 0 BFAARN CC(=O)c1ccc(NC2=NC[C@@H](C)S2)cc1 ZINC000004047797 386687506 /nfs/dbraw/zinc/68/75/06/386687506.db2.gz WENWMLIILWNSTP-MRVPVSSYSA-N 0 0 234.324 2.792 50 0 BFAARN O=C(/C=C/c1ccncc1)Nc1ccc(F)cc1 ZINC000032152253 386702625 /nfs/dbraw/zinc/70/26/25/386702625.db2.gz OVKHFKLQLOOUJY-LZCJLJQNSA-N 0 0 242.253 2.873 50 0 BFAARN O=S(=O)(CCc1ccccc1)c1ccccc1 ZINC000004015714 386722637 /nfs/dbraw/zinc/72/26/37/386722637.db2.gz RLTJPCSAOFZFJF-UHFFFAOYSA-N 0 0 246.331 2.703 50 0 BFAARN C[C@H]1CN(Cc2ccon2)c2cccc(F)c2O1 ZINC000185981690 386787205 /nfs/dbraw/zinc/78/72/05/386787205.db2.gz AHNDCUQATPKRFC-VIFPVBQESA-N 0 0 248.257 2.601 50 0 BFAARN Cc1nc(CSCc2ccccc2)no1 ZINC000057686032 386802493 /nfs/dbraw/zinc/80/24/93/386802493.db2.gz DULDJLYUUJTUJJ-UHFFFAOYSA-N 0 0 220.297 2.811 50 0 BFAARN C[C@H](NC(=O)c1ccc(F)cc1)c1cccnc1 ZINC000032731616 386815737 /nfs/dbraw/zinc/81/57/37/386815737.db2.gz FYLPHAGAZIRQRL-JTQLQIEISA-N 0 0 244.269 2.712 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)Nc1nc2ccccc2s1 ZINC000012921726 386922691 /nfs/dbraw/zinc/92/26/91/386922691.db2.gz FHJQNQMNXFCJJM-HTQZYQBOSA-N 0 0 232.308 2.891 50 0 BFAARN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cn1 ZINC000032895410 386944473 /nfs/dbraw/zinc/94/44/73/386944473.db2.gz LGNLSGRHVQITAO-LBPRGKRZSA-N 0 0 240.306 2.881 50 0 BFAARN CC(C)([NH3+])[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000085118196 386964545 /nfs/dbraw/zinc/96/45/45/386964545.db2.gz MEIXRUWEWJUTFS-SNVBAGLBSA-N 0 0 241.718 2.636 50 0 BFAARN FC1(F)CCC[C@@H]1Cn1cnc(C2CC2)n1 ZINC000334965140 387046133 /nfs/dbraw/zinc/04/61/33/387046133.db2.gz QRKHJZLBBZBBCP-SECBINFHSA-N 0 0 227.258 2.591 50 0 BFAARN Cc1nc(C(=O)Oc2ccccc2C)cs1 ZINC000069311963 387062829 /nfs/dbraw/zinc/06/28/29/387062829.db2.gz KUMRWMVGMJPVPG-UHFFFAOYSA-N 0 0 233.292 2.979 50 0 BFAARN O=c1ccccn1CC1CCC(F)(F)CC1 ZINC000334933317 387009426 /nfs/dbraw/zinc/00/94/26/387009426.db2.gz FYGZMKHPOYUWOH-UHFFFAOYSA-N 0 0 227.254 2.674 50 0 BFAARN O=Cc1cccc(-c2cnc3[nH]ccc3c2)c1 ZINC000585661688 387076376 /nfs/dbraw/zinc/07/63/76/387076376.db2.gz HVKTZZYGFQDEST-UHFFFAOYSA-N 0 0 222.247 2.994 50 0 BFAARN COC(=O)c1cc2scc(Cl)c2[nH]1 ZINC000072226024 387127052 /nfs/dbraw/zinc/12/70/52/387127052.db2.gz BEMUCZOBFBMGJZ-UHFFFAOYSA-N 0 0 215.661 2.669 50 0 BFAARN Cc1ccccc1[C@H](C)NC(=O)[C@@H]1C[C@H]1C ZINC000032978733 387143184 /nfs/dbraw/zinc/14/31/84/387143184.db2.gz ZVUZXWSXXTVAGZ-NTZNESFSSA-N 0 0 217.312 2.828 50 0 BFAARN c1nc2cc(NC3CCOCC3)ccc2s1 ZINC000075171401 387157408 /nfs/dbraw/zinc/15/74/08/387157408.db2.gz SAIUAIQSZCEMHB-UHFFFAOYSA-N 0 0 234.324 2.887 50 0 BFAARN CC(C)c1nsc(N(C)C2CCC2)n1 ZINC000089893691 387188714 /nfs/dbraw/zinc/18/87/14/387188714.db2.gz QZANITLCBIUVQA-UHFFFAOYSA-N 0 0 211.334 2.650 50 0 BFAARN S=C1N=NC(NC2CCCCC2)S1 ZINC000000410231 322809739 /nfs/dbraw/zinc/80/97/39/322809739.db2.gz JOPULZODGGQCOM-UHFFFAOYSA-N 0 0 215.347 2.571 50 0 BFAARN CCc1cc(O)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000191014946 387199575 /nfs/dbraw/zinc/19/95/75/387199575.db2.gz GPUSEFGLBZWAAO-LDYMZIIASA-N 0 0 219.284 2.549 50 0 BFAARN Cc1ccc(C(=O)N[C@H](C)c2cccs2)cn1 ZINC000012981025 387381501 /nfs/dbraw/zinc/38/15/01/387381501.db2.gz ZBZAKWFDNQQVJU-SNVBAGLBSA-N 0 0 246.335 2.943 50 0 BFAARN COc1sc(C(C)=O)cc1Br ZINC000008873712 387383130 /nfs/dbraw/zinc/38/31/30/387383130.db2.gz REPQIIAZSSZKFB-UHFFFAOYSA-N 0 0 235.102 2.722 50 0 BFAARN CCCCCNC(=O)c1ccc2c(c1)COC2 ZINC000064378646 387339464 /nfs/dbraw/zinc/33/94/64/387339464.db2.gz IZPFUDZODNXXFU-UHFFFAOYSA-N 0 0 233.311 2.637 50 0 BFAARN C[C@]1(F)CCCN(C(=O)c2ccsc2)C1 ZINC000295640661 387340854 /nfs/dbraw/zinc/34/08/54/387340854.db2.gz TWFVCGSVXKTBLO-NSHDSACASA-N 0 0 227.304 2.712 50 0 BFAARN Cc1nc(CN(C)[C@H](C)c2ccccn2)oc1C ZINC000089558247 387344241 /nfs/dbraw/zinc/34/42/41/387344241.db2.gz HLFKDPAJHWACDL-LLVKDONJSA-N 0 0 245.326 2.879 50 0 BFAARN Cc1noc2nc(C)cc(C(F)(F)F)c12 ZINC000004541890 387446840 /nfs/dbraw/zinc/44/68/40/387446840.db2.gz MKECJHYDHYAUTK-UHFFFAOYSA-N 0 0 216.162 2.858 50 0 BFAARN O=Cc1c[nH]c2cc(Br)ccc12 ZINC000002569373 387471882 /nfs/dbraw/zinc/47/18/82/387471882.db2.gz WCCLQCBKBPTODV-UHFFFAOYSA-N 0 0 224.057 2.743 50 0 BFAARN Cc1ccc(C[C@@H](C)[N@H+](C)CCCC(=O)[O-])cc1 ZINC000151134127 387476445 /nfs/dbraw/zinc/47/64/45/387476445.db2.gz OWUOJFAABYKZLO-CYBMUJFWSA-N 0 0 249.354 2.723 50 0 BFAARN CC(C)C(=O)c1ccc(-c2ccnn2C)s1 ZINC000426541200 387581631 /nfs/dbraw/zinc/58/16/31/387581631.db2.gz DMOVZZWSTRUCEI-UHFFFAOYSA-N 0 0 234.324 2.987 50 0 BFAARN NC(=O)Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC000426634143 387582848 /nfs/dbraw/zinc/58/28/48/387582848.db2.gz HGZCMNGHZSPNMQ-UHFFFAOYSA-N 0 0 247.244 2.660 50 0 BFAARN Cc1cc(-c2cnn([C@H]3CCCCO3)c2)ccn1 ZINC000426658318 387584135 /nfs/dbraw/zinc/58/41/35/387584135.db2.gz JQIWKIYONNHAQG-CQSZACIVSA-N 0 0 243.310 2.953 50 0 BFAARN CCc1c(-c2cccc(N(C)C)c2)cnn1C ZINC000426383111 387562733 /nfs/dbraw/zinc/56/27/33/387562733.db2.gz JEPOLXAXQCGZHW-UHFFFAOYSA-N 0 0 229.327 2.716 50 0 BFAARN CCO[C@H](C)c1ccc(-c2nc(OC)n[nH]2)cc1 ZINC000426470859 387571284 /nfs/dbraw/zinc/57/12/84/387571284.db2.gz OIFPKFQCNOTDRJ-SECBINFHSA-N 0 0 247.298 2.578 50 0 BFAARN CCCCOc1cccc(-c2cncc(=O)[nH]2)c1 ZINC000426509349 387575748 /nfs/dbraw/zinc/57/57/48/387575748.db2.gz JCFTWGXSHSUHLD-UHFFFAOYSA-N 0 0 244.294 2.616 50 0 BFAARN c1cc(-c2ccc(N3CCCC3)nn2)cs1 ZINC000426526458 387576177 /nfs/dbraw/zinc/57/61/77/387576177.db2.gz QJJJZTVMIQUPMY-UHFFFAOYSA-N 0 0 231.324 2.805 50 0 BFAARN CCOc1ccnc(-c2ccc(F)cc2OC)n1 ZINC000426535287 387579067 /nfs/dbraw/zinc/57/90/67/387579067.db2.gz XAQNQVHVRFJAKC-UHFFFAOYSA-N 0 0 248.257 2.690 50 0 BFAARN CCc1cccc(NC(=O)N2CCO[C@@H](C)C2)c1 ZINC000040526331 387579931 /nfs/dbraw/zinc/57/99/31/387579931.db2.gz XIAALZRERZHFEF-NSHDSACASA-N 0 0 248.326 2.502 50 0 BFAARN Cc1cc(C)cc(NC(=O)NC(C)C)c1 ZINC000000397160 177907261 /nfs/dbraw/zinc/90/72/61/177907261.db2.gz CISRMVBYLJIVTC-UHFFFAOYSA-N 0 0 206.289 2.833 50 0 BFAARN C[C@H](NC(=O)c1ccc(F)cc1)c1ccncc1 ZINC000006715491 387744823 /nfs/dbraw/zinc/74/48/23/387744823.db2.gz ULLOZPDGSRFNLU-JTQLQIEISA-N 0 0 244.269 2.712 50 0 BFAARN CCCCOC(=O)CCc1nc2ccccc2[nH]1 ZINC000001775534 387712335 /nfs/dbraw/zinc/71/23/35/387712335.db2.gz HOBLWAPVUZEAME-UHFFFAOYSA-N 0 0 246.310 2.839 50 0 BFAARN Cc1cc(C)cc(NC(=S)NC2CC2)c1 ZINC000000306066 177908190 /nfs/dbraw/zinc/90/81/90/177908190.db2.gz QFJXNOOXOZQMLB-UHFFFAOYSA-N 0 0 220.341 2.752 50 0 BFAARN O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC=CCC1 ZINC000006879165 387758996 /nfs/dbraw/zinc/75/89/96/387758996.db2.gz IQGNFIUBIBQTOY-MRVPVSSYSA-N 0 0 249.339 2.710 50 0 BFAARN CC1(C)CC2=N[C@@H](c3ccccc3)N=C2C(=O)C1 ZINC000036584486 387895016 /nfs/dbraw/zinc/89/50/16/387895016.db2.gz VPTVQTIEGSAYTA-CQSZACIVSA-N 0 0 240.306 2.970 50 0 BFAARN Cc1cc(C(=O)Nc2cc(F)ccc2C)on1 ZINC000006789176 387897070 /nfs/dbraw/zinc/89/70/70/387897070.db2.gz XAPISBIVPLWQMM-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)on1 ZINC000005405430 177819152 /nfs/dbraw/zinc/81/91/52/177819152.db2.gz QQNHQKLVBWEINP-UHFFFAOYSA-N 0 0 242.278 2.724 50 0 BFAARN CC[C@@H](C)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000065491048 388005292 /nfs/dbraw/zinc/00/52/92/388005292.db2.gz HAEVUMVRGZSTNO-RKDXNWHRSA-N 0 0 237.265 2.833 50 0 BFAARN Cc1cc(C(=O)NC[C@H](C)c2ccccc2)on1 ZINC000023445060 177791406 /nfs/dbraw/zinc/79/14/06/177791406.db2.gz YKTYIMHXMPLFSY-JTQLQIEISA-N 0 0 244.294 2.517 50 0 BFAARN CC(C)CCNc1ccc(Cl)c(C(N)=O)c1 ZINC000037045878 388085749 /nfs/dbraw/zinc/08/57/49/388085749.db2.gz UPIYCMWYTYJJOD-UHFFFAOYSA-N 0 0 240.734 2.897 50 0 BFAARN C[C@@H](NC(=O)Cc1cccs1)c1cccnc1 ZINC000065585439 388098373 /nfs/dbraw/zinc/09/83/73/388098373.db2.gz YIQLINHJYYQRSD-SNVBAGLBSA-N 0 0 246.335 2.563 50 0 BFAARN CC/C=C(/C)C(=O)N[C@H](C)Cc1ccco1 ZINC000065591430 388098847 /nfs/dbraw/zinc/09/88/47/388098847.db2.gz LFOFZKBLJQIFMX-SDKXAQGSSA-N 0 0 221.300 2.683 50 0 BFAARN CN(Cc1ccncc1)C(=O)NC1CCCCC1 ZINC000042758600 388112635 /nfs/dbraw/zinc/11/26/35/388112635.db2.gz LZDTZCDBPLBYJL-UHFFFAOYSA-N 0 0 247.342 2.556 50 0 BFAARN CC(C)CC[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250596175 388177315 /nfs/dbraw/zinc/17/73/15/388177315.db2.gz NYJQTXUOIFWYGX-UPJWGTAASA-N 0 0 239.359 2.750 50 0 BFAARN CC(=O)[C@@H]1CCCC(=O)[C@@H]2CC[C@@H](C)[C@@H]21 ZINC000238803479 388257099 /nfs/dbraw/zinc/25/70/99/388257099.db2.gz FVYBONJZCMSLFD-HFHAKLMTSA-N 0 0 208.301 2.607 50 0 BFAARN C[C@H](CCO)CNc1ccnc2c(F)cccc12 ZINC000170089571 388258014 /nfs/dbraw/zinc/25/80/14/388258014.db2.gz QOWKVQMMJDYIQP-SNVBAGLBSA-N 0 0 248.301 2.804 50 0 BFAARN O=C(Oc1ccc2c(c1)CCC2)[C@H]1CCCOC1 ZINC000170620718 388259764 /nfs/dbraw/zinc/25/97/64/388259764.db2.gz MMNSKLDEMXRZSN-ZDUSSCGKSA-N 0 0 246.306 2.507 50 0 BFAARN Cn1ccccc1=NCc1ccccc1Cl ZINC000254622702 388347567 /nfs/dbraw/zinc/34/75/67/388347567.db2.gz BTUXMXAZTPIHKD-UHFFFAOYSA-N 0 0 232.714 2.779 50 0 BFAARN CC(C)c1noc([C@@H]2CCC(=O)C[C@@H]2C)n1 ZINC000162579711 388354522 /nfs/dbraw/zinc/35/45/22/388354522.db2.gz BJTDUZVYEIXDIB-WCBMZHEXSA-N 0 0 222.288 2.666 50 0 BFAARN CN(Cc1cccs1)C(=O)C1CCC1 ZINC000057355252 388357706 /nfs/dbraw/zinc/35/77/06/388357706.db2.gz RQRHLWOASNGUEY-UHFFFAOYSA-N 0 0 209.314 2.507 50 0 BFAARN CC[C@H](C)n1cnc(-c2ccccc2)cc1=O ZINC000038518036 388405146 /nfs/dbraw/zinc/40/51/46/388405146.db2.gz KGJHCKSMWSKXNC-NSHDSACASA-N 0 0 228.295 2.881 50 0 BFAARN CC(C)N=c1ccccn1C(=O)C[C@H]1C=CCC1 ZINC000254800205 388366915 /nfs/dbraw/zinc/36/69/15/388366915.db2.gz RWDSDSMNQARVAY-ZDUSSCGKSA-N 0 0 244.338 2.794 50 0 BFAARN CSCc1ccc(Br)cn1 ZINC000132821805 388369468 /nfs/dbraw/zinc/36/94/68/388369468.db2.gz QWFYOEIFMOQUBN-UHFFFAOYSA-N 0 0 218.119 2.707 50 0 BFAARN Fc1ccc(NN=Cc2ccccn2)c(F)c1 ZINC000254822127 388370604 /nfs/dbraw/zinc/37/06/04/388370604.db2.gz DWNQXUQNCJQMGH-UHFFFAOYSA-N 0 0 233.221 2.806 50 0 BFAARN Cc1noc(C)c1COC(=O)/C=C/c1ccco1 ZINC000003344120 388374664 /nfs/dbraw/zinc/37/46/64/388374664.db2.gz WYWVAMFDPGBNMR-AATRIKPKSA-N 0 0 247.250 2.641 50 0 BFAARN CCC[C@H](NC(C)=O)c1ccc(F)cc1F ZINC000089949710 388375417 /nfs/dbraw/zinc/37/54/17/388375417.db2.gz PVDCJQCARBFRQJ-LBPRGKRZSA-N 0 0 227.254 2.942 50 0 BFAARN CCO[C@H](C)c1noc([C@H]2CC=CCC2)n1 ZINC000089984965 388379269 /nfs/dbraw/zinc/37/92/69/388379269.db2.gz QAWWRYOGDJCVOJ-ZJUUUORDSA-N 0 0 222.288 2.991 50 0 BFAARN CC(=O)c1cccc(NC(=O)c2ccccn2)c1 ZINC000003561809 388382988 /nfs/dbraw/zinc/38/29/88/388382988.db2.gz IUWGCZRWZHLYMS-UHFFFAOYSA-N 0 0 240.262 2.537 50 0 BFAARN Cc1cnc(COc2c(F)cccc2F)o1 ZINC000133777048 388390012 /nfs/dbraw/zinc/39/00/12/388390012.db2.gz QTYAYTKSARBVTI-UHFFFAOYSA-N 0 0 225.194 2.840 50 0 BFAARN Cc1nnc([C@@H](C)Oc2ccc(C)c(F)c2)o1 ZINC000193587584 388390850 /nfs/dbraw/zinc/39/08/50/388390850.db2.gz ZWUSEXSFMJXRLP-MRVPVSSYSA-N 0 0 236.246 2.966 50 0 BFAARN C[C@H](NC(=O)Nc1ccccc1)c1cccnc1 ZINC000010262232 388445565 /nfs/dbraw/zinc/44/55/65/388445565.db2.gz IILJYEZVSQDMNU-NSHDSACASA-N 0 0 241.294 2.964 50 0 BFAARN CC(C)c1nc(CNC(=O)[C@@H]2C[C@H]2C)cs1 ZINC000071879566 388447003 /nfs/dbraw/zinc/44/70/03/388447003.db2.gz IOURNVBNHGRUDO-PSASIEDQSA-N 0 0 238.356 2.539 50 0 BFAARN CC(C)c1noc([C@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000076040502 388472519 /nfs/dbraw/zinc/47/25/19/388472519.db2.gz AYJNNLQROCUWFZ-GARJFASQSA-N 0 0 249.358 2.842 50 0 BFAARN CCO[C@H]1C[C@H](Nc2ccnc(C)n2)C12CCC2 ZINC000195531024 388476869 /nfs/dbraw/zinc/47/68/69/388476869.db2.gz MJXJMLWZXKLZPS-RYUDHWBXSA-N 0 0 247.342 2.545 50 0 BFAARN CC(=O)c1cc2cc3c(cc2s1)OCO3 ZINC000039932616 388411053 /nfs/dbraw/zinc/41/10/53/388411053.db2.gz VJIOMPMVDYFNOV-UHFFFAOYSA-N 0 0 220.249 2.833 50 0 BFAARN Cc1ccc(C)c([C@@H](C)NC(=O)NC2CC2)c1 ZINC000040016027 388411963 /nfs/dbraw/zinc/41/19/63/388411963.db2.gz IBDCALWJBDPPNK-LLVKDONJSA-N 0 0 232.327 2.826 50 0 BFAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cccn1C ZINC000069128191 388412779 /nfs/dbraw/zinc/41/27/79/388412779.db2.gz OEBBPLOXVQKKQB-LLVKDONJSA-N 0 0 240.306 2.617 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccco2)[C@H]1C ZINC000245228347 388413989 /nfs/dbraw/zinc/41/39/89/388413989.db2.gz RZGCUTGKLOKALL-OUAUKWLOSA-N 0 0 221.300 2.834 50 0 BFAARN O=C1[C@@H]2Cc3ccccc3[C@@H]2C1(Cl)Cl ZINC000000159169 388414311 /nfs/dbraw/zinc/41/43/11/388414311.db2.gz KAGZBEUEDMPZCQ-BDAKNGLRSA-N 0 0 227.090 2.699 50 0 BFAARN Cc1ccc(SCCN2CCOC2=O)cc1 ZINC000069374692 388415676 /nfs/dbraw/zinc/41/56/76/388415676.db2.gz AONOIZBILZNXCB-UHFFFAOYSA-N 0 0 237.324 2.539 50 0 BFAARN CCN(CC)C(=O)CSCc1cccs1 ZINC000040460905 388416274 /nfs/dbraw/zinc/41/62/74/388416274.db2.gz LHWPDELIHNSLDM-UHFFFAOYSA-N 0 0 243.397 2.850 50 0 BFAARN Cc1nnc(SCc2c(C)noc2C)s1 ZINC000040456985 388416879 /nfs/dbraw/zinc/41/68/79/388416879.db2.gz JZNXVVDVEDMPID-UHFFFAOYSA-N 0 0 241.341 2.744 50 0 BFAARN CCONC(=O)c1ccc(SC(F)F)cc1 ZINC000040489218 388418031 /nfs/dbraw/zinc/41/80/31/388418031.db2.gz FFYHBOKKPFEIQT-UHFFFAOYSA-N 0 0 247.266 2.683 50 0 BFAARN CC(C)CC[C@@H](C)NC(=O)Cc1ccccc1O ZINC000069598634 388421357 /nfs/dbraw/zinc/42/13/57/388421357.db2.gz AZNNOOBDLOANFC-GFCCVEGCSA-N 0 0 249.354 2.876 50 0 BFAARN CSCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000009219158 388423978 /nfs/dbraw/zinc/42/39/78/388423978.db2.gz SROCLWBBXVRBAF-CYBMUJFWSA-N 0 0 249.379 2.933 50 0 BFAARN Cc1cnccc1NC(=O)c1ccc(F)cc1 ZINC000069741569 388426113 /nfs/dbraw/zinc/42/61/13/388426113.db2.gz UKYNYWPCJONEBV-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN O=C(OC1CCCC1)[C@H]1CCCc2cccnc21 ZINC000193764303 388426344 /nfs/dbraw/zinc/42/63/44/388426344.db2.gz LDJHFFNMLXHEBQ-ZDUSSCGKSA-N 0 0 245.322 2.987 50 0 BFAARN CC(C)(C)c1cnc(CN2CCSCC2)o1 ZINC000041366796 388434281 /nfs/dbraw/zinc/43/42/81/388434281.db2.gz ORCUGSXPWKAQOT-UHFFFAOYSA-N 0 0 240.372 2.521 50 0 BFAARN CC(C)(C)c1cnc(CN2CCCCC2)o1 ZINC000041362313 388434481 /nfs/dbraw/zinc/43/44/81/388434481.db2.gz FKKQHAJPNNOOHL-UHFFFAOYSA-N 0 0 222.332 2.958 50 0 BFAARN CC(C)CCNC(=O)N1CCn2cccc2[C@H]1C ZINC000009528114 388437077 /nfs/dbraw/zinc/43/70/77/388437077.db2.gz USEBGKMLJQROIG-GFCCVEGCSA-N 0 0 249.358 2.620 50 0 BFAARN Cc1noc2ncnc(N[C@@H]3CCCC[C@H]3C)c12 ZINC000021531589 388592947 /nfs/dbraw/zinc/59/29/47/388592947.db2.gz RIHMUTYAOUZJTM-PSASIEDQSA-N 0 0 246.314 2.917 50 0 BFAARN Cc1nn(-c2ccccc2)c2oc(=O)cc(C)c12 ZINC000000091326 177721423 /nfs/dbraw/zinc/72/14/23/177721423.db2.gz BCRIECZRUAGVHD-UHFFFAOYSA-N 0 0 240.262 2.596 50 0 BFAARN CCOC(=O)/C=C/c1cc(C)ccc1F ZINC000083291634 388653063 /nfs/dbraw/zinc/65/30/63/388653063.db2.gz KEWRZVAYJLEMSN-FNORWQNLSA-N 0 0 208.232 2.710 50 0 BFAARN CC[C@H]1CCCCCN1C(=O)[C@@H]1CCCOC1 ZINC000089948270 388742427 /nfs/dbraw/zinc/74/24/27/388742427.db2.gz JAZYCAXUYWLUOE-OLZOCXBDSA-N 0 0 239.359 2.594 50 0 BFAARN Cc1nc(SCc2cnc(Cl)s2)n[nH]1 ZINC000079016451 388742674 /nfs/dbraw/zinc/74/26/74/388742674.db2.gz QDNQDRCZZDWQBC-UHFFFAOYSA-N 0 0 246.748 2.515 50 0 BFAARN Cc1csc(CNc2cncc(F)c2)n1 ZINC000300970343 388753451 /nfs/dbraw/zinc/75/34/51/388753451.db2.gz WUZVKQHEIWKTMK-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN COc1cccc(NN=C(C)c2ccc[nH]2)c1 ZINC000254353150 388687733 /nfs/dbraw/zinc/68/77/33/388687733.db2.gz UQAJGNAJWXVDNE-UHFFFAOYSA-N 0 0 229.283 2.859 50 0 BFAARN O=C([O-])CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000116343796 388710034 /nfs/dbraw/zinc/71/00/34/388710034.db2.gz IEZAGVMTLXHJPZ-CQSZACIVSA-N 0 0 247.338 2.558 50 0 BFAARN O=C(/C=C/c1ccoc1)NCCc1ccsc1 ZINC000096120204 388811301 /nfs/dbraw/zinc/81/13/01/388811301.db2.gz YXFGPQRVUUJBJL-OWOJBTEDSA-N 0 0 247.319 2.713 50 0 BFAARN CC[C@H](c1ccccc1)[S@](=O)CCCOC ZINC000095411034 388767809 /nfs/dbraw/zinc/76/78/09/388767809.db2.gz LPUAGHXCLJHSTB-CJNGLKHVSA-N 0 0 240.368 2.923 50 0 BFAARN CC(C)CSCCCNC(=O)C1CCC1 ZINC000095440560 388771654 /nfs/dbraw/zinc/77/16/54/388771654.db2.gz DBIUKBVZAFYVDZ-UHFFFAOYSA-N 0 0 229.389 2.682 50 0 BFAARN Cc1ccc(CNc2ccc(F)nc2)o1 ZINC000095431154 388771765 /nfs/dbraw/zinc/77/17/65/388771765.db2.gz QFYGXNBPGYMCQP-UHFFFAOYSA-N 0 0 206.220 2.734 50 0 BFAARN CC(C)[C@H]1CCc2ccccc2N1CCCO ZINC000095446838 388773051 /nfs/dbraw/zinc/77/30/51/388773051.db2.gz MVMNRICVSGPJMV-CQSZACIVSA-N 0 0 233.355 2.846 50 0 BFAARN O=C(/C=C\c1ccccc1F)NCC(F)(F)F ZINC000096305095 388814957 /nfs/dbraw/zinc/81/49/57/388814957.db2.gz LDLBKIUJTFTZQS-WAYWQWQTSA-N 0 0 247.191 2.517 50 0 BFAARN COc1ccc(SCC(C)(C)O)cc1OC ZINC000096418759 388818430 /nfs/dbraw/zinc/81/84/30/388818430.db2.gz IHEUNTLQTHTUCT-UHFFFAOYSA-N 0 0 242.340 2.567 50 0 BFAARN C[C@](O)(CNc1ncccc1F)C1CCCC1 ZINC000096460540 388820574 /nfs/dbraw/zinc/82/05/74/388820574.db2.gz FTFCBGPPKMZIPK-ZDUSSCGKSA-N 0 0 238.306 2.574 50 0 BFAARN CCCCNc1nc(-c2cccc(OC)c2)no1 ZINC000021922486 388822613 /nfs/dbraw/zinc/82/26/13/388822613.db2.gz PJPMJCAQKZBAOI-UHFFFAOYSA-N 0 0 247.298 2.957 50 0 BFAARN CO[C@H]1CCC[C@H](OC(=O)CC(C)(C)C)C1 ZINC000097043844 388830632 /nfs/dbraw/zinc/83/06/32/388830632.db2.gz IHIGGSOXCMITHM-QWRGUYRKSA-N 0 0 228.332 2.923 50 0 BFAARN CCc1ccccc1C(=O)OC1CCOCC1 ZINC000097032006 388831051 /nfs/dbraw/zinc/83/10/51/388831051.db2.gz DERKFPKEAIMYFQ-UHFFFAOYSA-N 0 0 234.295 2.585 50 0 BFAARN CC(=O)c1ccc(F)cc1NC(=O)C1CC=CC1 ZINC000097107026 388833449 /nfs/dbraw/zinc/83/34/49/388833449.db2.gz AKKDZSUTGDCWFT-UHFFFAOYSA-N 0 0 247.269 2.933 50 0 BFAARN Cc1cc(-c2nc(-c3cccs3)no2)n(C)n1 ZINC000069705205 177689181 /nfs/dbraw/zinc/68/91/81/177689181.db2.gz LSCUFHGYMURPEO-UHFFFAOYSA-N 0 0 246.295 2.507 50 0 BFAARN CC(=O)Nc1ccc(Br)c(C)c1F ZINC000194793139 388885288 /nfs/dbraw/zinc/88/52/88/388885288.db2.gz KVCDUBLCKFWIGX-UHFFFAOYSA-N 0 0 246.079 2.855 50 0 BFAARN Cc1cc(-c2cccc(C=O)c2)sn1 ZINC000091696000 177685537 /nfs/dbraw/zinc/68/55/37/177685537.db2.gz IQJYCRMKKIXHEK-UHFFFAOYSA-N 0 0 203.266 2.931 50 0 BFAARN C[C@@H]1CN(c2ccccn2)CCC1(F)F ZINC000291193209 132218035 /nfs/dbraw/zinc/21/80/35/132218035.db2.gz SYITZAQJCDTKLN-SECBINFHSA-N 0 0 212.243 2.563 50 0 BFAARN C[C@@]12CCN(c3ccccn3)C[C@@H]1C2(F)F ZINC000291993516 132218502 /nfs/dbraw/zinc/21/85/02/132218502.db2.gz QRMCIJSYZKQQFU-GXSJLCMTSA-N 0 0 224.254 2.563 50 0 BFAARN c1ccc2c(c1)nncc2N1CCCCC1 ZINC000041123490 132296545 /nfs/dbraw/zinc/29/65/45/132296545.db2.gz AZIPZWKZCFUTLU-UHFFFAOYSA-N 0 0 213.284 2.620 50 0 BFAARN CN1c2ccccc2C(C)(C)C(C)(C)C1=O ZINC000071773716 132303018 /nfs/dbraw/zinc/30/30/18/132303018.db2.gz ZHQQVANLJMMNGW-UHFFFAOYSA-N 0 0 217.312 2.967 50 0 BFAARN CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000000146920 132312914 /nfs/dbraw/zinc/31/29/14/132312914.db2.gz HRQOQSWMKUGORD-UHFFFAOYSA-N 0 0 218.300 2.635 50 0 BFAARN Oc1cccc2ccc(N3CCCCC3)nc12 ZINC000000235874 132313197 /nfs/dbraw/zinc/31/31/97/132313197.db2.gz MMMWXCLCXPKPSW-UHFFFAOYSA-N 0 0 228.295 2.931 50 0 BFAARN CN1c2ccccc2C(=O)N[C@@H]1c1ccsc1 ZINC000008744611 132319136 /nfs/dbraw/zinc/31/91/36/132319136.db2.gz KDINDEGTUAULHF-LBPRGKRZSA-N 0 0 244.319 2.627 50 0 BFAARN Cc1ccc(C(=O)N2CCOc3ccccc32)o1 ZINC000025312505 132333152 /nfs/dbraw/zinc/33/31/52/132333152.db2.gz ITFHEUNXLPVJQX-UHFFFAOYSA-N 0 0 243.262 2.627 50 0 BFAARN CC1CCN(c2cccc(Cl)n2)CC1 ZINC000032908964 132335611 /nfs/dbraw/zinc/33/56/11/132335611.db2.gz UKLNEVJHAPFUJC-UHFFFAOYSA-N 0 0 210.708 2.971 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)N1CCSc2ccccc21 ZINC000032997911 132335851 /nfs/dbraw/zinc/33/58/51/132335851.db2.gz ADUTZESNAHBXLO-UWVGGRQHSA-N 0 0 233.336 2.781 50 0 BFAARN Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000035341760 132338168 /nfs/dbraw/zinc/33/81/68/132338168.db2.gz JGNMWWCORPDOBC-UHFFFAOYSA-N 0 0 227.311 2.807 50 0 BFAARN CC[C@@H]1CCCCN1c1cc(Cl)ncn1 ZINC000042783518 132352576 /nfs/dbraw/zinc/35/25/76/132352576.db2.gz ZCNVCNQVGGQFDZ-SECBINFHSA-N 0 0 225.723 2.899 50 0 BFAARN CC[C@H]1CN(C(C)=O)c2cc(Cl)ccc2O1 ZINC000064554748 132389720 /nfs/dbraw/zinc/38/97/20/132389720.db2.gz KGLHSLBSCMNBTH-JTQLQIEISA-N 0 0 239.702 2.864 50 0 BFAARN c1ccc(-c2ccnc(N3CCCCC3)n2)nc1 ZINC000071286356 132392227 /nfs/dbraw/zinc/39/22/27/132392227.db2.gz XOHLZHFCPNMUME-UHFFFAOYSA-N 0 0 240.310 2.529 50 0 BFAARN Clc1cc(N2CCCCC2)c(Cl)nn1 ZINC000000271975 132441728 /nfs/dbraw/zinc/44/17/28/132441728.db2.gz JGSDXYKPYCBWRI-UHFFFAOYSA-N 0 0 232.114 2.774 50 0 BFAARN CC(C)CCNC(=O)Cc1ccc(F)cc1 ZINC000047650745 166847531 /nfs/dbraw/zinc/84/75/31/166847531.db2.gz QNNLVUYFWGVJKT-UHFFFAOYSA-N 0 0 223.291 2.531 50 0 BFAARN COc1ccc2c(Cl)ccnc2c1OC ZINC000001591527 133443005 /nfs/dbraw/zinc/44/30/05/133443005.db2.gz CILQDBAXEWYDIH-UHFFFAOYSA-N 0 0 223.659 2.905 50 0 BFAARN CCC1(CC)NC(=O)N(c2ccc(C)c(C)c2)N1 ZINC000334160979 134160038 /nfs/dbraw/zinc/16/00/38/134160038.db2.gz PZOXNSRWWKXATL-UHFFFAOYSA-N 0 0 247.342 2.854 50 0 BFAARN CC(C)[C@H]1C[C@H](C)CC[C@@H]1O[C@@H]1C=CC(=O)O1 ZINC000169615782 134251393 /nfs/dbraw/zinc/25/13/93/134251393.db2.gz CLAZQKKQQKBAAC-NMKXLXIOSA-N 0 0 238.327 2.903 50 0 BFAARN CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCSC2)CC1 ZINC000408514298 134808604 /nfs/dbraw/zinc/80/86/04/134808604.db2.gz KGRDWAJFHJHSET-IJLUTSLNSA-N 0 0 241.400 2.825 50 0 BFAARN Cc1ccc(N2CCC[C@@H](OCC3CC3)C2)nc1 ZINC000408514188 134808748 /nfs/dbraw/zinc/80/87/48/134808748.db2.gz KMALSKFADODNQE-CQSZACIVSA-N 0 0 246.354 2.785 50 0 BFAARN C[C@H](Nc1ccc(F)cc1)c1cnccn1 ZINC000070024510 134908242 /nfs/dbraw/zinc/90/82/42/134908242.db2.gz JJUQVFNDXVLXKG-VIFPVBQESA-N 0 0 217.247 2.789 50 0 BFAARN CC[C@H]1CCCCN1C(=O)[C@H]1CCCSC1 ZINC000082318483 134951915 /nfs/dbraw/zinc/95/19/15/134951915.db2.gz GQWMKYGMYMQBBP-RYUDHWBXSA-N 0 0 241.400 2.921 50 0 BFAARN CCC1(CC)CCC[N@H+](CCC(=O)[O-])CC1 ZINC000261586313 135227452 /nfs/dbraw/zinc/22/74/52/135227452.db2.gz QZWXZYIGLNOKAB-UHFFFAOYSA-N 0 0 227.348 2.753 50 0 BFAARN CCCc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000263442862 135354208 /nfs/dbraw/zinc/35/42/08/135354208.db2.gz XAXMHEODDFCREF-CQSZACIVSA-N 0 0 247.338 2.688 50 0 BFAARN Cc1[nH]ccc1C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000089536749 135537860 /nfs/dbraw/zinc/53/78/60/135537860.db2.gz BZXOJSJAJABOGG-AAEUAGOBSA-N 0 0 232.327 2.728 50 0 BFAARN Cc1ncsc1NC(=O)C1(CF)CCC1 ZINC000335394920 136092362 /nfs/dbraw/zinc/09/23/62/136092362.db2.gz HCWVZAKQWUPLOU-UHFFFAOYSA-N 0 0 228.292 2.530 50 0 BFAARN Cn1cc(-c2csc(-c3ccncc3)n2)cn1 ZINC000098013120 397804573 /nfs/dbraw/zinc/80/45/73/397804573.db2.gz DXAWJLUUWVFVEL-UHFFFAOYSA-N 0 0 242.307 2.606 50 0 BFAARN C[Si](C)(c1cccs1)c1cccs1 ZINC000169744962 397813641 /nfs/dbraw/zinc/81/36/41/397813641.db2.gz RPCHUCVMGSCQMP-UHFFFAOYSA-N 0 0 224.426 2.632 50 0 BFAARN Cc1ccc(C(=O)Nc2cccc(C)n2)o1 ZINC000005936121 397951275 /nfs/dbraw/zinc/95/12/75/397951275.db2.gz PLDNBJZGHFXMHC-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN C[C@@H](NC(=O)c1ccc(F)cc1)c1ccccn1 ZINC000012545334 397905079 /nfs/dbraw/zinc/90/50/79/397905079.db2.gz XBQZKVCYMCJALN-SNVBAGLBSA-N 0 0 244.269 2.712 50 0 BFAARN CC(=O)[C@@H](C(=O)Nc1ccc(C)cc1)C(C)C ZINC000000432868 397914662 /nfs/dbraw/zinc/91/46/62/397914662.db2.gz KAURRZCGULMSQK-ZDUSSCGKSA-N 0 0 233.311 2.795 50 0 BFAARN C[C@H](NC(=O)c1cccs1)c1ccccn1 ZINC000028781359 397991831 /nfs/dbraw/zinc/99/18/31/397991831.db2.gz TXAISZHPLNMGPR-VIFPVBQESA-N 0 0 232.308 2.634 50 0 BFAARN CSCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000032819605 397986562 /nfs/dbraw/zinc/98/65/62/397986562.db2.gz KDTVQBRNAXGWIK-RYUDHWBXSA-N 0 0 241.400 2.921 50 0 BFAARN Cc1ccc(C)c(CNc2ncccn2)c1 ZINC000083347520 398067705 /nfs/dbraw/zinc/06/77/05/398067705.db2.gz BUGYWFHIQOZEBS-UHFFFAOYSA-N 0 0 213.284 2.706 50 0 BFAARN O=Cc1cn(-c2ccccc2)nc1C(F)(F)F ZINC000066322714 398091055 /nfs/dbraw/zinc/09/10/55/398091055.db2.gz DGUGDTFAUNHHAS-UHFFFAOYSA-N 0 0 240.184 2.704 50 0 BFAARN COC(=O)[C@@H](NCC=C(C)C)c1ccsc1 ZINC000192007638 398131701 /nfs/dbraw/zinc/13/17/01/398131701.db2.gz FFBPIPCQOGJRMN-NSHDSACASA-N 0 0 239.340 2.518 50 0 BFAARN CC(C)CNC(=S)N1CCc2ccccc21 ZINC000013838861 167001893 /nfs/dbraw/zinc/00/18/93/167001893.db2.gz UYTJNLDZMMTQAU-UHFFFAOYSA-N 0 0 234.368 2.580 50 0 BFAARN CC(C)NC(=O)Oc1ccc(Cl)cc1 ZINC000000384815 167079584 /nfs/dbraw/zinc/07/95/84/167079584.db2.gz AUMPWFFCWSTSRG-UHFFFAOYSA-N 0 0 213.664 2.837 50 0 BFAARN CC[C@@H](C)NC(=O)CCc1ccc(C)cc1 ZINC000010328050 487588717 /nfs/dbraw/zinc/58/87/17/487588717.db2.gz UBLACGKAKTXZCT-GFCCVEGCSA-N 0 0 219.328 2.842 50 0 BFAARN CC(C)OC[C@@H](O)CSCc1ccccc1 ZINC000002874931 167262962 /nfs/dbraw/zinc/26/29/62/167262962.db2.gz FLECVQUDZRZHPP-CYBMUJFWSA-N 0 0 240.368 2.706 50 0 BFAARN Brc1ccc(-c2ncc[nH]2)cc1 ZINC000036377917 166097314 /nfs/dbraw/zinc/09/73/14/166097314.db2.gz IRIGPPDONXVEHU-UHFFFAOYSA-N 0 0 223.073 2.839 50 0 BFAARN Brc1ccc(C2COC2)cc1 ZINC000095630827 166097342 /nfs/dbraw/zinc/09/73/42/166097342.db2.gz NASAZXLCAPUVRH-UHFFFAOYSA-N 0 0 213.074 2.563 50 0 BFAARN Brc1ccc2c(c1)SCCN2 ZINC000090399879 166099435 /nfs/dbraw/zinc/09/94/35/166099435.db2.gz QWWYGAWGUCQKDL-UHFFFAOYSA-N 0 0 230.130 2.967 50 0 BFAARN CCN(C(=O)[C@H](C)OCC1CC1)C1CCCC1 ZINC000119615149 410139202 /nfs/dbraw/zinc/13/92/02/410139202.db2.gz LJNDZDNEABVVLU-NSHDSACASA-N 0 0 239.359 2.593 50 0 BFAARN Brc1cccc(C2COC2)c1 ZINC000066309153 166101775 /nfs/dbraw/zinc/10/17/75/166101775.db2.gz IKNHAXGIHOUCCX-UHFFFAOYSA-N 0 0 213.074 2.563 50 0 BFAARN CCN(CC)C(=O)C1(c2ccccc2)CC1 ZINC000041501319 169745080 /nfs/dbraw/zinc/74/50/80/169745080.db2.gz GZRLXVALQIMSFP-UHFFFAOYSA-N 0 0 217.312 2.587 50 0 BFAARN CCN(CC)C(=O)/C=C\c1cccs1 ZINC000033422203 169744239 /nfs/dbraw/zinc/74/42/39/169744239.db2.gz RYIFJSIMZYLDPS-FPLPWBNLSA-N 0 0 209.314 2.630 50 0 BFAARN CC(=O)c1cc(-n2ncc3cccnc32)cs1 ZINC000065404730 166440486 /nfs/dbraw/zinc/44/04/86/166440486.db2.gz BAQGQDLRBWZUFJ-UHFFFAOYSA-N 0 0 243.291 2.685 50 0 BFAARN CC(=O)c1cc(C)cc(Br)c1 ZINC000084478647 166443590 /nfs/dbraw/zinc/44/35/90/166443590.db2.gz QDCCNYXYTIETKO-UHFFFAOYSA-N 0 0 213.074 2.960 50 0 BFAARN CCN(CC)C(=O)c1ccc2ccccc2n1 ZINC000000858499 169761100 /nfs/dbraw/zinc/76/11/00/169761100.db2.gz KOHAGEXLVIIGNU-UHFFFAOYSA-N 0 0 228.295 2.717 50 0 BFAARN CC(C)(C)C(=O)Nc1ncccc1Cl ZINC000123772708 166535662 /nfs/dbraw/zinc/53/56/62/166535662.db2.gz HHGRYBJCZLWBBB-UHFFFAOYSA-N 0 0 212.680 2.720 50 0 BFAARN CC(C)(C)Nc1ncnc2ccccc21 ZINC000005520722 166640089 /nfs/dbraw/zinc/64/00/89/166640089.db2.gz PMIVDVXNMLOJNN-UHFFFAOYSA-N 0 0 201.273 2.840 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2ccccc2C1 ZINC000034469617 166654647 /nfs/dbraw/zinc/65/46/47/166654647.db2.gz HTDOHIVUPFBSNR-UHFFFAOYSA-N 0 0 233.311 2.980 50 0 BFAARN CC(C)(C)[C@@H](O)/C=C/c1ccc2c(c1)OCO2 ZINC000000000724 166697885 /nfs/dbraw/zinc/69/78/85/166697885.db2.gz IBLNKMRFIPWSOY-IYNGYCSASA-N 0 0 234.295 2.836 50 0 world BFAARN CC(C)C(=O)N1CCc2cc3ccccc3nc21 ZINC000015841728 166711341 /nfs/dbraw/zinc/71/13/41/166711341.db2.gz RAVRTLPUBNFQJZ-UHFFFAOYSA-N 0 0 240.306 2.780 50 0 BFAARN CC(C)CC(=O)Nc1ccc2c[nH]nc2c1 ZINC000029371072 166774003 /nfs/dbraw/zinc/77/40/03/166774003.db2.gz LKHBXMMJSLCIDR-UHFFFAOYSA-N 0 0 217.272 2.548 50 0 BFAARN CC/C=C(\C)C(=O)N[C@@H](C)Cc1ccco1 ZINC000101395774 410768995 /nfs/dbraw/zinc/76/89/95/410768995.db2.gz LFOFZKBLJQIFMX-RUYJGKKWSA-N 0 0 221.300 2.683 50 0 BFAARN CC(C)CCNc1ccc([S@](C)=O)cc1 ZINC000225413666 166868368 /nfs/dbraw/zinc/86/83/68/166868368.db2.gz DRBFCOCMFNIHQB-HNNXBMFYSA-N 0 0 225.357 2.882 50 0 BFAARN Cc1ccc(CN(C)C(=O)c2ccc(C)o2)o1 ZINC000040459512 410874059 /nfs/dbraw/zinc/87/40/59/410874059.db2.gz YGFLONMAWUYIBR-UHFFFAOYSA-N 0 0 233.267 2.762 50 0 BFAARN CC(C)NC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000098013981 167070392 /nfs/dbraw/zinc/07/03/92/167070392.db2.gz UVECLDMXYCFSDX-CQSZACIVSA-N 0 0 246.354 2.669 50 0 BFAARN CC(C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000012382574 167082249 /nfs/dbraw/zinc/08/22/49/167082249.db2.gz AFDCWGYQGKAXDH-SECBINFHSA-N 0 0 241.718 2.632 50 0 BFAARN CC(C)NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000042737238 167086066 /nfs/dbraw/zinc/08/60/66/167086066.db2.gz HLUAUKHBIWLBND-UHFFFAOYSA-N 0 0 249.358 2.654 50 0 BFAARN CC(C)NC(=O)c1csc(-c2ccccc2)n1 ZINC000017300973 167089385 /nfs/dbraw/zinc/08/93/85/167089385.db2.gz OFRRORZBMMNFSM-UHFFFAOYSA-N 0 0 246.335 2.948 50 0 BFAARN CC(C)Nc1c(Cl)cccc1NCCCO ZINC000095965300 167141930 /nfs/dbraw/zinc/14/19/30/167141930.db2.gz XUOGWHJOQBJXQF-UHFFFAOYSA-N 0 0 242.750 2.955 50 0 BFAARN CC(C)Nc1cc(-c2ccccc2)ncn1 ZINC000006256366 167142388 /nfs/dbraw/zinc/14/23/88/167142388.db2.gz CENVUXUNOLLJSO-UHFFFAOYSA-N 0 0 213.284 2.964 50 0 BFAARN CC(C)Nc1ccc(Br)cn1 ZINC000021508552 167144914 /nfs/dbraw/zinc/14/49/14/167144914.db2.gz UMZUXTPLNJIIJU-UHFFFAOYSA-N 0 0 215.094 2.664 50 0 BFAARN CC(C)OC[C@H](O)CSCc1ccccc1 ZINC000002874930 167269088 /nfs/dbraw/zinc/26/90/88/167269088.db2.gz FLECVQUDZRZHPP-ZDUSSCGKSA-N 0 0 240.368 2.706 50 0 BFAARN CC(C)Oc1cc(Br)ccc1N ZINC000040571676 167283699 /nfs/dbraw/zinc/28/36/99/167283699.db2.gz LHQVHOZQUWBMDO-UHFFFAOYSA-N 0 0 230.105 2.819 50 0 BFAARN CC(C)Oc1cccc(-c2ccc[nH]c2=O)c1 ZINC000065489095 167303744 /nfs/dbraw/zinc/30/37/44/167303744.db2.gz NFNCCFKOVQLBRZ-UHFFFAOYSA-N 0 0 229.279 2.829 50 0 BFAARN CC(C)Oc1cccc(-n2ccnc2)c1 ZINC000065373941 167305403 /nfs/dbraw/zinc/30/54/03/167305403.db2.gz CTDYZURRUVAXCM-UHFFFAOYSA-N 0 0 202.257 2.660 50 0 BFAARN CC(C)SCc1nc(N)c2ccccc2n1 ZINC000078555658 167335000 /nfs/dbraw/zinc/33/50/00/167335000.db2.gz MBRWCCLPGBHWTF-UHFFFAOYSA-N 0 0 233.340 2.854 50 0 BFAARN CC(C)S[C@H](C)C(=O)NCc1cccs1 ZINC000084622353 167335818 /nfs/dbraw/zinc/33/58/18/167335818.db2.gz SUGVWXYPUSNHLV-SECBINFHSA-N 0 0 243.397 2.894 50 0 BFAARN CC(C)Sc1ccccc1NC(N)=O ZINC000098020380 167338027 /nfs/dbraw/zinc/33/80/27/167338027.db2.gz JMNHFNZOQMCQHZ-UHFFFAOYSA-N 0 0 210.302 2.678 50 0 BFAARN CC(C)Sc1nnc(-c2ccccc2)n1C ZINC000006346098 167338276 /nfs/dbraw/zinc/33/82/76/167338276.db2.gz UDPLJVUCUWJIKV-UHFFFAOYSA-N 0 0 233.340 2.983 50 0 BFAARN CC(C)[C@@H](C)NC(=O)CCc1ccccc1F ZINC000040016047 167373678 /nfs/dbraw/zinc/37/36/78/167373678.db2.gz UZIHCJUATATYNH-LLVKDONJSA-N 0 0 237.318 2.919 50 0 BFAARN CC(C)[C@@H](C)NC(=O)NCc1cccs1 ZINC000048406822 167376703 /nfs/dbraw/zinc/37/67/03/167376703.db2.gz YPOKHAIBOWRSPQ-SECBINFHSA-N 0 0 226.345 2.592 50 0 BFAARN CC(C)c1cc(NC(=O)C2CCCC2)n[nH]1 ZINC000049044506 167574006 /nfs/dbraw/zinc/57/40/06/167574006.db2.gz OJHXEPCQZUPXDT-UHFFFAOYSA-N 0 0 221.304 2.662 50 0 BFAARN CC(C)c1cc(NC(=O)c2ccc(F)cc2)n[nH]1 ZINC000049044568 167574659 /nfs/dbraw/zinc/57/46/59/167574659.db2.gz ZROCCBVLHQVNCU-UHFFFAOYSA-N 0 0 247.273 2.925 50 0 BFAARN CC(C)CNC(=O)CSCc1cccs1 ZINC000044867940 411141120 /nfs/dbraw/zinc/14/11/20/411141120.db2.gz PEFZYYNQDHVGIM-UHFFFAOYSA-N 0 0 243.397 2.754 50 0 BFAARN CC/C=C(\C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000047667990 411163542 /nfs/dbraw/zinc/16/35/42/411163542.db2.gz PHEJGVNJRUBKHC-ASJRZHAZSA-N 0 0 245.322 2.983 50 0 BFAARN Cc1cc(C)cc(NC=C2CCOC2=O)c1 ZINC000108705754 411147031 /nfs/dbraw/zinc/14/70/31/411147031.db2.gz RNFHEJOZWKTMMR-DHZHZOJOSA-N 0 0 217.268 2.546 50 0 BFAARN CCCc1noc(CN(C)[C@@H](C)CC(C)C)n1 ZINC000045823327 411149091 /nfs/dbraw/zinc/14/90/91/411149091.db2.gz YOZXGDPFLHVCNG-NSHDSACASA-N 0 0 239.363 2.889 50 0 BFAARN c1ccc(CNc2cnnc3ccccc32)nc1 ZINC000046087270 411156756 /nfs/dbraw/zinc/15/67/56/411156756.db2.gz LTOQHDPWQVHEHY-UHFFFAOYSA-N 0 0 236.278 2.637 50 0 BFAARN CC(C)c1nnc(NCc2ccc(F)cc2)o1 ZINC000096494337 167712934 /nfs/dbraw/zinc/71/29/34/167712934.db2.gz VCHGCWBPRZOCCH-UHFFFAOYSA-N 0 0 235.262 2.944 50 0 BFAARN CC(C)c1cc(NC(=O)c2cccc(F)c2)n[nH]1 ZINC000049044450 411223538 /nfs/dbraw/zinc/22/35/38/411223538.db2.gz FDCCRJOIFFTFFX-UHFFFAOYSA-N 0 0 247.273 2.925 50 0 BFAARN CCN(CC)c1nc(C)nc2ccccc21 ZINC000000337633 169805642 /nfs/dbraw/zinc/80/56/42/169805642.db2.gz MQUFDVBSDSPMEU-UHFFFAOYSA-N 0 0 215.300 2.784 50 0 BFAARN CC/C=C/CCOC(=O)c1ccccc1O ZINC000005761898 167847451 /nfs/dbraw/zinc/84/74/51/167847451.db2.gz IEPWIPZLLIOZLU-ONEGZZNKSA-N 0 0 220.268 2.905 50 0 BFAARN CC/C=C\C(=O)O[C@H](C)C(=O)Nc1ccccc1 ZINC000096871547 167857282 /nfs/dbraw/zinc/85/72/82/167857282.db2.gz RHYAVEIZPBVVQZ-NEOSZVFXSA-N 0 0 247.294 2.523 50 0 BFAARN CC(=O)c1c(=O)cc(C)oc1Nc1ccccc1 ZINC000006659627 411283592 /nfs/dbraw/zinc/28/35/92/411283592.db2.gz BSPXJDOZHUUCLT-UHFFFAOYSA-N 0 0 243.262 2.894 50 0 BFAARN CC1(C)CC(=O)C[C@@H]1CCC1(C)OCCO1 ZINC000045071726 168021714 /nfs/dbraw/zinc/02/17/14/168021714.db2.gz JBORCXOOPWLMIP-JTQLQIEISA-N 0 0 226.316 2.535 50 0 BFAARN CC1=C(Cl)C=C[C@H](C(C)(C)C)C(=O)N1 ZINC000045028132 168088804 /nfs/dbraw/zinc/08/88/04/168088804.db2.gz AYJRZQOAXIUEHV-QMMMGPOBSA-N 0 0 213.708 2.805 50 0 BFAARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)C2=O ZINC000001837285 168092087 /nfs/dbraw/zinc/09/20/87/168092087.db2.gz RDLYBUUOPNXVDW-UHFFFAOYSA-N 0 0 241.290 2.720 50 0 biogenic BFAARN CC1CCN(C(=O)CSC2CCCC2)CC1 ZINC000032910030 168172909 /nfs/dbraw/zinc/17/29/09/168172909.db2.gz DHGFSTPNSBQPMC-UHFFFAOYSA-N 0 0 241.400 2.921 50 0 BFAARN CC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000000209909 168175317 /nfs/dbraw/zinc/17/53/17/168175317.db2.gz WURIROSRKBPVMF-UHFFFAOYSA-N 0 0 219.284 2.917 50 0 BFAARN CC1CCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000036804052 168176225 /nfs/dbraw/zinc/17/62/25/168176225.db2.gz VDBFOMOSBVHCCQ-UHFFFAOYSA-N 0 0 238.718 2.607 50 0 BFAARN CC1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000009237175 168184121 /nfs/dbraw/zinc/18/41/21/168184121.db2.gz DOQZFLXNYNDVGT-UHFFFAOYSA-N 0 0 233.311 2.617 50 0 BFAARN CC(C)c1noc([C@@H](C)N2CCC(C)CC2)n1 ZINC000044583976 168186975 /nfs/dbraw/zinc/18/69/75/168186975.db2.gz PJAWCZRHBOXDIV-LLVKDONJSA-N 0 0 237.347 2.986 50 0 BFAARN CCC(=O)N(Cc1ccccc1)C(C)C ZINC000009720552 168214248 /nfs/dbraw/zinc/21/42/48/168214248.db2.gz HOCOMNPGEXJGDQ-UHFFFAOYSA-N 0 0 205.301 2.834 50 0 BFAARN CCC(=O)NC(=S)Nc1c(C)cccc1C ZINC000000341960 168227433 /nfs/dbraw/zinc/22/74/33/168227433.db2.gz WYQYLOOFIRNJBM-UHFFFAOYSA-N 0 0 236.340 2.526 50 0 BFAARN CCC(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000071384773 168228023 /nfs/dbraw/zinc/22/80/23/168228023.db2.gz FBMCKMLHQRVCNM-UHFFFAOYSA-N 0 0 249.354 2.933 50 0 BFAARN CCC(=O)NC[C@@H](CC)c1ccccc1 ZINC000084733596 168230199 /nfs/dbraw/zinc/23/01/99/168230199.db2.gz PFOIGHSPUCPDKP-LLVKDONJSA-N 0 0 205.301 2.706 50 0 BFAARN CCC(=O)N[C@@H](C)Cc1c[nH]c2ccccc12 ZINC000000192494 168234465 /nfs/dbraw/zinc/23/44/65/168234465.db2.gz MHMOEPVGEPQEEV-JTQLQIEISA-N 0 0 230.311 2.625 50 0 biogenic BFAARN CCC(=O)NCc1csc(-c2ccccc2)n1 ZINC000015832427 168235149 /nfs/dbraw/zinc/23/51/49/168235149.db2.gz IOFUPGVFLVJALJ-UHFFFAOYSA-N 0 0 246.335 2.836 50 0 BFAARN CCC(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000078826193 168236557 /nfs/dbraw/zinc/23/65/57/168236557.db2.gz GJABGNOSZRTKOM-ZDUSSCGKSA-N 0 0 217.312 2.534 50 0 BFAARN CCC(=O)N[C@H](C)CCc1ccccc1 ZINC000000375369 168238645 /nfs/dbraw/zinc/23/86/45/168238645.db2.gz ASEOMIRZIMEYSQ-LLVKDONJSA-N 0 0 205.301 2.534 50 0 BFAARN CCC(=O)Nc1ccc(C)c(O[C@@H]2CCOC2)c1 ZINC000095408071 168243670 /nfs/dbraw/zinc/24/36/70/168243670.db2.gz RUOZTUYLUSYWRW-GFCCVEGCSA-N 0 0 249.310 2.511 50 0 BFAARN CCC(=O)Nc1ccc(C)c(NC(=O)CC)c1 ZINC000001722865 168244275 /nfs/dbraw/zinc/24/42/75/168244275.db2.gz DIDYEHWDLGMFQN-UHFFFAOYSA-N 0 0 234.299 2.692 50 0 BFAARN CCC(=O)Nc1cccc(NC(=O)C(C)C)c1C ZINC000026031264 168245699 /nfs/dbraw/zinc/24/56/99/168245699.db2.gz OAVQDDAJWQPJER-UHFFFAOYSA-N 0 0 248.326 2.938 50 0 BFAARN CCC(=O)Nc1cccc(OC(C)C)c1 ZINC000008722919 168245705 /nfs/dbraw/zinc/24/57/05/168245705.db2.gz QDMCRCYOUXGLAY-UHFFFAOYSA-N 0 0 207.273 2.822 50 0 BFAARN CCC(=O)Nc1ccc2nc(C)sc2c1 ZINC000004867979 168246259 /nfs/dbraw/zinc/24/62/59/168246259.db2.gz ZGAMJVBNVJWYDG-UHFFFAOYSA-N 0 0 220.297 2.953 50 0 BFAARN CCC(=O)Nc1ccccc1N1CCCC1 ZINC000000569800 168247385 /nfs/dbraw/zinc/24/73/85/168247385.db2.gz HROIRDIZDHWFIP-UHFFFAOYSA-N 0 0 218.300 2.635 50 0 BFAARN CCC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000000387306 168248177 /nfs/dbraw/zinc/24/81/77/168248177.db2.gz VMLKNOFMFOHRJJ-UHFFFAOYSA-N 0 0 233.296 2.554 50 0 BFAARN CCC(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000058370795 168248542 /nfs/dbraw/zinc/24/85/42/168248542.db2.gz UMWSIDSMXOGVEW-UHFFFAOYSA-N 0 0 242.250 2.923 50 0 BFAARN CCC(=O)Nc1nc(-c2cccc(O)c2)cs1 ZINC000095960894 168248640 /nfs/dbraw/zinc/24/86/40/168248640.db2.gz GQTIWVRYGKFVRT-UHFFFAOYSA-N 0 0 248.307 2.864 50 0 BFAARN CCC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072208687 168253815 /nfs/dbraw/zinc/25/38/15/168253815.db2.gz ULEXMXPJOTZHNL-SNVBAGLBSA-N 0 0 241.331 2.755 50 0 BFAARN CCC(=O)c1ccc(Oc2cnccn2)cc1 ZINC000004108352 168258028 /nfs/dbraw/zinc/25/80/28/168258028.db2.gz HDQKKQXUFYFBNL-UHFFFAOYSA-N 0 0 228.251 2.862 50 0 BFAARN CCC(C)(C)NC(=O)COc1ccc(F)cc1 ZINC000042369502 168291079 /nfs/dbraw/zinc/29/10/79/168291079.db2.gz HNGNFRVPPAEXPF-UHFFFAOYSA-N 0 0 239.290 2.509 50 0 BFAARN CCC(C)(C)NC(=O)Cc1cccs1 ZINC000000620393 168291450 /nfs/dbraw/zinc/29/14/50/168291450.db2.gz IQECENZEQWRRST-UHFFFAOYSA-N 0 0 211.330 2.595 50 0 BFAARN CCC(C)(C)NC(=O)c1ccc(N)cc1Cl ZINC000021956820 168296397 /nfs/dbraw/zinc/29/63/97/168296397.db2.gz OKZWALVNLSMRLX-UHFFFAOYSA-N 0 0 240.734 2.841 50 0 BFAARN CCN1C(=O)S/C(=C/c2ccc(C)o2)C1=O ZINC000004695203 169947970 /nfs/dbraw/zinc/94/79/70/169947970.db2.gz XWVNHIHGXYPPGN-RMKNXTFCSA-N 0 0 237.280 2.644 50 0 BFAARN CCN1C[C@@H](COc2cc(C)cc(C)c2)OC1=O ZINC000071773770 170030653 /nfs/dbraw/zinc/03/06/53/170030653.db2.gz QKOVRSSEGHILAS-ZDUSSCGKSA-N 0 0 249.310 2.523 50 0 BFAARN CCN1C[C@H](COc2ccc(C)cc2C)OC1=O ZINC000071773767 170039737 /nfs/dbraw/zinc/03/97/37/170039737.db2.gz UZHHZOLBWNDGLF-GFCCVEGCSA-N 0 0 249.310 2.523 50 0 BFAARN CCNC(=O)N1CCC(c2ccsc2)CC1 ZINC000077103844 170072533 /nfs/dbraw/zinc/07/25/33/170072533.db2.gz JNXOGKMYOGABDI-UHFFFAOYSA-N 0 0 238.356 2.657 50 0 BFAARN CCNC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000003894906 170078911 /nfs/dbraw/zinc/07/89/11/170078911.db2.gz OQLBDNGWXPUYFT-UHFFFAOYSA-N 0 0 236.359 2.522 50 0 BFAARN CCNC(=O)Nc1c(CC)cccc1CC ZINC000000396928 170083756 /nfs/dbraw/zinc/08/37/56/170083756.db2.gz PJNWSAVHMYUWRJ-UHFFFAOYSA-N 0 0 220.316 2.953 50 0 BFAARN CCNC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000396691 170084035 /nfs/dbraw/zinc/08/40/35/170084035.db2.gz IQTZEHBSTDNGCM-UHFFFAOYSA-N 0 0 212.680 2.790 50 0 BFAARN CCNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001098875 170084985 /nfs/dbraw/zinc/08/49/85/170084985.db2.gz FGRDDASXWCZPIQ-UHFFFAOYSA-N 0 0 232.205 2.847 50 0 BFAARN CCNC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000004841752 170089792 /nfs/dbraw/zinc/08/97/92/170089792.db2.gz XOCZVPBOIPGMHD-SECBINFHSA-N 0 0 241.718 2.552 50 0 BFAARN CCNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000004841753 170096462 /nfs/dbraw/zinc/09/64/62/170096462.db2.gz XOCZVPBOIPGMHD-VIFPVBQESA-N 0 0 241.718 2.552 50 0 BFAARN CCNC(=O)c1cc(Br)ccc1C ZINC000083688924 170100386 /nfs/dbraw/zinc/10/03/86/170100386.db2.gz MACCRQSLGRLBEO-UHFFFAOYSA-N 0 0 242.116 2.507 50 0 BFAARN CCNC(=O)c1cccnc1Oc1ccccc1 ZINC000044998635 170104614 /nfs/dbraw/zinc/10/46/14/170104614.db2.gz QEOUGRKEFDKFQO-UHFFFAOYSA-N 0 0 242.278 2.624 50 0 BFAARN CCNC(=S)Nc1cccc(Cl)c1 ZINC000000439684 170106696 /nfs/dbraw/zinc/10/66/96/170106696.db2.gz LLYHIRZDLYSGHC-UHFFFAOYSA-N 0 0 214.721 2.646 50 0 BFAARN CCNc1ccc(N)c(C(F)(F)F)c1 ZINC000020381714 170174531 /nfs/dbraw/zinc/17/45/31/170174531.db2.gz SGZFOKFZGQSKFJ-UHFFFAOYSA-N 0 0 204.195 2.719 50 0 BFAARN CCNc1cnn(-c2ccccc2)c1C ZINC000241316755 170175174 /nfs/dbraw/zinc/17/51/74/170175174.db2.gz LUQBTWXWJKRCEP-UHFFFAOYSA-N 0 0 201.273 2.613 50 0 BFAARN CCNc1snc2cc(OC)c(OC)cc21 ZINC000071773186 170179152 /nfs/dbraw/zinc/17/91/52/170179152.db2.gz IAERQYNSYOQTJR-UHFFFAOYSA-N 0 0 238.312 2.745 50 0 BFAARN CCOC(=O)C=C1CSc2ccccc2N1 ZINC000100213123 170183096 /nfs/dbraw/zinc/18/30/96/170183096.db2.gz ZVUNXUBYWPNSIE-VQHVLOKHSA-N 0 0 235.308 2.651 50 0 BFAARN CCOC(=O)/C=C/c1cn(C)c2ccccc12 ZINC000000336929 170183105 /nfs/dbraw/zinc/18/31/05/170183105.db2.gz HJABZKVWSXXFAN-CMDGGOBGSA-N 0 0 229.279 2.755 50 0 BFAARN CCOC(=O)CCCC(=O)C1CCCCC1 ZINC000002379024 170198809 /nfs/dbraw/zinc/19/88/09/170198809.db2.gz ZKWVCHISJOCZTP-UHFFFAOYSA-N 0 0 226.316 2.869 50 0 BFAARN CCOC(=O)CNc1cc(Cl)cc(Cl)c1 ZINC000000103745 170227442 /nfs/dbraw/zinc/22/74/42/170227442.db2.gz OYHDHOSMXNFGDT-UHFFFAOYSA-N 0 0 248.109 2.968 50 0 BFAARN CCOC(=O)CNc1cccc(C(C)(F)F)c1 ZINC000187588421 170227603 /nfs/dbraw/zinc/22/76/03/170227603.db2.gz SUZUQHZGZTUDRT-UHFFFAOYSA-N 0 0 243.253 2.773 50 0 BFAARN CCOC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000015443449 170235224 /nfs/dbraw/zinc/23/52/24/170235224.db2.gz BDVKGYOFECBKDX-UHFFFAOYSA-N 0 0 232.201 2.811 50 0 BFAARN CCOC(=O)N1CCO[C@@H](c2ccccc2C)C1 ZINC000041395510 170240145 /nfs/dbraw/zinc/24/01/45/170240145.db2.gz AHTUEDVZTOHLLE-CYBMUJFWSA-N 0 0 249.310 2.525 50 0 BFAARN CCOC(=O)NCc1ccc(Cl)cc1 ZINC000000442397 170242526 /nfs/dbraw/zinc/24/25/26/170242526.db2.gz AZBJTDJSYADOEC-UHFFFAOYSA-N 0 0 213.664 2.586 50 0 BFAARN CCOC(=O)Nc1ccc(OCC)cc1 ZINC000000242828 170244064 /nfs/dbraw/zinc/24/40/64/170244064.db2.gz RTAWHUYTVOWYLU-UHFFFAOYSA-N 0 0 209.245 2.654 50 0 BFAARN CCOC(=O)[C@@H]([C@H](C)CC)n1cccc1 ZINC000040488291 170256189 /nfs/dbraw/zinc/25/61/89/170256189.db2.gz RGEPVMUUYVYHRJ-GHMZBOCLSA-N 0 0 209.289 2.638 50 0 BFAARN CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C)C1 ZINC000338910391 170257217 /nfs/dbraw/zinc/25/72/17/170257217.db2.gz LEPDWDXEVCKHTR-AGIUHOORSA-N 0 0 239.359 2.593 50 0 BFAARN CCOC(=O)[C@@H]1CCC[C@@H]1Nc1ccccc1 ZINC000034062828 170259082 /nfs/dbraw/zinc/25/90/82/170259082.db2.gz QGPNXJMZTWTKJY-OLZOCXBDSA-N 0 0 233.311 2.830 50 0 BFAARN CCOC(=O)[C@H](C/C=C/c1ccccc1)C(C)=O ZINC000001702398 170270661 /nfs/dbraw/zinc/27/06/61/170270661.db2.gz CWQNCOQPLICNMH-DNGMOHDESA-N 0 0 246.306 2.858 50 0 BFAARN CCOC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000000207497 170279981 /nfs/dbraw/zinc/27/99/81/170279981.db2.gz WCGHYUMBCGJLQB-CQSZACIVSA-N 0 0 247.338 2.604 50 0 BFAARN CCOC(=O)[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000025630254 170282772 /nfs/dbraw/zinc/28/27/72/170282772.db2.gz XDYQDLVZJKAJBM-FRRDWIJNSA-N 0 0 216.280 2.526 50 0 BFAARN CCOC(=O)c1[nH]c2ccccc2c1Cl ZINC000019770064 170286434 /nfs/dbraw/zinc/28/64/34/170286434.db2.gz BSEGLNNFMGYNDX-UHFFFAOYSA-N 0 0 223.659 2.998 50 0 BFAARN CCOC(=O)c1[nH]c2sc(C)c(C)c2c1N ZINC000006804670 170286512 /nfs/dbraw/zinc/28/65/12/170286512.db2.gz PZCXPJSIUSQLTN-UHFFFAOYSA-N 0 0 238.312 2.605 50 0 BFAARN CCOC(=O)c1c(C)[nH]c2ccc(F)c(F)c21 ZINC000002512980 170287681 /nfs/dbraw/zinc/28/76/81/170287681.db2.gz JWJWOIIIIAAFQN-UHFFFAOYSA-N 0 0 239.221 2.931 50 0 BFAARN CCOC(=O)c1c(N)sc2c1CCCS2 ZINC000003335205 170289056 /nfs/dbraw/zinc/28/90/56/170289056.db2.gz LABKGAIXIOECKO-UHFFFAOYSA-N 0 0 243.353 2.545 50 0 BFAARN CCOC(=O)c1c[nH]cc1Cc1ccccc1 ZINC000071864086 170289625 /nfs/dbraw/zinc/28/96/25/170289625.db2.gz AJRXPNGFRGTIRR-UHFFFAOYSA-N 0 0 229.279 2.782 50 0 BFAARN CCOC(=O)c1cc(C(C)C)sc1N ZINC000002387674 170291655 /nfs/dbraw/zinc/29/16/55/170291655.db2.gz CRSNXJLZRGBLAD-UHFFFAOYSA-N 0 0 213.302 2.630 50 0 BFAARN CCOC(=O)c1cc(C)nc(-c2ccccc2)n1 ZINC000032937834 170291698 /nfs/dbraw/zinc/29/16/98/170291698.db2.gz PMVOHNGNWKPBFL-UHFFFAOYSA-N 0 0 242.278 2.629 50 0 BFAARN CCOC(=O)c1cc(F)ccc1Cl ZINC000044201043 170292078 /nfs/dbraw/zinc/29/20/78/170292078.db2.gz GWENTXANAYAWIK-UHFFFAOYSA-N 0 0 202.612 2.656 50 0 BFAARN CCOC(=O)c1cc(F)c(OCC)cc1F ZINC000169796002 170292378 /nfs/dbraw/zinc/29/23/78/170292378.db2.gz RVWADNZJDDJOEQ-UHFFFAOYSA-N 0 0 230.210 2.540 50 0 BFAARN CCOC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000000056441 170293706 /nfs/dbraw/zinc/29/37/06/170293706.db2.gz LWKIFKYHCJAIAB-UHFFFAOYSA-N 0 0 223.659 2.998 50 0 BFAARN CCOC(=O)c1ccc(-c2cccc(OC)n2)o1 ZINC000045028406 170294435 /nfs/dbraw/zinc/29/44/35/170294435.db2.gz HYKPCAFURSMDHB-UHFFFAOYSA-N 0 0 247.250 2.527 50 0 BFAARN CCOC(=O)c1ccc(-c2ccnc(C)c2)o1 ZINC000045028413 170294737 /nfs/dbraw/zinc/29/47/37/170294737.db2.gz VXYFFIKFYBGTSP-UHFFFAOYSA-N 0 0 231.251 2.827 50 0 BFAARN CCOC(=O)c1ccc(F)cc1Cl ZINC000016159434 170296353 /nfs/dbraw/zinc/29/63/53/170296353.db2.gz MJYAXUKZBQZTTQ-UHFFFAOYSA-N 0 0 202.612 2.656 50 0 BFAARN CCOC(=O)c1ccc(SC)cc1OC ZINC000000122479 170297885 /nfs/dbraw/zinc/29/78/85/170297885.db2.gz RLAOLSFGNWRDJW-UHFFFAOYSA-N 0 0 226.297 2.594 50 0 BFAARN CCOC(=O)c1cccc(C(=O)C2CCC2)c1 ZINC000002514310 170298306 /nfs/dbraw/zinc/29/83/06/170298306.db2.gz OVOBSXIMWGDCNH-UHFFFAOYSA-N 0 0 232.279 2.846 50 0 BFAARN CCOC(=O)c1ccn(Cc2ccccc2)c1 ZINC000034342981 170300712 /nfs/dbraw/zinc/30/07/12/170300712.db2.gz KSZAVNAKDOXZGJ-UHFFFAOYSA-N 0 0 229.279 2.713 50 0 BFAARN CCOC(=O)c1oc2cccc(O)c2c1C ZINC000000195162 170309784 /nfs/dbraw/zinc/30/97/84/170309784.db2.gz NBTXBAOGAXOKEV-UHFFFAOYSA-N 0 0 220.224 2.624 50 0 BFAARN CCOC(=O)c1snc(-c2ccccc2)c1N ZINC000005333368 170310360 /nfs/dbraw/zinc/31/03/60/170310360.db2.gz MLEQHRMXDILIKJ-UHFFFAOYSA-N 0 0 248.307 2.569 50 0 BFAARN CCOC(=O)c1sc(N[C@@H](C)CC)nc1C ZINC000004294215 170310720 /nfs/dbraw/zinc/31/07/20/170310720.db2.gz HDOCOQMXSUHAGL-ZETCQYMHSA-N 0 0 242.344 2.839 50 0 BFAARN CCOC(OCC)c1cnc2ccccc2n1 ZINC000000332411 170316648 /nfs/dbraw/zinc/31/66/48/170316648.db2.gz RVVKHVPCYHFBMO-UHFFFAOYSA-N 0 0 232.283 2.701 50 0 BFAARN CCOCC(=O)Nc1c(C)cccc1CC ZINC000002735107 170348369 /nfs/dbraw/zinc/34/83/69/170348369.db2.gz HCHCXKREIBORAC-UHFFFAOYSA-N 0 0 221.300 2.532 50 0 BFAARN CCOCC(=O)Nc1cccc(Cl)c1C ZINC000002069468 170349325 /nfs/dbraw/zinc/34/93/25/170349325.db2.gz DCBUZPYIOKKFHP-UHFFFAOYSA-N 0 0 227.691 2.623 50 0 BFAARN CCOCCC(=O)N[C@@H](C)c1cccc(C)c1C ZINC000071908776 170361449 /nfs/dbraw/zinc/36/14/49/170361449.db2.gz MYNHZNMNGXOOFZ-ZDUSSCGKSA-N 0 0 249.354 2.907 50 0 BFAARN CCOCCC(=O)Nc1ccc(Cl)cc1 ZINC000004808412 170362745 /nfs/dbraw/zinc/36/27/45/170362745.db2.gz ZUYPWOIDBOTYKY-UHFFFAOYSA-N 0 0 227.691 2.705 50 0 BFAARN CCOCCCNC(=O)C[C@H](C)c1ccccc1 ZINC000005592888 170377182 /nfs/dbraw/zinc/37/71/82/170377182.db2.gz UGODKSAYLQRABA-ZDUSSCGKSA-N 0 0 249.354 2.723 50 0 BFAARN CCO[C@H](CC)C(=O)Nc1cccc(C(C)=O)c1 ZINC000048331984 170503088 /nfs/dbraw/zinc/50/30/88/170503088.db2.gz RNLBCJBVNLNCQK-CYBMUJFWSA-N 0 0 249.310 2.643 50 0 BFAARN CCO[C@H](C)c1noc([C@@H]2CC=CCC2)n1 ZINC000089984967 170503115 /nfs/dbraw/zinc/50/31/15/170503115.db2.gz QAWWRYOGDJCVOJ-NXEZZACHSA-N 0 0 222.288 2.991 50 0 BFAARN CCOc1cc(C=O)cc(Cl)c1OCC ZINC000002738406 170521351 /nfs/dbraw/zinc/52/13/51/170521351.db2.gz JAPWMUVMMRCXJL-UHFFFAOYSA-N 0 0 228.675 2.950 50 0 BFAARN CCOc1cc(C=O)ccc1OCC(F)(F)F ZINC000019434584 170521413 /nfs/dbraw/zinc/52/14/13/170521413.db2.gz GMZDKLDKQCRPFT-UHFFFAOYSA-N 0 0 248.200 2.839 50 0 BFAARN CCOc1cc(OCC)c(OCC)cc1C=O ZINC000002163882 170528109 /nfs/dbraw/zinc/52/81/09/170528109.db2.gz OQEPUQXAJPNVFJ-UHFFFAOYSA-N 0 0 238.283 2.695 50 0 BFAARN CCOc1cc(OCC)c(C=O)c(OCC)c1 ZINC000001555723 170528284 /nfs/dbraw/zinc/52/82/84/170528284.db2.gz FXNZCYUMRHJSFP-UHFFFAOYSA-N 0 0 238.283 2.695 50 0 BFAARN CCOc1ccc(C(=O)N[C@@H](C)CC)cc1C ZINC000013582200 170538262 /nfs/dbraw/zinc/53/82/62/170538262.db2.gz KGCIDBXYCBWMEU-NSHDSACASA-N 0 0 235.327 2.922 50 0 BFAARN CCOc1ccc(NC(=O)c2ccoc2)cc1 ZINC000018184433 170551858 /nfs/dbraw/zinc/55/18/58/170551858.db2.gz UXNAJGDAMQBDSL-UHFFFAOYSA-N 0 0 231.251 2.931 50 0 BFAARN CCOc1ccc(NCc2cn(C)nc2C)cc1 ZINC000002536152 170552713 /nfs/dbraw/zinc/55/27/13/170552713.db2.gz AEDTZILZGGADRP-UHFFFAOYSA-N 0 0 245.326 2.739 50 0 BFAARN CCOc1ccc(OC(=O)c2cccnc2)cc1 ZINC000000242108 170555509 /nfs/dbraw/zinc/55/55/09/170555509.db2.gz UNKOUYYTTDZJDJ-UHFFFAOYSA-N 0 0 243.262 2.700 50 0 BFAARN CCOc1ccc([C@H](C)NC(=O)NC2CC2)cc1 ZINC000032860276 170562192 /nfs/dbraw/zinc/56/21/92/170562192.db2.gz RQPGRJNEJCVHEO-JTQLQIEISA-N 0 0 248.326 2.608 50 0 BFAARN CCOc1ncnc2c3cc(F)ccc3[nH]c21 ZINC000000758990 170605054 /nfs/dbraw/zinc/60/50/54/170605054.db2.gz JWDRVNADBXJMGO-UHFFFAOYSA-N 0 0 231.230 2.649 50 0 BFAARN CC[C@@H](C)NC(=O)[C@H](C)Oc1cc(C)ccc1C ZINC000013710110 170745896 /nfs/dbraw/zinc/74/58/96/170745896.db2.gz DIKWMGQSLHGBDL-OLZOCXBDSA-N 0 0 249.354 2.985 50 0 BFAARN CC[C@@H](C)NC(=O)c1ccc(F)c(F)c1F ZINC000023119827 170747743 /nfs/dbraw/zinc/74/77/43/170747743.db2.gz YIORLONHPCFDFD-ZCFIWIBFSA-N 0 0 231.217 2.632 50 0 BFAARN CC[C@@H](C)NC(=O)c1ccc(OC)c(C)c1 ZINC000009063939 170748818 /nfs/dbraw/zinc/74/88/18/170748818.db2.gz DLAAXHNVRTZVMX-SNVBAGLBSA-N 0 0 221.300 2.532 50 0 BFAARN CC[C@@]1(C(C)C)NC(=S)N(c2ccccc2)N1 ZINC000001249013 171197947 /nfs/dbraw/zinc/19/79/47/171197947.db2.gz QDQJJZJCJSEBMJ-CYBMUJFWSA-N 0 0 249.383 2.648 50 0 BFAARN CC[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000000030579 171224194 /nfs/dbraw/zinc/22/41/94/171224194.db2.gz OICBYWFQUKULES-ZDUSSCGKSA-N 0 0 217.312 2.803 50 0 BFAARN CC[C@H](C)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000065491051 171248057 /nfs/dbraw/zinc/24/80/57/171248057.db2.gz HAEVUMVRGZSTNO-DTWKUNHWSA-N 0 0 237.265 2.833 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(C)c(N)c1 ZINC000008703522 171254271 /nfs/dbraw/zinc/25/42/71/171254271.db2.gz XKBPBJXCMFWOTR-QMMMGPOBSA-N 0 0 206.289 2.562 50 0 BFAARN CC[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000000363762 171254311 /nfs/dbraw/zinc/25/43/11/171254311.db2.gz DQHVTOQZTUOPHD-VIFPVBQESA-N 0 0 237.299 2.688 50 0 BFAARN CC[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000013010576 171255837 /nfs/dbraw/zinc/25/58/37/171255837.db2.gz LQPUNXJSKPAXLM-VIFPVBQESA-N 0 0 219.284 2.874 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccsc1C(=O)OC ZINC000035177130 171256648 /nfs/dbraw/zinc/25/66/48/171256648.db2.gz RFEUUDAFZMVGBJ-ZETCQYMHSA-N 0 0 241.312 2.519 50 0 BFAARN CC[C@H](C)NC(=O)/C=C/c1ccccc1 ZINC000000555143 171321928 /nfs/dbraw/zinc/32/19/28/171321928.db2.gz HOKNEZLZDQSGDN-USKTWTLRSA-N 0 0 203.285 2.615 50 0 BFAARN CC[C@H](C)NC(=O)Cc1ccc(C)cc1C ZINC000072436969 171327698 /nfs/dbraw/zinc/32/76/98/171327698.db2.gz RABHIUMYCHIGEE-LBPRGKRZSA-N 0 0 219.328 2.761 50 0 BFAARN CC[C@H](C)NC(=O)NCc1cccc(Cl)c1 ZINC000013746285 171329140 /nfs/dbraw/zinc/32/91/40/171329140.db2.gz SHIUMLJHYVZSOG-VIFPVBQESA-N 0 0 240.734 2.938 50 0 BFAARN CC[C@H](C)NC(=O)Nc1ccccc1COC ZINC000040527957 171330896 /nfs/dbraw/zinc/33/08/96/171330896.db2.gz QWCWATXDUKOYMI-JTQLQIEISA-N 0 0 236.315 2.753 50 0 BFAARN CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000014397481 171331930 /nfs/dbraw/zinc/33/19/30/171331930.db2.gz UPBPRMPBCDHILN-VHSXEESVSA-N 0 0 239.290 2.508 50 0 BFAARN CC[C@H](C)NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000012894314 171333292 /nfs/dbraw/zinc/33/32/92/171333292.db2.gz ZWLUHHNAQOLHGM-CABZTGNLSA-N 0 0 235.352 2.618 50 0 BFAARN CC[C@H](C)NC(=O)[C@H](C)Oc1cc(C)ccc1C ZINC000013710112 171335714 /nfs/dbraw/zinc/33/57/14/171335714.db2.gz DIKWMGQSLHGBDL-STQMWFEESA-N 0 0 249.354 2.985 50 0 BFAARN CC[C@H](C)NC(=O)c1ccc(Br)o1 ZINC000001284934 171336312 /nfs/dbraw/zinc/33/63/12/171336312.db2.gz RIOMRMODIBYHOI-LURJTMIESA-N 0 0 246.104 2.570 50 0 BFAARN CC[C@H](C)NC(=O)c1cccc(C)c1C ZINC000012976324 171336917 /nfs/dbraw/zinc/33/69/17/171336917.db2.gz LPPROGVFRVWLSH-JTQLQIEISA-N 0 0 205.301 2.832 50 0 BFAARN CC[C@H](C)NC(=S)NC1CCCCC1 ZINC000000305241 171338679 /nfs/dbraw/zinc/33/86/79/171338679.db2.gz TXOOPHJITPWAFP-VIFPVBQESA-N 0 0 214.378 2.582 50 0 BFAARN CC[C@H](C)Oc1ccc(C(=O)OC)cc1 ZINC000083187537 171355984 /nfs/dbraw/zinc/35/59/84/171355984.db2.gz HSFOKEFAEWVYQS-VIFPVBQESA-N 0 0 208.257 2.651 50 0 BFAARN CC[C@H](C)[C@@H]([NH2+]Cc1cccc(C)c1)C(=O)[O-] ZINC000000258975 171375057 /nfs/dbraw/zinc/37/50/57/171375057.db2.gz DFCDGYOQLIZVMK-WCQYABFASA-N 0 0 235.327 2.584 50 0 BFAARN CC[C@H](NC(=O)c1cc(C)on1)c1ccccc1 ZINC000006741916 171509662 /nfs/dbraw/zinc/50/96/62/171509662.db2.gz NRFSXUKGQFYHDI-LBPRGKRZSA-N 0 0 244.294 2.864 50 0 BFAARN CC[C@H](O)COc1cccc2nc(C)ccc21 ZINC000157062994 171579460 /nfs/dbraw/zinc/57/94/60/171579460.db2.gz AYLOXAYLGWANIV-NSHDSACASA-N 0 0 231.295 2.693 50 0 BFAARN CC[C@H]1CCCCCN1C(=O)[C@H]1CCCOC1 ZINC000089948272 171604497 /nfs/dbraw/zinc/60/44/97/171604497.db2.gz JAZYCAXUYWLUOE-STQMWFEESA-N 0 0 239.359 2.594 50 0 BFAARN CC[C@H]1CCCCN1C(=O)Nc1ccccn1 ZINC000048347387 171606087 /nfs/dbraw/zinc/60/60/87/171606087.db2.gz NFNHRRUOEZVEIC-NSHDSACASA-N 0 0 233.315 2.878 50 0 BFAARN CCc1c[nH]c(Sc2ncc(Cl)cn2)n1 ZINC000095416591 171745759 /nfs/dbraw/zinc/74/57/59/171745759.db2.gz DSNBHNUNHJNDHK-UHFFFAOYSA-N 0 0 240.719 2.567 50 0 BFAARN CCc1cc(O)ccc1NC(=O)c1ccc[nH]1 ZINC000191038846 171770466 /nfs/dbraw/zinc/77/04/66/171770466.db2.gz BKRDBCGNGJHVIQ-UHFFFAOYSA-N 0 0 230.267 2.535 50 0 BFAARN CCc1csc(NC(=O)CC(F)(F)F)n1 ZINC000069918104 171931331 /nfs/dbraw/zinc/93/13/31/171931331.db2.gz HMGUXPNSTZZFCJ-UHFFFAOYSA-N 0 0 238.234 2.596 50 0 BFAARN CCc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000020346201 172015255 /nfs/dbraw/zinc/01/52/55/172015255.db2.gz AWWSZDJSDIXPNB-UHFFFAOYSA-N 0 0 246.291 2.807 50 0 BFAARN CCC1N=NC(=S)N1c1ccc(C)cc1C ZINC000006395552 172061369 /nfs/dbraw/zinc/06/13/69/172061369.db2.gz QVAWFNUYWNAYPU-UHFFFAOYSA-N 0 0 233.340 2.735 50 0 BFAARN CCC1N=NC(=S)N1c1ccccc1Cl ZINC000006395643 172062044 /nfs/dbraw/zinc/06/20/44/172062044.db2.gz YBFYJMRYCZQZIY-UHFFFAOYSA-N 0 0 239.731 2.772 50 0 BFAARN CCc1noc(C)c1C(=O)N[C@@H](CC)C(C)C ZINC000095954870 172074994 /nfs/dbraw/zinc/07/49/94/172074994.db2.gz NZBDPNWPQCOXEG-JTQLQIEISA-N 0 0 238.331 2.710 50 0 BFAARN CCc1noc2ncnc(NC3CCCCC3)c12 ZINC000035479071 172093418 /nfs/dbraw/zinc/09/34/18/172093418.db2.gz MIGQMRCAQJHPBX-UHFFFAOYSA-N 0 0 246.314 2.925 50 0 BFAARN CCc1nsc(SCc2cc(C)on2)n1 ZINC000095414736 172107924 /nfs/dbraw/zinc/10/79/24/172107924.db2.gz OTYRUYVDFRJIDV-UHFFFAOYSA-N 0 0 241.341 2.689 50 0 BFAARN CCn1c(=O)sc2cccc(Cl)c21 ZINC000000039797 172133241 /nfs/dbraw/zinc/13/32/41/172133241.db2.gz LDELBJIBUBHFQV-UHFFFAOYSA-N 0 0 213.689 2.736 50 0 BFAARN CCn1c(C)c(C(C)=O)c2cc(O)ccc21 ZINC000005797578 172134242 /nfs/dbraw/zinc/13/42/42/172134242.db2.gz JPPJKAGMSZQFBX-UHFFFAOYSA-N 0 0 217.268 2.878 50 0 BFAARN CCn1cc(-c2cc3ccccn3c2)cn1 ZINC000012398539 172149163 /nfs/dbraw/zinc/14/91/63/172149163.db2.gz KYIGFYKGYBZWLG-UHFFFAOYSA-N 0 0 211.268 2.823 50 0 BFAARN CCn1ccc2nc(Cl)nc(Cl)c21 ZINC000090411146 172201461 /nfs/dbraw/zinc/20/14/61/172201461.db2.gz OMEALJXAHAGMIE-UHFFFAOYSA-N 0 0 216.071 2.758 50 0 BFAARN CCn1ccnc1SC[C@H]1CCCCO1 ZINC000040485690 172227698 /nfs/dbraw/zinc/22/76/98/172227698.db2.gz CQSBDQWUEKYQAI-SNVBAGLBSA-N 0 0 226.345 2.564 50 0 BFAARN CCn1ccnc1SC[C@@H]1CCCCO1 ZINC000040485687 172227944 /nfs/dbraw/zinc/22/79/44/172227944.db2.gz CQSBDQWUEKYQAI-JTQLQIEISA-N 0 0 226.345 2.564 50 0 BFAARN CCn1ccnc1[C@@H](O)CCc1ccccc1 ZINC000069496723 172229685 /nfs/dbraw/zinc/22/96/85/172229685.db2.gz VONKBAVUYUMSHF-ZDUSSCGKSA-N 0 0 230.311 2.569 50 0 BFAARN CCn1nc(-c2ccc(C)c(C)c2)ccc1=O ZINC000005401470 172240082 /nfs/dbraw/zinc/24/00/82/172240082.db2.gz FUYMBUJTHQZFEA-UHFFFAOYSA-N 0 0 228.295 2.547 50 0 BFAARN CN(C(=O)C1C(C)(C)C1(C)C)c1cccnc1 ZINC000073614757 172298314 /nfs/dbraw/zinc/29/83/14/172298314.db2.gz FGIZDHSFBKYTMT-UHFFFAOYSA-N 0 0 232.327 2.727 50 0 BFAARN CN(C(=O)C1C(C)(C)C1(C)C)c1ccccn1 ZINC000074806082 172298623 /nfs/dbraw/zinc/29/86/23/172298623.db2.gz XRLKZQAXCYEJQF-UHFFFAOYSA-N 0 0 232.327 2.727 50 0 BFAARN CN(C(=O)C1CCCCC1)C1CCCC1 ZINC000022524231 172299383 /nfs/dbraw/zinc/29/93/83/172299383.db2.gz YZXJSOZIWOWWOA-UHFFFAOYSA-N 0 0 209.333 2.968 50 0 BFAARN CN(C(=O)NC[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000096406271 172320261 /nfs/dbraw/zinc/32/02/61/172320261.db2.gz JVOYSBMXQWTRLV-JSGCOSHPSA-N 0 0 244.338 2.594 50 0 BFAARN CN(C(=O)Nc1cccc2cccnc21)C1CC1 ZINC000049516420 172323889 /nfs/dbraw/zinc/32/38/89/172323889.db2.gz XNGVAYGQPADJJT-UHFFFAOYSA-N 0 0 241.294 2.861 50 0 BFAARN CN(C(=O)OC(C)(C)C)c1cccc(N)c1 ZINC000041022077 172324920 /nfs/dbraw/zinc/32/49/20/172324920.db2.gz QCTXBRCQBZFXDX-UHFFFAOYSA-N 0 0 222.288 2.640 50 0 BFAARN CN(C(=O)c1cc(C2CC2)on1)C1CCCC1 ZINC000058292234 172336392 /nfs/dbraw/zinc/33/63/92/172336392.db2.gz PGDCLYLNFZXETN-UHFFFAOYSA-N 0 0 234.299 2.567 50 0 BFAARN CN(C(=O)c1ccc[nH]1)[C@@H]1CCc2ccccc21 ZINC000032905664 172341560 /nfs/dbraw/zinc/34/15/60/172341560.db2.gz OKXGHINOJCIZQN-CQSZACIVSA-N 0 0 240.306 2.774 50 0 BFAARN CN(C(=O)c1ccoc1)c1ccccc1 ZINC000032841562 172344886 /nfs/dbraw/zinc/34/48/86/172344886.db2.gz MMIJVYKATTZCRK-UHFFFAOYSA-N 0 0 201.225 2.556 50 0 BFAARN CN(C)C(=O)CCCc1c[nH]c2ccccc12 ZINC000012906057 172358421 /nfs/dbraw/zinc/35/84/21/172358421.db2.gz STEIYURPLNQRDP-UHFFFAOYSA-N 0 0 230.311 2.579 50 0 BFAARN CN(C)C(=O)Nc1ccc(Br)cc1 ZINC000000395168 172382434 /nfs/dbraw/zinc/38/24/34/172382434.db2.gz GSNZNZUNAJCHDO-UHFFFAOYSA-N 0 0 243.104 2.543 50 0 BFAARN CN(C)C(=O)Oc1noc2ccc(Cl)cc21 ZINC000000075902 172384336 /nfs/dbraw/zinc/38/43/36/172384336.db2.gz FRBDVDNNCKLJFZ-UHFFFAOYSA-N 0 0 240.646 2.542 50 0 BFAARN CN(C)C(=O)c1ccc(-c2cccc(N)c2)cc1 ZINC000085477503 172388986 /nfs/dbraw/zinc/38/89/86/172388986.db2.gz DHSDXYOFOGILDT-UHFFFAOYSA-N 0 0 240.306 2.638 50 0 BFAARN CN(C)C(=O)c1ccc(F)c2ccccc12 ZINC000204286947 172389951 /nfs/dbraw/zinc/38/99/51/172389951.db2.gz ISUFEBJJJLLLJA-UHFFFAOYSA-N 0 0 217.243 2.681 50 0 BFAARN CN(C)C(=O)c1cccc2c1-c1ccccc1C2 ZINC000001038970 172392265 /nfs/dbraw/zinc/39/22/65/172392265.db2.gz GWMNHMRTOBAPSH-UHFFFAOYSA-N 0 0 237.302 2.960 50 0 BFAARN CN(C)C(=O)c1csc(-c2cccs2)n1 ZINC000065539467 172392561 /nfs/dbraw/zinc/39/25/61/172392561.db2.gz ZRWIANRDPNVUGF-UHFFFAOYSA-N 0 0 238.337 2.573 50 0 BFAARN CN(Cc1ccco1)C(=O)c1ccccc1F ZINC000033028175 172889499 /nfs/dbraw/zinc/88/94/99/172889499.db2.gz RLSZGMSSUCMXSR-UHFFFAOYSA-N 0 0 233.242 2.691 50 0 BFAARN CN(Cc1ccco1)C(=O)c1ccsc1 ZINC000039976134 172889962 /nfs/dbraw/zinc/88/99/62/172889962.db2.gz VZSZVOOBCXIAGO-UHFFFAOYSA-N 0 0 221.281 2.613 50 0 BFAARN CN1c2ccc(Br)cc2CC1=S ZINC000003434761 172973928 /nfs/dbraw/zinc/97/39/28/172973928.db2.gz JNXVOHHCCLSGRL-UHFFFAOYSA-N 0 0 242.141 2.769 50 0 BFAARN Cn1cccc1C1N(C)c2ccccc2N1C ZINC000000289252 173208232 /nfs/dbraw/zinc/20/82/32/173208232.db2.gz XMUDXGXXGMMPSV-UHFFFAOYSA-N 0 0 227.311 2.610 50 0 BFAARN CNC(=O)CCc1cccc2ccccc21 ZINC000067338855 173263441 /nfs/dbraw/zinc/26/34/41/173263441.db2.gz PTOZTUAPPARXHP-UHFFFAOYSA-N 0 0 213.280 2.518 50 0 BFAARN CNC(=O)Oc1cc(C)cc(C(C)C)c1 ZINC000001667587 173293206 /nfs/dbraw/zinc/29/32/06/173293206.db2.gz DTAPQAJKAFRNJB-UHFFFAOYSA-N 0 0 207.273 2.837 50 0 in-vitro BFAARN CNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000089385870 173308477 /nfs/dbraw/zinc/30/84/77/173308477.db2.gz MYUSZFSTDNYXDC-IUCAKERBSA-N 0 0 243.228 2.555 50 0 BFAARN CNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000023641211 173310159 /nfs/dbraw/zinc/31/01/59/173310159.db2.gz BUBUFCQRWRTQMO-UHFFFAOYSA-N 0 0 235.670 2.960 50 0 BFAARN CNC(=O)c1cnc(/C=C\c2ccccc2)s1 ZINC000207605796 173313063 /nfs/dbraw/zinc/31/30/63/173313063.db2.gz MMBWEOWRAYJIHO-FPLPWBNLSA-N 0 0 244.319 2.673 50 0 BFAARN CNC(=S)SCCOc1ccc(C)cc1 ZINC000008830038 173316402 /nfs/dbraw/zinc/31/64/02/173316402.db2.gz IYIXFHMTQFXKNE-UHFFFAOYSA-N 0 0 241.381 2.611 50 0 BFAARN CNC(=S)Nc1ccc(Cl)cc1C ZINC000000619162 173316465 /nfs/dbraw/zinc/31/64/65/173316465.db2.gz AKRQUARRWKDBMF-UHFFFAOYSA-N 0 0 214.721 2.565 50 0 BFAARN COC(=O)/C=C/c1ccc(Br)cc1 ZINC000000330128 173496102 /nfs/dbraw/zinc/49/61/02/173496102.db2.gz MFKOGXVHZUSUAF-QPJJXVBHSA-N 0 0 241.084 2.635 50 0 BFAARN COC(=O)CCc1ccc(C(F)(F)F)cc1 ZINC000097756709 173568554 /nfs/dbraw/zinc/56/85/54/173568554.db2.gz RGHLKPRLAGPYRD-UHFFFAOYSA-N 0 0 232.201 2.811 50 0 BFAARN COC(=O)NCc1ccc(Cl)cc1Cl ZINC000013327925 173659453 /nfs/dbraw/zinc/65/94/53/173659453.db2.gz RBTWWLXPUDGGPT-UHFFFAOYSA-N 0 0 234.082 2.849 50 0 BFAARN COC(=O)Nc1cc(Cl)ccc1OC ZINC000000375227 173661919 /nfs/dbraw/zinc/66/19/19/173661919.db2.gz CLYCHZNRUGETHQ-UHFFFAOYSA-N 0 0 215.636 2.527 50 0 BFAARN COC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000002516066 173693375 /nfs/dbraw/zinc/69/33/75/173693375.db2.gz YWGAULPFWIQKRB-MRVPVSSYSA-N 0 0 228.675 2.589 50 0 BFAARN COC(=O)[C@H](C)Cc1c[nH]c2ccccc12 ZINC000000336826 173773372 /nfs/dbraw/zinc/77/33/72/173773372.db2.gz POHSJYQQRZRBKR-SECBINFHSA-N 0 0 217.268 2.520 50 0 BFAARN COC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000001459475 173788952 /nfs/dbraw/zinc/78/89/52/173788952.db2.gz HNBZCWLAXPVXER-JTQLQIEISA-N 0 0 222.284 2.750 50 0 BFAARN COC(=O)[C@H](C)Sc1ccc2c(c1)CCC2 ZINC000055278980 173790824 /nfs/dbraw/zinc/79/08/24/173790824.db2.gz LPKSKBDNUHVWDA-VIFPVBQESA-N 0 0 236.336 2.829 50 0 BFAARN COC(=O)c1ccc(Br)c(Cl)c1 ZINC000057351516 173866799 /nfs/dbraw/zinc/86/67/99/173866799.db2.gz BPJMNAWSHVKGHE-UHFFFAOYSA-N 0 0 249.491 2.889 50 0 BFAARN COC(=O)c1c(C)cc(Br)cc1F ZINC000095642858 173841137 /nfs/dbraw/zinc/84/11/37/173841137.db2.gz CGSQFHPDASRYOX-UHFFFAOYSA-N 0 0 247.063 2.683 50 0 BFAARN COC(=O)c1cc(-c2cc3ccccc3o2)on1 ZINC000026421063 173846599 /nfs/dbraw/zinc/84/65/99/173846599.db2.gz WUXRFYWEOGUFDC-UHFFFAOYSA-N 0 0 243.218 2.874 50 0 BFAARN COC(=O)c1cc(C)c(Br)c(C)c1 ZINC000021299320 173851373 /nfs/dbraw/zinc/85/13/73/173851373.db2.gz TZQNPDBABLCTGL-UHFFFAOYSA-N 0 0 243.100 2.853 50 0 BFAARN COC(=O)c1cc(Cl)c(C)cc1F ZINC000093097474 173856678 /nfs/dbraw/zinc/85/66/78/173856678.db2.gz MNZDRSFZCLRWLN-UHFFFAOYSA-N 0 0 202.612 2.574 50 0 BFAARN COC(=O)c1cc2cc(C)ccc2s1 ZINC000091696096 173863297 /nfs/dbraw/zinc/86/32/97/173863297.db2.gz JYCDOAPNZAJTJA-UHFFFAOYSA-N 0 0 206.266 2.996 50 0 BFAARN COC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000002534102 173864643 /nfs/dbraw/zinc/86/46/43/173864643.db2.gz HHDCCGVOJXWGEU-UHFFFAOYSA-N 0 0 209.632 2.608 50 0 BFAARN COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 ZINC000002565465 173865737 /nfs/dbraw/zinc/86/57/37/173865737.db2.gz JHCPIIVQUDGETN-UHFFFAOYSA-N 0 0 230.219 2.546 50 0 BFAARN COC(=O)c1ccc(-c2cccs2)nc1 ZINC000012370505 173866106 /nfs/dbraw/zinc/86/61/06/173866106.db2.gz SXGLIAOLXVLUCM-UHFFFAOYSA-N 0 0 219.265 2.597 50 0 BFAARN COC(=O)c1ccc(-c2ccccc2C=O)cc1 ZINC000002525667 173866386 /nfs/dbraw/zinc/86/63/86/173866386.db2.gz KFHVKGQJVMQGOE-UHFFFAOYSA-N 0 0 240.258 2.953 50 0 BFAARN COC(=O)c1ccc2c(c1)ncn2C1CCCC1 ZINC000075935289 173891458 /nfs/dbraw/zinc/89/14/58/173891458.db2.gz SVWXEOKAUZAJCN-UHFFFAOYSA-N 0 0 244.294 2.938 50 0 BFAARN COC(=O)c1cncc(-c2ccc(F)cc2)c1 ZINC000016946644 173907654 /nfs/dbraw/zinc/90/76/54/173907654.db2.gz RKCFLSMVFNQWHR-UHFFFAOYSA-N 0 0 231.226 2.674 50 0 BFAARN COCC(=O)Nc1cccc(Cl)c1Cl ZINC000000363472 174059153 /nfs/dbraw/zinc/05/91/53/174059153.db2.gz CPPXQEMDTDIZMQ-UHFFFAOYSA-N 0 0 234.082 2.578 50 0 BFAARN COCC(=O)Nc1cc(Cl)ccc1Cl ZINC000003093903 174057595 /nfs/dbraw/zinc/05/75/95/174057595.db2.gz HUTYAOXEWMPPDX-UHFFFAOYSA-N 0 0 234.082 2.578 50 0 BFAARN COCCC1(CNc2ncccn2)CCCCC1 ZINC000274742789 174157154 /nfs/dbraw/zinc/15/71/54/174157154.db2.gz FMWRHHFVPGRNFD-UHFFFAOYSA-N 0 0 249.358 2.876 50 0 BFAARN COCCCCCn1ccc(=O)c2ccccc21 ZINC000076062785 174187760 /nfs/dbraw/zinc/18/77/60/174187760.db2.gz AKDPYTCFSSEGAO-UHFFFAOYSA-N 0 0 245.322 2.818 50 0 BFAARN COCCCNc1nc2ccccc2s1 ZINC000020284239 174252046 /nfs/dbraw/zinc/25/20/46/174252046.db2.gz NAWHQLGVAYDVQW-UHFFFAOYSA-N 0 0 222.313 2.745 50 0 BFAARN COCCCn1ccc(-c2ccccc2)n1 ZINC000097114855 174266407 /nfs/dbraw/zinc/26/64/07/174266407.db2.gz GNWKSDDZYXSSCN-UHFFFAOYSA-N 0 0 216.284 2.587 50 0 BFAARN COCCOC(=O)Nc1ccc(Cl)cc1 ZINC000002171685 174343625 /nfs/dbraw/zinc/34/36/25/174343625.db2.gz SWSFOCYATDVBLK-UHFFFAOYSA-N 0 0 229.663 2.535 50 0 BFAARN COCCOc1ccc(F)cc1Cl ZINC000074937887 174368244 /nfs/dbraw/zinc/36/82/44/174368244.db2.gz RXENEGBURNHZNI-UHFFFAOYSA-N 0 0 204.628 2.504 50 0 BFAARN COCCOc1ccccc1-c1nccs1 ZINC000187214494 174369306 /nfs/dbraw/zinc/36/93/06/174369306.db2.gz WETWUYFHTMUZFB-UHFFFAOYSA-N 0 0 235.308 2.835 50 0 BFAARN COCCSCc1nc2c(cccc2F)[nH]1 ZINC000095962403 174376017 /nfs/dbraw/zinc/37/60/17/174376017.db2.gz WQSMLZCIVVSQRL-UHFFFAOYSA-N 0 0 240.303 2.582 50 0 BFAARN COCCSCc1ccn(-c2ccccc2)n1 ZINC000095351476 174376608 /nfs/dbraw/zinc/37/66/08/174376608.db2.gz TUSSESRCGTYTSS-UHFFFAOYSA-N 0 0 248.351 2.752 50 0 BFAARN COC[C@@H](C)Nc1ccc(SC)cc1 ZINC000053172076 174461326 /nfs/dbraw/zinc/46/13/26/174461326.db2.gz DLFDBPBFAMAGLY-SECBINFHSA-N 0 0 211.330 2.855 50 0 BFAARN COC[C@@H](C)Nc1cccc(N(C)C(C)C)c1 ZINC000097095637 174462393 /nfs/dbraw/zinc/46/23/93/174462393.db2.gz SBNGETKQOVGHSH-GFCCVEGCSA-N 0 0 236.359 2.978 50 0 BFAARN COC[C@H](C)Oc1ccc(N)cc1C(F)(F)F ZINC000006678027 174554716 /nfs/dbraw/zinc/55/47/16/174554716.db2.gz UPCZGVUZZIDAEX-ZETCQYMHSA-N 0 0 249.232 2.701 50 0 BFAARN COCc1ccc(CNc2cccc(CO)c2)o1 ZINC000225601707 174626903 /nfs/dbraw/zinc/62/69/03/174626903.db2.gz WZEWDTRKBMHUSL-UHFFFAOYSA-N 0 0 247.294 2.530 50 0 BFAARN COc1c(Cl)cccc1NC(=O)NC(C)C ZINC000000396604 174930225 /nfs/dbraw/zinc/93/02/25/174930225.db2.gz VQQPNAAOFZEWNZ-UHFFFAOYSA-N 0 0 242.706 2.879 50 0 BFAARN COc1cc(C)c(NC(=O)C(C)C)cc1OC ZINC000014712982 174959941 /nfs/dbraw/zinc/95/99/41/174959941.db2.gz QANABDDGBMINRD-UHFFFAOYSA-N 0 0 237.299 2.607 50 0 BFAARN COc1cc(Cl)c(C(C)=O)cc1OC ZINC000004218217 174988300 /nfs/dbraw/zinc/98/83/00/174988300.db2.gz RUCCUAPEVQWYOP-UHFFFAOYSA-N 0 0 214.648 2.560 50 0 BFAARN COc1cc(F)c(Br)c(OC)c1 ZINC000000056920 174990685 /nfs/dbraw/zinc/99/06/85/174990685.db2.gz DGHHLXADLQCVKV-UHFFFAOYSA-N 0 0 235.052 2.605 50 0 BFAARN COc1cc(F)ccc1-c1csc(N)n1 ZINC000016740085 174993712 /nfs/dbraw/zinc/99/37/12/174993712.db2.gz ZLARVHHBLHKVDM-UHFFFAOYSA-N 0 0 224.260 2.540 50 0 BFAARN COc1cc(NCc2cncs2)ccc1F ZINC000162897236 175003325 /nfs/dbraw/zinc/00/33/25/175003325.db2.gz QQCGMVJAQYDOOE-UHFFFAOYSA-N 0 0 238.287 2.903 50 0 BFAARN COc1cc(O)ccc1NC(=O)OC(C)(C)C ZINC000261494315 175006200 /nfs/dbraw/zinc/00/62/00/175006200.db2.gz UUWWYFQJCAFFSU-UHFFFAOYSA-N 0 0 239.271 2.748 50 0 BFAARN COc1cc2c(cc1OC)C(=O)C[C@@H](C)S2 ZINC000000384057 175023565 /nfs/dbraw/zinc/02/35/65/175023565.db2.gz DEWXZFBKYPVHDF-SSDOTTSWSA-N 0 0 238.308 2.771 50 0 BFAARN COc1cc2nc(C)sc2cc1OC ZINC000001786835 175027969 /nfs/dbraw/zinc/02/79/69/175027969.db2.gz SOWIEKUNTPLSOC-UHFFFAOYSA-N 0 0 209.270 2.622 50 0 in-vitro BFAARN COc1ccc(-c2cn3ccsc3n2)cc1N ZINC000061957806 175035737 /nfs/dbraw/zinc/03/57/37/175035737.db2.gz STUOMPARAVXKPA-UHFFFAOYSA-N 0 0 245.307 2.654 50 0 BFAARN COc1ccc(-c2csc(N)n2)cc1F ZINC000002582667 175038033 /nfs/dbraw/zinc/03/80/33/175038033.db2.gz YNGDDNXKDDLUAK-UHFFFAOYSA-N 0 0 224.260 2.540 50 0 BFAARN COc1ccc(-c2nc(-c3ccco3)n[nH]2)cc1 ZINC000032501663 175038036 /nfs/dbraw/zinc/03/80/36/175038036.db2.gz PBRYUSKDCAHYHS-UHFFFAOYSA-N 0 0 241.250 2.740 50 0 BFAARN COc1ccc(-c2n[nH]c(C3CCC3)n2)cc1F ZINC000096161030 175038817 /nfs/dbraw/zinc/03/88/17/175038817.db2.gz MBOBSCUVXGCZDT-UHFFFAOYSA-N 0 0 247.273 2.887 50 0 BFAARN COc1ccc(-n2nc(C(C)(C)C)cc2N)cc1 ZINC000002576790 175044516 /nfs/dbraw/zinc/04/45/16/175044516.db2.gz BUNGLKKPGWGZDC-UHFFFAOYSA-N 0 0 245.326 2.761 50 0 BFAARN COc1ccc(/C=C/c2noc(C)c2N)cc1 ZINC000009646674 175048093 /nfs/dbraw/zinc/04/80/93/175048093.db2.gz SPZBRFKVWZLTKE-VMPITWQZSA-N 0 0 230.267 2.744 50 0 BFAARN COc1ccc(C(=O)C(C)C)cc1OC ZINC000001691679 175052874 /nfs/dbraw/zinc/05/28/74/175052874.db2.gz FGVRUUHJVIWSEN-UHFFFAOYSA-N 0 0 208.257 2.543 50 0 BFAARN COc1ccc(C(=O)C(F)(F)F)c(C)c1 ZINC000002518010 175053114 /nfs/dbraw/zinc/05/31/14/175053114.db2.gz WXOOQBPXUNZARD-UHFFFAOYSA-N 0 0 218.174 2.749 50 0 BFAARN COc1ccc(C(=O)Nc2c(C)noc2C)cc1 ZINC000084025567 175063858 /nfs/dbraw/zinc/06/38/58/175063858.db2.gz BBFSBYKAOUMHBT-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1ccc(C(=O)n2nc(C)c(C)c2C)cc1 ZINC000010155522 175066876 /nfs/dbraw/zinc/06/68/76/175066876.db2.gz VAGMZSXNGROGBN-UHFFFAOYSA-N 0 0 244.294 2.505 50 0 BFAARN COc1ccc(C)cc1NC(=O)c1ccco1 ZINC000000335573 175077520 /nfs/dbraw/zinc/07/75/20/175077520.db2.gz SGXDERZOICYLDN-UHFFFAOYSA-N 0 0 231.251 2.849 50 0 BFAARN COc1ccc(C)cc1NC(=O)NC(C)(C)C ZINC000000400440 175077933 /nfs/dbraw/zinc/07/79/33/175077933.db2.gz HHKXOERGZXSAMX-UHFFFAOYSA-N 0 0 236.315 2.924 50 0 BFAARN COc1ccc(C)cc1NC(=O)c1cc(C)no1 ZINC000017338170 175078025 /nfs/dbraw/zinc/07/80/25/175078025.db2.gz UBHBFMQXBVXBRG-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1ccc(C)cc1NC(C)(C)CCO ZINC000257354945 175078062 /nfs/dbraw/zinc/07/80/62/175078062.db2.gz GGFCTGZWMVVREO-UHFFFAOYSA-N 0 0 223.316 2.577 50 0 BFAARN COc1ccc(C)cc1[C@H](C)NC(=O)C1CCC1 ZINC000008128277 175081119 /nfs/dbraw/zinc/08/11/19/175081119.db2.gz DXTVUMHEYSXUAH-NSHDSACASA-N 0 0 247.338 2.981 50 0 BFAARN COc1ccc(C=O)c(C(F)(F)F)c1OC ZINC000082046889 175085937 /nfs/dbraw/zinc/08/59/37/175085937.db2.gz RVBGIIWJLAXZGT-UHFFFAOYSA-N 0 0 234.173 2.535 50 0 BFAARN COc1ccc(C=O)cc1OC1CCCC1 ZINC000000164890 175086070 /nfs/dbraw/zinc/08/60/70/175086070.db2.gz FZFWPURYSWKIRT-UHFFFAOYSA-N 0 0 220.268 2.829 50 0 BFAARN COc1ccc(CC[C@H](O)c2ccccn2)cc1 ZINC000001398958 175093932 /nfs/dbraw/zinc/09/39/32/175093932.db2.gz KHBYPDWUMSADNS-HNNXBMFYSA-N 0 0 243.306 2.756 50 0 BFAARN COc1ccc(CNC(=O)CC2CCCC2)cc1 ZINC000008723317 175103578 /nfs/dbraw/zinc/10/35/78/175103578.db2.gz CXKQUFOWCPSQCC-UHFFFAOYSA-N 0 0 247.338 2.892 50 0 BFAARN COc1ccc(COc2ccccc2N)cc1 ZINC000009239538 175113962 /nfs/dbraw/zinc/11/39/62/175113962.db2.gz MKSOKORSNCKAAE-UHFFFAOYSA-N 0 0 229.279 2.856 50 0 BFAARN COc1ccc(CSc2ncccn2)cc1 ZINC000000337910 175115252 /nfs/dbraw/zinc/11/52/52/175115252.db2.gz RPEGHOSCPFJLGH-UHFFFAOYSA-N 0 0 232.308 2.778 50 0 BFAARN COc1ccc(Cl)cc1C(=O)N1CCCC1 ZINC000000862266 175119751 /nfs/dbraw/zinc/11/97/51/175119751.db2.gz WBBIMTCZZRPLNN-UHFFFAOYSA-N 0 0 239.702 2.585 50 0 BFAARN COc1ccc(Cl)cc1-n1cccc1C=O ZINC000001527084 175119886 /nfs/dbraw/zinc/11/98/86/175119886.db2.gz TYXXTANTXDFBOK-UHFFFAOYSA-N 0 0 235.670 2.952 50 0 BFAARN COc1ccc(I)cc1C ZINC000002580771 175135507 /nfs/dbraw/zinc/13/55/07/175135507.db2.gz FKBRRGQXYZMUNC-UHFFFAOYSA-N 0 0 248.063 2.608 50 0 BFAARN COc1ccc(N)cc1NC(=O)c1ccccc1 ZINC000009264611 175138577 /nfs/dbraw/zinc/13/85/77/175138577.db2.gz CQVOSDLLPUGRAS-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1ccc(NC(=O)NC2CCCCC2)cn1 ZINC000036078075 175143603 /nfs/dbraw/zinc/14/36/03/175143603.db2.gz CGLJVJHKZJJQOO-UHFFFAOYSA-N 0 0 249.314 2.544 50 0 BFAARN COc1ccc(NC(=O)NCC(C)C)cc1F ZINC000048451001 175143887 /nfs/dbraw/zinc/14/38/87/175143887.db2.gz VRADNSGEYUEWHX-UHFFFAOYSA-N 0 0 240.278 2.612 50 0 BFAARN COc1ccc(NC(=O)OC(C)C)cc1 ZINC000000215338 175144826 /nfs/dbraw/zinc/14/48/26/175144826.db2.gz CBGPYPHIFVEQTQ-UHFFFAOYSA-N 0 0 209.245 2.652 50 0 BFAARN COc1ccc(NC(=O)c2ccoc2)cc1 ZINC000016200050 175147215 /nfs/dbraw/zinc/14/72/15/175147215.db2.gz DGBIMBUGJWXBPV-UHFFFAOYSA-N 0 0 217.224 2.541 50 0 BFAARN COc1ccc(NC(=O)c2cc(C)oc2C)cn1 ZINC000015658591 175147862 /nfs/dbraw/zinc/14/78/62/175147862.db2.gz JUASPWZLUVGLFO-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1ccc(NC(=O)c2ccccc2O)cc1 ZINC000006484380 175147879 /nfs/dbraw/zinc/14/78/79/175147879.db2.gz SZEPRRFZUWYXNA-UHFFFAOYSA-N 0 0 243.262 2.653 50 0 BFAARN COc1ccc(NC(=S)NC(C)(C)C)cc1 ZINC000000452953 175148875 /nfs/dbraw/zinc/14/88/75/175148875.db2.gz XYXGYAHZCXVEEX-UHFFFAOYSA-N 0 0 238.356 2.780 50 0 BFAARN COc1ccc(NCc2c(C)noc2C)cc1 ZINC000001383218 175151324 /nfs/dbraw/zinc/15/13/24/175151324.db2.gz FCPHKLHHODPQGQ-UHFFFAOYSA-N 0 0 232.283 2.912 50 0 BFAARN COc1ccc(NCc2ccncc2)cc1 ZINC000000242145 175152516 /nfs/dbraw/zinc/15/25/16/175152516.db2.gz WUEBHOAMPRBYTA-UHFFFAOYSA-N 0 0 214.268 2.702 50 0 BFAARN COc1ccc(N[C@@H]2CCCCC2=O)cc1 ZINC000000398878 175154395 /nfs/dbraw/zinc/15/43/95/175154395.db2.gz LTZCUDNVQLDYPS-GFCCVEGCSA-N 0 0 219.284 2.619 50 0 BFAARN COc1ccc(Nc2cc(C)ncn2)c(OC)c1 ZINC000011902778 175156246 /nfs/dbraw/zinc/15/62/46/175156246.db2.gz XODXTYUMFGSSBS-UHFFFAOYSA-N 0 0 245.282 2.546 50 0 BFAARN COc1ccc(OC)c([C@@H]2CCCC[C@H]2O)c1 ZINC000001715774 175167907 /nfs/dbraw/zinc/16/79/07/175167907.db2.gz IPBLFABLABBHLF-WCQYABFASA-N 0 0 236.311 2.722 50 0 BFAARN COc1ccc2[nH]ccc2c1Br ZINC000077024964 175202974 /nfs/dbraw/zinc/20/29/74/175202974.db2.gz FPSVUEYKYLKRJL-UHFFFAOYSA-N 0 0 226.073 2.939 50 0 BFAARN COc1ccc2c(Cl)c(C(N)=O)sc2c1 ZINC000000045997 175204329 /nfs/dbraw/zinc/20/43/29/175204329.db2.gz IWPCUYGXTLHCHD-UHFFFAOYSA-N 0 0 241.699 2.662 50 0 BFAARN COc1ccc2c(c1Br)CCC2=O ZINC000030678364 175219449 /nfs/dbraw/zinc/21/94/49/175219449.db2.gz ZVBMFHJZYVGNSX-UHFFFAOYSA-N 0 0 241.084 2.587 50 0 BFAARN COc1ccc2oc(C)c(C(=O)N3CCC3)c2c1 ZINC000058833460 175230980 /nfs/dbraw/zinc/23/09/80/175230980.db2.gz YIRVTWIHEDPLEJ-UHFFFAOYSA-N 0 0 245.278 2.596 50 0 BFAARN COc1ccc2oc(C)c(NC(C)=O)c2c1 ZINC000000055237 175231025 /nfs/dbraw/zinc/23/10/25/175231025.db2.gz JNFVBJBOSXOCGQ-UHFFFAOYSA-N 0 0 219.240 2.708 50 0 BFAARN COc1cccc(-c2ccc(C=O)cn2)c1 ZINC000002527547 175234707 /nfs/dbraw/zinc/23/47/07/175234707.db2.gz WQMRWAKAXPUVOH-UHFFFAOYSA-N 0 0 213.236 2.570 50 0 BFAARN COc1cccc(C(=O)c2ccc(F)c(F)c2)n1 ZINC000045028757 175247674 /nfs/dbraw/zinc/24/76/74/175247674.db2.gz PZCHGCZGAUASTM-UHFFFAOYSA-N 0 0 249.216 2.599 50 0 BFAARN COc1cccc(CS[C@H](C)[C@@H](C)O)c1 ZINC000079057017 175270449 /nfs/dbraw/zinc/27/04/49/175270449.db2.gz GUSBSIVXZHSHHJ-NXEZZACHSA-N 0 0 226.341 2.698 50 0 BFAARN COc1cccc(CS[C@@H](C)[C@@H](C)O)c1 ZINC000079057035 175270986 /nfs/dbraw/zinc/27/09/86/175270986.db2.gz GUSBSIVXZHSHHJ-ZJUUUORDSA-N 0 0 226.341 2.698 50 0 BFAARN COc1cccc(F)c1-c1cc(C)cnc1N ZINC000065424313 175273074 /nfs/dbraw/zinc/27/30/74/175273074.db2.gz ZZZQQDMUHZRHIK-UHFFFAOYSA-N 0 0 232.258 2.787 50 0 BFAARN COc1cccc(F)c1C(=O)NC1CCCC1 ZINC000000409515 175274253 /nfs/dbraw/zinc/27/42/53/175274253.db2.gz BGUIIOVAKSHPDT-UHFFFAOYSA-N 0 0 237.274 2.507 50 0 BFAARN COc1cccc(Nc2cc(C)ncn2)c1 ZINC000011902773 175280936 /nfs/dbraw/zinc/28/09/36/175280936.db2.gz QBSOLHABIBXBTN-UHFFFAOYSA-N 0 0 215.256 2.537 50 0 BFAARN COc1cccc(OC)c1C(=O)c1ccccc1 ZINC000000439426 175281451 /nfs/dbraw/zinc/28/14/51/175281451.db2.gz YLETYJUVHBZQHL-UHFFFAOYSA-N 0 0 242.274 2.935 50 0 BFAARN COc1cccc([C@@H]2CCCC[C@H]2O)c1OC ZINC000012371647 175289546 /nfs/dbraw/zinc/28/95/46/175289546.db2.gz XJDQMUVUAKSPLF-CMPLNLGQSA-N 0 0 236.311 2.722 50 0 BFAARN COc1cccc([C@H]2CCCC[C@H]2O)c1OC ZINC000012371648 175296033 /nfs/dbraw/zinc/29/60/33/175296033.db2.gz XJDQMUVUAKSPLF-ZYHUDNBSSA-N 0 0 236.311 2.722 50 0 BFAARN COc1cccc2c3c(c(C)nc12)C[C@@H](C)O3 ZINC000000245184 175306403 /nfs/dbraw/zinc/30/64/03/175306403.db2.gz MZPYLXKRBJRNSK-MRVPVSSYSA-N 0 0 229.279 2.875 50 0 biogenic BFAARN COc1cccc2ccc(-c3cc[nH]n3)nc21 ZINC000020481762 175307849 /nfs/dbraw/zinc/30/78/49/175307849.db2.gz ZNWCTMVPDGAVCA-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN COc1ccccc1C(=O)Nc1nc(C)cs1 ZINC000000069048 175319015 /nfs/dbraw/zinc/31/90/15/175319015.db2.gz DDWMQJLQFAHZTI-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 BFAARN COc1ccccc1C(=O)Nc1ccc(O)cc1 ZINC000000992982 175319135 /nfs/dbraw/zinc/31/91/35/175319135.db2.gz LXNXWBLKTWRVII-UHFFFAOYSA-N 0 0 243.262 2.653 50 0 BFAARN COc1ccccc1NCCOC(C)(C)C ZINC000095992744 175338096 /nfs/dbraw/zinc/33/80/96/175338096.db2.gz QHUGIEXOMDSJTN-UHFFFAOYSA-N 0 0 223.316 2.922 50 0 BFAARN COc1ccccc1OC(=O)C1CCCC1 ZINC000000363966 175339927 /nfs/dbraw/zinc/33/99/27/175339927.db2.gz ARQUEIPYLHWXIS-UHFFFAOYSA-N 0 0 220.268 2.791 50 0 BFAARN COc1ccccc1OCc1ccccn1 ZINC000095350378 175341594 /nfs/dbraw/zinc/34/15/94/175341594.db2.gz BWADOYZITPPVMN-UHFFFAOYSA-N 0 0 215.252 2.669 50 0 BFAARN COc1ccccc1[C@H](C)NC(=O)C=C(C)C ZINC000023154557 175350720 /nfs/dbraw/zinc/35/07/20/175350720.db2.gz MWASXIHQRPILFL-NSHDSACASA-N 0 0 233.311 2.839 50 0 BFAARN COc1ccncc1NCc1sc(C)nc1C ZINC000095430861 175375996 /nfs/dbraw/zinc/37/59/96/175375996.db2.gz XZEOIGRRCZDELS-UHFFFAOYSA-N 0 0 249.339 2.776 50 0 BFAARN CS[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000206690297 175568290 /nfs/dbraw/zinc/56/82/90/175568290.db2.gz IMYJZXHGTTTZNA-NSHDSACASA-N 0 0 236.340 2.656 50 0 BFAARN CSc1cccc(C(=O)Nc2cc(C)on2)c1 ZINC000004517535 175579640 /nfs/dbraw/zinc/57/96/40/175579640.db2.gz HQPKXBLACSZBFS-UHFFFAOYSA-N 0 0 248.307 2.957 50 0 BFAARN C[C@@H](COc1ccccc1)NC(=O)C(C)(C)C ZINC000055731343 175763256 /nfs/dbraw/zinc/76/32/56/175763256.db2.gz OXKYHHQGGVMYEQ-NSHDSACASA-N 0 0 235.327 2.616 50 0 BFAARN C[C@@H](Cc1ccc(F)cc1)Nc1cnn(C)c1 ZINC000132485485 175770349 /nfs/dbraw/zinc/77/03/49/175770349.db2.gz GNEWFXZUJMDKTP-JTQLQIEISA-N 0 0 233.290 2.602 50 0 BFAARN C[C@@H](NC(=O)C1CCCC1)c1ccco1 ZINC000032739445 175827058 /nfs/dbraw/zinc/82/70/58/175827058.db2.gz UMAIMZSZFNAMTR-SECBINFHSA-N 0 0 207.273 2.647 50 0 BFAARN C[C@@H](NC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000095469919 175835093 /nfs/dbraw/zinc/83/50/93/175835093.db2.gz AJNIJKSTNIFMFN-MRVPVSSYSA-N 0 0 226.707 2.672 50 0 BFAARN C[C@@H](NC(=O)NC1CCCCC1)c1ccccn1 ZINC000013744689 175837985 /nfs/dbraw/zinc/83/79/85/175837985.db2.gz FYIIUYIWILOZRM-LLVKDONJSA-N 0 0 247.342 2.775 50 0 BFAARN C[C@@H](OC(=O)c1cccn1C)c1ccccc1 ZINC000009057960 176001687 /nfs/dbraw/zinc/00/16/87/176001687.db2.gz CTYLXWOOPDQEED-LLVKDONJSA-N 0 0 229.279 2.943 50 0 BFAARN C[C@@H](OCc1ccc(F)cc1)n1ccnc1 ZINC000004631793 176003241 /nfs/dbraw/zinc/00/32/41/176003241.db2.gz CQUFGKPTGWLZKG-SNVBAGLBSA-N 0 0 220.247 2.758 50 0 BFAARN C[C@@H]1CC(=O)N1C12CC3CC(CC(C3)C1)C2 ZINC000005721978 176049286 /nfs/dbraw/zinc/04/92/86/176049286.db2.gz HGQHHCUMJFCKFI-GVDDXCRBSA-N 0 0 219.328 2.576 50 0 BFAARN C[C@@H]1CCCCN1C(=O)CSC(F)(F)F ZINC000044918100 176066382 /nfs/dbraw/zinc/06/63/82/176066382.db2.gz ULLJSJNEEMKWTC-SSDOTTSWSA-N 0 0 241.278 2.640 50 0 BFAARN C[C@@H]1CCCCN1C(=O)C(Cl)(Cl)Cl ZINC000000450139 176067062 /nfs/dbraw/zinc/06/70/62/176067062.db2.gz IMYPMKJGSFJCTO-ZCFIWIBFSA-N 0 0 244.549 2.758 50 0 BFAARN C[C@@H]1CCCCN1C(=O)c1c(F)cccc1F ZINC000000444520 176069125 /nfs/dbraw/zinc/06/91/25/176069125.db2.gz LOCJFGPYHWEXOR-SECBINFHSA-N 0 0 239.265 2.979 50 0 BFAARN C[C@@H]1CCCCN1C(=O)c1ccccc1F ZINC000000304533 176069147 /nfs/dbraw/zinc/06/91/47/176069147.db2.gz IIWANWHRNWXCRK-SNVBAGLBSA-N 0 0 221.275 2.840 50 0 BFAARN C[C@@H]1CCCCN1Cc1nnc(-c2ccco2)o1 ZINC000058013788 176074122 /nfs/dbraw/zinc/07/41/22/176074122.db2.gz DVAOUVRCSOEBRD-SNVBAGLBSA-N 0 0 247.298 2.704 50 0 BFAARN C[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000082319596 176091459 /nfs/dbraw/zinc/09/14/59/176091459.db2.gz YGNHXFMCSOHRIP-LLVKDONJSA-N 0 0 209.333 2.825 50 0 BFAARN C[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000032843729 176094733 /nfs/dbraw/zinc/09/47/33/176094733.db2.gz BJJIRGXHGXQQKS-NEPJUHHUSA-N 0 0 207.317 2.601 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC000040462546 176095573 /nfs/dbraw/zinc/09/55/73/176095573.db2.gz QAMZSXCFQIERHM-MRVPVSSYSA-N 0 0 227.691 2.805 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000000318805 176095903 /nfs/dbraw/zinc/09/59/03/176095903.db2.gz PUWFGBFVUFVYKS-SNVBAGLBSA-N 0 0 221.275 2.698 50 0 BFAARN C[C@@H]1CCCN(CC(=O)c2ccccc2F)C1 ZINC000003306805 176096406 /nfs/dbraw/zinc/09/64/06/176096406.db2.gz NCUQLIHPAJDEAY-LLVKDONJSA-N 0 0 235.302 2.740 50 0 BFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)NC1CCCC1 ZINC000013328226 176115416 /nfs/dbraw/zinc/11/54/16/176115416.db2.gz YUVDGWCUBSIXBY-GHMZBOCLSA-N 0 0 224.348 2.902 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccccn2)[C@@H]1C ZINC000006435772 176122816 /nfs/dbraw/zinc/12/28/16/176122816.db2.gz CWMQOLYRWYJRRD-IJLUTSLNSA-N 0 0 232.327 2.636 50 0 BFAARN C[C@@H]1CCCc2c1oc1c(c2=O)CCCC1 ZINC000000384449 176152834 /nfs/dbraw/zinc/15/28/34/176152834.db2.gz AHYATZNKVQSUPC-SECBINFHSA-N 0 0 218.296 2.958 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000042622897 176430472 /nfs/dbraw/zinc/43/04/72/176430472.db2.gz KNCUBBURLBIXPJ-LERXQTSPSA-N 0 0 229.323 2.788 50 0 BFAARN C[C@H](Cc1ccco1)NC(=O)C1CCCCC1 ZINC000036395888 176725054 /nfs/dbraw/zinc/72/50/54/176725054.db2.gz UBQYJURAICHVPI-LLVKDONJSA-N 0 0 235.327 2.907 50 0 BFAARN C[C@H](NC(=O)NCC1CC1)c1ccc(F)cc1 ZINC000012986632 176801279 /nfs/dbraw/zinc/80/12/79/176801279.db2.gz INFBLPLZFPJHBE-VIFPVBQESA-N 0 0 236.290 2.596 50 0 BFAARN C[C@H](NC(=O)[C@H]1CC1(C)C)c1ccccc1 ZINC000000050110 176813001 /nfs/dbraw/zinc/81/30/01/176813001.db2.gz WXZNHQPOEMNFDV-CMPLNLGQSA-N 0 0 217.312 2.910 50 0 BFAARN C[C@H](NC(=O)c1ccccc1)c1ccc(O)cc1 ZINC000001445994 176818915 /nfs/dbraw/zinc/81/89/15/176818915.db2.gz AIXMWCAPWLPPLG-NSHDSACASA-N 0 0 241.290 2.883 50 0 BFAARN C[C@H](NC(=O)c1cccc2cccnc21)C1CC1 ZINC000015480543 176819411 /nfs/dbraw/zinc/81/94/11/176819411.db2.gz OERHGFLAALXICW-JTQLQIEISA-N 0 0 240.306 2.763 50 0 BFAARN C[C@H](O)Cc1cccc(F)c1Br ZINC000078210668 177003193 /nfs/dbraw/zinc/00/31/93/177003193.db2.gz APWVEMXECIDNLR-LURJTMIESA-N 0 0 233.080 2.512 50 0 BFAARN C[C@H](O)[C@@H](O)C(c1ccccc1)c1ccccc1 ZINC000096319149 177007374 /nfs/dbraw/zinc/00/73/74/177007374.db2.gz UBXVULCUJFPOFQ-BLLLJJGKSA-N 0 0 242.318 2.560 50 0 BFAARN C[C@H](O)c1cccc(NC(=O)C2CCCC2)c1 ZINC000001017192 177017078 /nfs/dbraw/zinc/01/70/78/177017078.db2.gz GBQPHPIVXWBEII-JTQLQIEISA-N 0 0 233.311 2.869 50 0 BFAARN C[C@H](O)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000000408373 177018511 /nfs/dbraw/zinc/01/85/11/177018511.db2.gz SEKVBWUAFVMOOZ-BYPYZUCNSA-N 0 0 231.082 2.923 50 0 BFAARN C[C@H](OC[C@@H]1CO1)c1ccc(Cl)cc1 ZINC000003389627 177021095 /nfs/dbraw/zinc/02/10/95/177021095.db2.gz JGGQRANUJHVHLH-GZMMTYOYSA-N 0 0 212.676 2.816 50 0 BFAARN C[C@H](OCc1ccc(F)cc1)n1ccnc1 ZINC000000378151 177021745 /nfs/dbraw/zinc/02/17/45/177021745.db2.gz CQUFGKPTGWLZKG-JTQLQIEISA-N 0 0 220.247 2.758 50 0 BFAARN C[C@H](Oc1ccc(F)cc1)C(=O)NC(C)(C)C ZINC000042630855 177022286 /nfs/dbraw/zinc/02/22/86/177022286.db2.gz ZCTCXLSTPJRJIC-VIFPVBQESA-N 0 0 239.290 2.508 50 0 BFAARN C[C@H](Sc1nncn1C)c1ccc(F)cc1 ZINC000040456915 177031083 /nfs/dbraw/zinc/03/10/83/177031083.db2.gz MZSUVFNJTXUCGC-QMMMGPOBSA-N 0 0 237.303 2.808 50 0 BFAARN C[C@H](c1ccccc1)N1C(=O)OC(C)(C)[C@]1(C)O ZINC000000090605 177039499 /nfs/dbraw/zinc/03/94/99/177039499.db2.gz VYPJIHOZAOLARI-YGRLFVJLSA-N 0 0 249.310 2.687 50 0 BFAARN C[C@H]1CCCCN1C(=O)[C@H]1CC=CCC1 ZINC000006037518 177072760 /nfs/dbraw/zinc/07/27/60/177072760.db2.gz KRHYGGFLEBNTHQ-RYUDHWBXSA-N 0 0 207.317 2.744 50 0 BFAARN C[C@H]1CCCCN1C(=O)[C@H]1Cc2ccccc21 ZINC000071916453 177074287 /nfs/dbraw/zinc/07/42/87/177074287.db2.gz KQIIKRRNZJYVDH-FZMZJTMJSA-N 0 0 229.323 2.727 50 0 BFAARN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccccn1 ZINC000032787670 177080382 /nfs/dbraw/zinc/08/03/82/177080382.db2.gz YDVCNRVXMIOIGS-AAEUAGOBSA-N 0 0 232.327 2.732 50 0 BFAARN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccnc1 ZINC000032787705 177080509 /nfs/dbraw/zinc/08/05/09/177080509.db2.gz WRSZZFVMWLTOCR-AAEUAGOBSA-N 0 0 232.327 2.732 50 0 BFAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccnc(F)c1 ZINC000041038710 177082456 /nfs/dbraw/zinc/08/24/56/177082456.db2.gz XAUJYEPLUXYYNZ-ONGXEEELSA-N 0 0 236.290 2.529 50 0 BFAARN C[C@H]1CCCN(C(=O)c2c(F)cccc2F)C1 ZINC000001055066 177094563 /nfs/dbraw/zinc/09/45/63/177094563.db2.gz XPNHUIWKBJVXIW-VIFPVBQESA-N 0 0 239.265 2.837 50 0 BFAARN C[C@H]1CCCN(C(=O)c2cccnc2Cl)C1 ZINC000006253440 177095485 /nfs/dbraw/zinc/09/54/85/177095485.db2.gz HGAPFNVAUJPHIR-VIFPVBQESA-N 0 0 238.718 2.607 50 0 BFAARN C[C@H]1CCCN1c1cc(Cl)nc(Cl)n1 ZINC000086005574 177111894 /nfs/dbraw/zinc/11/18/94/177111894.db2.gz YVFNTAQAKYNCJN-LURJTMIESA-N 0 0 232.114 2.772 50 0 BFAARN C[C@@H]1CCC[C@H](C)N1NC(=O)Cc1ccccc1 ZINC000012489160 177116669 /nfs/dbraw/zinc/11/66/69/177116669.db2.gz VSXLRHWWXXDYSN-BETUJISGSA-N 0 0 246.354 2.523 50 0 BFAARN C[C@H]1CCC[C@@H](CC[N@@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000237521063 177118550 /nfs/dbraw/zinc/11/85/50/177118550.db2.gz OMAFQQGOPKTRBJ-RWMBFGLXSA-N 0 0 239.359 2.752 50 0 BFAARN C[C@H]1CCN(C(=O)Nc2cccnc2)[C@@H](C)C1 ZINC000095400069 177151027 /nfs/dbraw/zinc/15/10/27/177151027.db2.gz GJLGBBVJBBFWQW-QWRGUYRKSA-N 0 0 233.315 2.734 50 0 BFAARN C[C@H]1CN(Cc2cccc(Cl)c2)[C@@H](C)CO1 ZINC000109022657 177264734 /nfs/dbraw/zinc/26/47/34/177264734.db2.gz UEEJOQPFVHHBPB-QWRGUYRKSA-N 0 0 239.746 2.949 50 0 BFAARN C[C@H]1CN=C(Nc2ccccc2F)S1 ZINC000000086376 177281719 /nfs/dbraw/zinc/28/17/19/177281719.db2.gz WAORFBXSARWMHX-ZETCQYMHSA-N 0 0 210.277 2.729 50 0 BFAARN C[C@@H]1COC[C@H](C)N1C(=O)CC1=CCCCC1 ZINC000098012942 177297666 /nfs/dbraw/zinc/29/76/66/177297666.db2.gz FAERIPLOYBJPBX-TXEJJXNPSA-N 0 0 237.343 2.513 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)C[C@H]2C=CCC2)C1 ZINC000032747732 177311579 /nfs/dbraw/zinc/31/15/79/177311579.db2.gz XBRHKOKFAOVBSD-XQQFMLRXSA-N 0 0 221.344 2.847 50 0 BFAARN C[C@H]1C[C@H](Sc2ncccc2Cl)C(=O)O1 ZINC000040493675 177374474 /nfs/dbraw/zinc/37/44/74/177374474.db2.gz PXAPMOVMHCGKJK-XPUUQOCRSA-N 0 0 243.715 2.531 50 0 BFAARN C[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000003433564 177377177 /nfs/dbraw/zinc/37/71/77/177377177.db2.gz LDOICKODKWUUEX-OIBJUYFYSA-N 0 0 209.676 2.935 50 0 BFAARN C[C@H]1Cc2c(cccc2Br)C1=O ZINC000022863140 177387896 /nfs/dbraw/zinc/38/78/96/177387896.db2.gz AHMJTIYXKJRVFF-LURJTMIESA-N 0 0 225.085 2.824 50 0 BFAARN C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccco1 ZINC000071894487 177391848 /nfs/dbraw/zinc/39/18/48/177391848.db2.gz WMIVYMCADBSEON-HZMBPMFUSA-N 0 0 241.290 2.943 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)NCC2CC2)[C@H]1C ZINC000225442938 177425153 /nfs/dbraw/zinc/42/51/53/177425153.db2.gz DJSSVJKLIDNHMN-JFGNBEQYSA-N 0 0 224.348 2.520 50 0 BFAARN C[S@@](=O)c1ccc(NCC(C)(C)C)cc1 ZINC000095428772 177493686 /nfs/dbraw/zinc/49/36/86/177493686.db2.gz AJHVYRAUOFBTKZ-HNNXBMFYSA-N 0 0 225.357 2.882 50 0 BFAARN Cc1c(C(=O)Nc2cccc(Cl)c2)cnn1C ZINC000024013497 177570016 /nfs/dbraw/zinc/57/00/16/177570016.db2.gz XJUUNKCEOQURGL-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN Cc1c(N)n(-c2ccccc2)nc1C1CC1 ZINC000036938494 177576522 /nfs/dbraw/zinc/57/65/22/177576522.db2.gz GAQBJEXMBMICJO-UHFFFAOYSA-N 0 0 213.284 2.640 50 0 BFAARN Cc1c(Cl)cccc1NC(=O)SCCO ZINC000002166026 177602647 /nfs/dbraw/zinc/60/26/47/177602647.db2.gz TXOIUWDWTSUQPL-UHFFFAOYSA-N 0 0 245.731 2.906 50 0 BFAARN Cc1cc([C@H](C)NCc2cccnc2C)no1 ZINC000669686778 487647899 /nfs/dbraw/zinc/64/78/99/487647899.db2.gz LKNHCBGEUPFJAG-NSHDSACASA-N 0 0 231.299 2.537 50 0 BFAARN CN(C)c1cc(Cl)c2ccccc2n1 ZINC000039245341 487658612 /nfs/dbraw/zinc/65/86/12/487658612.db2.gz VENWJRWTKNUVSK-UHFFFAOYSA-N 0 0 206.676 2.954 50 0 BFAARN CCOC(=O)[C@]1(C)C2=C(CCC2=O)CC[C@H]1C ZINC000045071821 262790372 /nfs/dbraw/zinc/79/03/72/262790372.db2.gz ILALNAMAFMHOCC-OTYXRUKQSA-N 0 0 236.311 2.645 50 0 BFAARN Cc1oncc1CN1CCC[C@H]1C(F)(F)F ZINC000527629361 262866243 /nfs/dbraw/zinc/86/62/43/262866243.db2.gz IMSVYQWXSOZNAS-VIFPVBQESA-N 0 0 234.221 2.510 50 0 BFAARN C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000058003584 487750113 /nfs/dbraw/zinc/75/01/13/487750113.db2.gz MHJYFVKQUMFNTH-SSDOTTSWSA-N 0 0 204.191 2.629 50 0 BFAARN CN(CCC1CCCCC1)C(=O)c1ccon1 ZINC000072072743 487806963 /nfs/dbraw/zinc/80/69/63/487806963.db2.gz CNCLBGOKUXFRLX-UHFFFAOYSA-N 0 0 236.315 2.717 50 0 BFAARN CC/C=C(\C)C(=O)N[C@@H](C)c1ccncc1 ZINC000046041944 487870978 /nfs/dbraw/zinc/87/09/78/487870978.db2.gz OTOHBJPCRLPNHV-UAWPZABVSA-N 0 0 218.300 2.615 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N(C1CC1)C1CCCC1 ZINC000089920374 487884871 /nfs/dbraw/zinc/88/48/71/487884871.db2.gz PLVBODNSYBCJJQ-BXKDBHETSA-N 0 0 207.317 2.576 50 0 BFAARN Cc1nc(C)c([C@@H](C)NC(=O)C(C)C)s1 ZINC000048815538 487931951 /nfs/dbraw/zinc/93/19/51/487931951.db2.gz ZECWVBZTKUPZEE-MRVPVSSYSA-N 0 0 226.345 2.593 50 0 BFAARN Cn1cnc2cc(NCc3ccccn3)ccc21 ZINC000000423361 322809826 /nfs/dbraw/zinc/80/98/26/322809826.db2.gz YKAXLZRSPLSNQM-UHFFFAOYSA-N 0 0 238.294 2.580 50 0 BFAARN CC1(C)C[C@@H]1C(=O)NCCSc1ccccc1 ZINC000151954175 323077452 /nfs/dbraw/zinc/07/74/52/323077452.db2.gz XPGWMFLZDHRICZ-GFCCVEGCSA-N 0 0 249.379 2.941 50 0 BFAARN COCCCc1cc(C)c(Br)cn1 ZINC000536954285 323962498 /nfs/dbraw/zinc/96/24/98/323962498.db2.gz OXKFBQICYQFIRB-UHFFFAOYSA-N 0 0 244.132 2.732 50 0 BFAARN Cc1cccc(NC(=O)N[C@H]2C=CCCC2)n1 ZINC000122725297 324054514 /nfs/dbraw/zinc/05/45/14/324054514.db2.gz HYFQKRDUYSRXFF-NSHDSACASA-N 0 0 231.299 2.620 50 0 BFAARN CC(=O)c1cc(Br)c(C)c(C)c1O ZINC000214417152 487962526 /nfs/dbraw/zinc/96/25/26/487962526.db2.gz STFOMXGHJGCSOI-UHFFFAOYSA-N 0 0 243.100 2.974 50 0 BFAARN CC(C)CCC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000046488808 487968449 /nfs/dbraw/zinc/96/84/49/487968449.db2.gz WHQLYCLIFYTQKW-OLZOCXBDSA-N 0 0 239.359 2.593 50 0 BFAARN COc1ncccc1C(=O)OCc1ccsc1 ZINC000091697245 488059831 /nfs/dbraw/zinc/05/98/31/488059831.db2.gz RTCOMCKSKMBBEN-UHFFFAOYSA-N 0 0 249.291 2.509 50 0 BFAARN Cc1cnc([C@H](C)N2CCC[C@@](C)(F)C2)o1 ZINC000336275366 487537791 /nfs/dbraw/zinc/53/77/91/487537791.db2.gz IZUBONNENREMDT-CMPLNLGQSA-N 0 0 226.295 2.868 50 0 BFAARN Cn1cc(-c2cccc3ccncc32)cn1 ZINC000074451655 487545143 /nfs/dbraw/zinc/54/51/43/487545143.db2.gz IDRLDOUILMMJHX-UHFFFAOYSA-N 0 0 209.252 2.635 50 0 BFAARN OCC(F)(F)c1ccc(Br)cc1 ZINC000112937780 487548305 /nfs/dbraw/zinc/54/83/05/487548305.db2.gz HMFWHVWSQMOVMQ-UHFFFAOYSA-N 0 0 237.043 2.533 50 0 BFAARN NC(=O)Nc1cccc(C(F)F)c1Cl ZINC000335165231 490281258 /nfs/dbraw/zinc/28/12/58/490281258.db2.gz RANIGNZLBWXHSS-UHFFFAOYSA-N 0 0 220.606 2.768 50 0 BFAARN CC(C)(C)NC(=O)Cc1ccc(Cl)cc1F ZINC000071754860 491121882 /nfs/dbraw/zinc/12/18/82/491121882.db2.gz MRWYUXZAWHZCNK-UHFFFAOYSA-N 0 0 243.709 2.936 50 0 BFAARN CC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000076213101 491125207 /nfs/dbraw/zinc/12/52/07/491125207.db2.gz LQCXLVXTCVSHHR-UHFFFAOYSA-N 0 0 245.326 2.829 50 0 BFAARN C[C@@H](O)c1ccc(Br)cc1 ZINC000000388278 533863912 /nfs/dbraw/zinc/86/39/12/533863912.db2.gz XTDTYSBVMBQIBT-ZCFIWIBFSA-N 0 0 201.063 2.502 50 0 BFAARN Fc1ccc(-c2cn3cccnc3n2)cc1 ZINC000000071135 518196001 /nfs/dbraw/zinc/19/60/01/518196001.db2.gz BXNLTAIOFQRLJP-UHFFFAOYSA-N 0 0 213.215 2.535 50 0 BFAARN Fc1ccc(-c2nnc(-c3ccccn3)o2)cc1 ZINC000020717786 518196058 /nfs/dbraw/zinc/19/60/58/518196058.db2.gz LEPBEIQUHPCEFI-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN CC(=O)c1cccc(COC(=O)c2ccco2)c1 ZINC000089331308 518421845 /nfs/dbraw/zinc/42/18/45/518421845.db2.gz KQGYAZIOFYUFLS-UHFFFAOYSA-N 0 0 244.246 2.839 50 0 BFAARN CC(C)c1nnc(NC(=O)c2ccco2)s1 ZINC000018066474 519890452 /nfs/dbraw/zinc/89/04/52/519890452.db2.gz HZLAEUNOAICPNN-UHFFFAOYSA-N 0 0 237.284 2.507 50 0 BFAARN CCN(CC(=O)OC1(C)CCC1)c1ccccc1 ZINC000089961004 520386598 /nfs/dbraw/zinc/38/65/98/520386598.db2.gz FZEANPUGOOXUEU-UHFFFAOYSA-N 0 0 247.338 2.999 50 0 BFAARN CCCCS(=O)(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000245237825 520940472 /nfs/dbraw/zinc/94/04/72/520940472.db2.gz YKMHRJYVUGTDFJ-QJPTWQEYSA-N 0 0 247.404 2.531 50 0 BFAARN CCCC[C@H](CC)COCCN1CCOCC1 ZINC000019911998 521180236 /nfs/dbraw/zinc/18/02/36/521180236.db2.gz YAQPSASHYXBWDP-AWEZNQCLSA-N 0 0 243.391 2.552 50 0 BFAARN CC[C@@H](NC(=O)C1CC=CC1)c1cc(C)ccn1 ZINC000244787950 522669034 /nfs/dbraw/zinc/66/90/34/522669034.db2.gz QGXOSHKOQUAHSV-CYBMUJFWSA-N 0 0 244.338 2.924 50 0 BFAARN CCc1ocnc1C(=O)OCC1CCCCC1 ZINC000071916278 523028910 /nfs/dbraw/zinc/02/89/10/523028910.db2.gz CLILDXPNTFOYQO-UHFFFAOYSA-N 0 0 237.299 2.974 50 0 BFAARN Cc1cccc(N2CCO[C@H](c3ccco3)C2)n1 ZINC000157924250 524564669 /nfs/dbraw/zinc/56/46/69/524564669.db2.gz SJGPOJVQAZKJSB-ZDUSSCGKSA-N 0 0 244.294 2.561 50 0 BFAARN CC(=O)[C@H](C)N1CCCc2cc(C)ccc21 ZINC000035036681 534793011 /nfs/dbraw/zinc/79/30/11/534793011.db2.gz XUCXDXDMAURJCM-NSHDSACASA-N 0 0 217.312 2.725 50 0 BFAARN C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(C)C2CC2)o1 ZINC000065516647 524858171 /nfs/dbraw/zinc/85/81/71/524858171.db2.gz JSBSTHQIWUGXDZ-GWCFXTLKSA-N 0 0 247.338 2.956 50 0 BFAARN C[C@H](CC(=O)NCc1cc[nH]n1)C1CCCCC1 ZINC000071853766 526242621 /nfs/dbraw/zinc/24/26/21/526242621.db2.gz LATRFEZNYVDDGH-LLVKDONJSA-N 0 0 249.358 2.632 50 0 BFAARN Cc1nc(SCCOc2ccccc2C)n[nH]1 ZINC000011658750 526532772 /nfs/dbraw/zinc/53/27/72/526532772.db2.gz QQDGEJRSYQRGSA-UHFFFAOYSA-N 0 0 249.339 2.593 50 0 BFAARN CC(C)[C@H](CC(N)=O)c1c[nH]c2ccccc21 ZINC000101788991 528980949 /nfs/dbraw/zinc/98/09/49/528980949.db2.gz LXRQEUSONQVVAG-NSHDSACASA-N 0 0 230.311 2.783 50 0 BFAARN CC(C)CN1c2ccccc2[C@H](C(N)=O)C[C@H]1C ZINC000071811783 535146848 /nfs/dbraw/zinc/14/68/48/535146848.db2.gz VTGDSTLWPQUNJA-DGCLKSJQSA-N 0 0 246.354 2.510 50 0 BFAARN CCC(=O)N1C[C@@H](C)Oc2ccc(C)cc21 ZINC000064554701 535315968 /nfs/dbraw/zinc/31/59/68/535315968.db2.gz NARUTXLWWZFSRB-SNVBAGLBSA-N 0 0 219.284 2.519 50 0 BFAARN CCN(C)c1cc(Oc2cccc(F)c2)ncn1 ZINC000037377826 566458705 /nfs/dbraw/zinc/45/87/05/566458705.db2.gz UIVPMPHNUVHTEH-UHFFFAOYSA-N 0 0 247.273 2.864 50 0 BFAARN C=CC(=O)N[C@@H](c1ccc(F)cc1)C1CC1 ZINC000888102322 583182712 /nfs/dbraw/zinc/18/27/12/583182712.db2.gz MCTLDORPIAYQBK-CYBMUJFWSA-N 0 0 219.259 2.579 50 0 BFAARN COC(C[C@@H](C)CCCC(C)(C)O)OC ZINC000001707854 574411469 /nfs/dbraw/zinc/41/14/69/574411469.db2.gz QCJVKUULZGKQDG-JTQLQIEISA-N 0 0 218.337 2.573 50 0 endogenous,in-man BFAARN CCc1ccc(C(=O)Nc2cccnc2C)o1 ZINC000073348225 582682019 /nfs/dbraw/zinc/68/20/19/582682019.db2.gz HBEKSOYWJHJZMD-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN C=CC(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000202357745 583079846 /nfs/dbraw/zinc/07/98/46/583079846.db2.gz RGFTZYZSMJBKJK-UHFFFAOYSA-N 0 0 247.313 2.793 50 0 BFAARN C=CC(=O)NC[C@H]1C[C@@]12CCCc1ccccc12 ZINC000888102152 583181933 /nfs/dbraw/zinc/18/19/33/583181933.db2.gz IWRZTNVTIBVOAG-CJNGLKHVSA-N 0 0 241.334 2.583 50 0 BFAARN Cc1cc(C)nc(N=NCc2ccccc2)n1 ZINC000015919592 583390230 /nfs/dbraw/zinc/39/02/30/583390230.db2.gz AYTYJXVNZZYPMI-UHFFFAOYSA-N 0 0 226.283 2.539 50 0 BFAARN O=C(c1cnccc1Cl)N1CCCCCC1 ZINC000088109184 584907504 /nfs/dbraw/zinc/90/75/04/584907504.db2.gz AOMHSDYSKIQSGV-UHFFFAOYSA-N 0 0 238.718 2.751 50 0 BFAARN Cc1ccc(F)cc1C=Cc1nccc(=O)[nH]1 ZINC000777918275 585723702 /nfs/dbraw/zinc/72/37/02/585723702.db2.gz LBYNWTPYSANUBA-HYXAFXHYSA-N 0 0 230.242 2.800 50 0 BFAARN C=CC(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000791324129 585977327 /nfs/dbraw/zinc/97/73/27/585977327.db2.gz UOTQOMDLQVADHT-JTQLQIEISA-N 0 0 237.299 2.665 50 0 BFAARN C=CC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000848979436 588422472 /nfs/dbraw/zinc/42/24/72/588422472.db2.gz WMKVOZSWMDJNSZ-ZYHUDNBSSA-N 0 0 233.286 2.716 50 0 BFAARN C=CC(=O)NC1(c2cccc(C)c2)CCC1 ZINC000863970175 589328343 /nfs/dbraw/zinc/32/83/43/589328343.db2.gz CJBRWVYWAJFSNN-UHFFFAOYSA-N 0 0 215.296 2.676 50 0 BFAARN C=CC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000863971383 589330551 /nfs/dbraw/zinc/33/05/51/589330551.db2.gz QZPSTAIWTALKPD-KFWWJZLASA-N 0 0 241.334 2.967 50 0 BFAARN CC(=O)[C@@H](C)SCc1nc(C(C)C)ns1 ZINC000863982326 589333455 /nfs/dbraw/zinc/33/34/55/589333455.db2.gz CDRPOKIWGGJPNI-MRVPVSSYSA-N 0 0 244.385 2.872 50 0 BFAARN CC[C@@H](SC)c1nc(-c2nc(C)c[nH]2)no1 ZINC000864096516 589344871 /nfs/dbraw/zinc/34/48/71/589344871.db2.gz CCSFJWFNTNHUTN-SSDOTTSWSA-N 0 0 238.316 2.582 50 0 BFAARN C/C=C(/F)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000885971545 592119356 /nfs/dbraw/zinc/11/93/56/592119356.db2.gz NOCJOUWGVCSRJJ-HMCFADQJSA-N 0 0 249.285 2.890 50 0 BFAARN CSc1ccc(-c2cccs2)nn1 ZINC000006858739 635554248 /nfs/dbraw/zinc/55/42/48/635554248.db2.gz KJROCLNECYKWTM-UHFFFAOYSA-N 0 0 208.311 2.927 50 0 BFAARN C(=C\c1ccccn1)\c1nc(C2CC2)no1 ZINC000098052728 631682037 /nfs/dbraw/zinc/68/20/37/631682037.db2.gz VNULEYMNNUFQBT-SREVYHEPSA-N 0 0 213.240 2.512 50 0 BFAARN CC(=O)C(CCCOc1ccccc1)C(C)=O ZINC000023115359 632041126 /nfs/dbraw/zinc/04/11/26/632041126.db2.gz MENZRBGPZFGASE-UHFFFAOYSA-N 0 0 234.295 2.640 50 0 BFAARN CCCCCC(=O)c1c(C)nn(C)c1C ZINC000003162987 633054615 /nfs/dbraw/zinc/05/46/15/633054615.db2.gz SPBHEAOFRDOQPG-UHFFFAOYSA-N 0 0 208.305 2.800 50 0 BFAARN C=CC(=O)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000888098429 635376304 /nfs/dbraw/zinc/37/63/04/635376304.db2.gz FRDLTZFWPWEWNI-MRVPVSSYSA-N 0 0 233.242 2.935 50 0 BFAARN C=CC(=O)N(C)c1ccc2nc(C)sc2c1 ZINC000888098769 635377139 /nfs/dbraw/zinc/37/71/39/635377139.db2.gz MVCWWIZQCIGYLN-UHFFFAOYSA-N 0 0 232.308 2.754 50 0 BFAARN CC(C)[C@@H](C(=O)N1CCC(C)CC1)n1cccc1 ZINC000888103913 635383341 /nfs/dbraw/zinc/38/33/41/635383341.db2.gz KNXGIBQLRBLABL-AWEZNQCLSA-N 0 0 248.370 2.944 50 0 BFAARN CC(=O)c1cccnc1NC(=O)OC(C)(C)C ZINC000165989675 640606512 /nfs/dbraw/zinc/60/65/12/640606512.db2.gz YJQDHZWWEIUCIS-UHFFFAOYSA-N 0 0 236.271 2.631 50 0 BFAARN OCc1cc(-c2cc3ccccc3o2)ccn1 ZINC000032553372 641371049 /nfs/dbraw/zinc/37/10/49/641371049.db2.gz JXGADBYKILQNDI-UHFFFAOYSA-N 0 0 225.247 2.987 50 0 BFAARN C/C=C/CSCC(=O)N[C@@H](C)c1ccco1 ZINC000078797206 641954904 /nfs/dbraw/zinc/95/49/04/641954904.db2.gz UKNPALACWZRMNG-FSIBCCDJSA-N 0 0 239.340 2.766 50 0 BFAARN O=C(/C=C\c1cccs1)N1CCCCC1 ZINC000033316651 642058303 /nfs/dbraw/zinc/05/83/03/642058303.db2.gz ZGYJRCNUWVKODW-SREVYHEPSA-N 0 0 221.325 2.774 50 0 BFAARN C/C=C\CCNC(=O)c1ccccc1C(C)=O ZINC000098016141 642654528 /nfs/dbraw/zinc/65/45/28/642654528.db2.gz MCJQAAGZNOPQCH-ARJAWSKDSA-N 0 0 231.295 2.585 50 0 BFAARN Oc1ccccc1C=NNc1ccccc1O ZINC000254312889 642711501 /nfs/dbraw/zinc/71/15/01/642711501.db2.gz YESOBYRBBGNSJT-UHFFFAOYSA-N 0 0 228.251 2.544 50 0 BFAARN Cn1c2ccncc2nc1-c1cccs1 ZINC000000198032 642750715 /nfs/dbraw/zinc/75/07/15/642750715.db2.gz IOHHOFMDLJDFTB-UHFFFAOYSA-N 0 0 215.281 2.697 50 0 BFAARN Cc1cc(C)c(C)c(OCCn2ccnc2)c1 ZINC000000431607 642773287 /nfs/dbraw/zinc/77/32/87/642773287.db2.gz DSKKGRGVRYMTNJ-UHFFFAOYSA-N 0 0 230.311 2.887 50 0 BFAARN CC(C)(C)C(=O)C[C@](C)(O)c1ccccc1 ZINC000000436885 642774117 /nfs/dbraw/zinc/77/41/17/642774117.db2.gz MJVVTTZERBQOJR-AWEZNQCLSA-N 0 0 220.312 2.899 50 0 BFAARN Cc1nnc(Nc2ccc(C)cc2)s1 ZINC000006702957 643139931 /nfs/dbraw/zinc/13/99/31/643139931.db2.gz HSJREVUIKVBBNT-UHFFFAOYSA-N 0 0 205.286 2.899 50 0 BFAARN Cc1cc(C(=O)N2CCCC[C@H]2C)c(C)n1C ZINC000298271260 643607513 /nfs/dbraw/zinc/60/75/13/643607513.db2.gz JKCNDFSCBRBMJX-SNVBAGLBSA-N 0 0 234.343 2.657 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)Nc1ccnn1C1CCCCC1 ZINC000012890354 643781427 /nfs/dbraw/zinc/78/14/27/643781427.db2.gz WXFANLOVBLDDNV-ZYHUDNBSSA-N 0 0 247.342 2.983 50 0 BFAARN C/C=C(/C)C(=O)Nc1ccc2c(c1)NCCC2 ZINC000195542902 644395776 /nfs/dbraw/zinc/39/57/76/644395776.db2.gz NKDHWUVYCBFYQA-KMKOMSMNSA-N 0 0 230.311 2.949 50 0 BFAARN CC[C@@H]1C=CCN1C(=O)c1ccc(C(C)=O)s1 ZINC000952969980 644447385 /nfs/dbraw/zinc/44/73/85/644447385.db2.gz KUZBGNVJJAEKHF-SNVBAGLBSA-N 0 0 249.335 2.741 50 0 BFAARN CC1(C)CCc2nnc(-c3ccccc3)n2C1 ZINC000952993541 644449121 /nfs/dbraw/zinc/44/91/21/644449121.db2.gz YWJWGDUZJIURRM-UHFFFAOYSA-N 0 0 227.311 2.918 50 0 BFAARN CC(C)(C)[C@]12C=C[C@@]1(C(C)(C)C)[C@@](C)(O)C2=O ZINC000022064390 645791360 /nfs/dbraw/zinc/79/13/60/645791360.db2.gz PGVKVVAMESVVFG-RRFJBIMHSA-N 0 0 236.355 2.955 50 0 BFAARN O=C1O[C@H](c2ccccc2)C[C@@H]1C(F)(F)F ZINC000004266450 645862904 /nfs/dbraw/zinc/86/29/04/645862904.db2.gz VMFJOFAAYDXZBX-IUCAKERBSA-N 0 0 230.185 2.853 50 0 BFAARN COc1ccc(Cl)cc1-c1cccc(N)n1 ZINC000038069035 712805044 /nfs/dbraw/zinc/80/50/44/712805044.db2.gz ZPMFQPRMNWAYAO-UHFFFAOYSA-N 0 0 234.686 2.993 50 0 BFAARN NC(=O)c1ccc(-c2cccc(Cl)c2)nc1 ZINC000032537390 711843200 /nfs/dbraw/zinc/84/32/00/711843200.db2.gz HYNRCOLCRYCNPU-UHFFFAOYSA-N 0 0 232.670 2.501 50 0 BFAARN Cc1cc(C)c(CN(C)Cc2ncc[nH]2)cc1C ZINC000065505425 712626086 /nfs/dbraw/zinc/62/60/86/712626086.db2.gz SOYHZMVICRTNJF-UHFFFAOYSA-N 0 0 243.354 2.967 50 0 BFAARN CCSCCSCc1cccnc1N ZINC000585119145 972149925 /nfs/dbraw/zinc/14/99/25/972149925.db2.gz TVYXYZBBTJLLJR-UHFFFAOYSA-N 0 0 228.386 2.650 50 0 BFAARN CCC(CC)CN(CC)C(=O)c1nc(C)c[nH]1 ZINC000585135481 972170848 /nfs/dbraw/zinc/17/08/48/972170848.db2.gz MGRNJDNIYZUMCN-UHFFFAOYSA-N 0 0 237.347 2.616 50 0 BFAARN O=C(NCC(c1ccco1)c1ccco1)C1CC1 ZINC000675007759 960432802 /nfs/dbraw/zinc/43/28/02/960432802.db2.gz NZLZJKQEAZNSIM-UHFFFAOYSA-N 0 0 245.278 2.531 50 0 BFAARN CC(C)(C)c1ccc(O[C@@H]2CCSC2)nn1 ZINC000585652635 961148548 /nfs/dbraw/zinc/14/85/48/961148548.db2.gz QROODKZXNBSORA-SECBINFHSA-N 0 0 238.356 2.658 50 0 BFAARN c1ccc2c(c1)nccc2OC[C@@H]1CCCO1 ZINC000585652441 961149022 /nfs/dbraw/zinc/14/90/22/961149022.db2.gz ZXZCLCIMLNXVDD-NSHDSACASA-N 0 0 229.279 2.793 50 0 BFAARN CCO[C@H](C)c1ccc(-c2cc(=O)[nH]cn2)cc1 ZINC001506410003 964401021 /nfs/dbraw/zinc/40/10/21/964401021.db2.gz QLLPEJATIODAOO-SNVBAGLBSA-N 0 0 244.294 2.947 50 0 BFAARN OCc1cccc(-c2cnc3ccccc3n2)c1 ZINC000032561078 965508211 /nfs/dbraw/zinc/50/82/11/965508211.db2.gz WKGLIDBCAFOQSW-UHFFFAOYSA-N 0 0 236.274 2.789 50 0 BFAARN CCOc1ccc(Cc2nnc(C(C)C)[nH]2)cc1 ZINC000823376610 967877344 /nfs/dbraw/zinc/87/73/44/967877344.db2.gz AARPZDBQHMKOMH-UHFFFAOYSA-N 0 0 245.326 2.918 50 0 BFAARN Cc1cc(-c2n[nH]c(CC(C)C)n2)cc(C)c1O ZINC000821471684 968492366 /nfs/dbraw/zinc/49/23/66/968492366.db2.gz YGOGUIAZSOEDAD-UHFFFAOYSA-N 0 0 245.326 2.993 50 0 BFAARN C[C@@H](c1nc(-c2ccco2)n[nH]1)N1CCCCC1 ZINC000822182791 968510575 /nfs/dbraw/zinc/51/05/75/968510575.db2.gz XZLQOOGGESUWKM-JTQLQIEISA-N 0 0 246.314 2.612 50 0 BFAARN CC[C@H](OC)C(=O)NC1(c2cccc(C)c2)CC1 ZINC000822551410 968525565 /nfs/dbraw/zinc/52/55/65/968525565.db2.gz IWJRMWPQWZRTRD-ZDUSSCGKSA-N 0 0 247.338 2.525 50 0 BFAARN CSCc1nc(C)nn1Cc1ccc(C)cc1 ZINC000824920115 968625297 /nfs/dbraw/zinc/62/52/97/968625297.db2.gz RZZYUIGDZXVODQ-UHFFFAOYSA-N 0 0 247.367 2.806 50 0 BFAARN C[C@H](NC(=O)NC(C)(C)C)C1=CCCCC1 ZINC000827989694 968738689 /nfs/dbraw/zinc/73/86/89/968738689.db2.gz WDPOSVRRDFCCQQ-JTQLQIEISA-N 0 0 224.348 2.973 50 0 BFAARN Cc1cc(OC2CCC2)nc(C2CC2)n1 ZINC000585651003 973916833 /nfs/dbraw/zinc/91/68/33/973916833.db2.gz ICFXDHCDWLVZNB-UHFFFAOYSA-N 0 0 204.273 2.594 50 0 BFAARN Cc1nccc(O[C@H]2CCc3ccccc32)n1 ZINC000585651774 973918885 /nfs/dbraw/zinc/91/88/85/973918885.db2.gz HDTRGQMRHIUNDX-ZDUSSCGKSA-N 0 0 226.279 2.851 50 0 BFAARN c1cc2ncnc(OC3CCC3)c2s1 ZINC000585651898 973919727 /nfs/dbraw/zinc/91/97/27/973919727.db2.gz IJAYOTNYAKURNS-UHFFFAOYSA-N 0 0 206.270 2.623 50 0 BFAARN c1ccc2nc(O[C@H]3CCSC3)cnc2c1 ZINC000585652139 973921034 /nfs/dbraw/zinc/92/10/34/973921034.db2.gz LCYJNDNHLSEKDO-VIFPVBQESA-N 0 0 232.308 2.514 50 0 BFAARN FC(F)(F)c1ccnc(OC[C@H]2CCCO2)c1 ZINC000585654018 973924008 /nfs/dbraw/zinc/92/40/08/973924008.db2.gz BKCIKXNUVZQWOL-SECBINFHSA-N 0 0 247.216 2.658 50 0 BFAARN c1ccc2sc(OC3CCOCC3)nc2c1 ZINC000585654235 973929617 /nfs/dbraw/zinc/92/96/17/973929617.db2.gz FPVSHYOBAMBJDP-UHFFFAOYSA-N 0 0 235.308 2.854 50 0 BFAARN C=CC(=O)N1C[C@@H](c2ccsc2)C[C@@H]1C ZINC000952834759 974049281 /nfs/dbraw/zinc/04/92/81/974049281.db2.gz LECGJEFCAQCBFY-ONGXEEELSA-N 0 0 221.325 2.639 50 0 BFAARN C=CC(=O)N1C[C@H](c2ccsc2)C[C@H]1C ZINC000952834758 974051704 /nfs/dbraw/zinc/05/17/04/974051704.db2.gz LECGJEFCAQCBFY-MWLCHTKSSA-N 0 0 221.325 2.639 50 0 BFAARN C=CC(=O)N1CCC[C@]1(C)Cc1cccs1 ZINC000952879952 974057790 /nfs/dbraw/zinc/05/77/90/974057790.db2.gz AWMHXYXMDGFZTQ-CYBMUJFWSA-N 0 0 235.352 2.858 50 0 BFAARN C=CC(=O)N1CCCC[C@@H]1c1nc(C)cs1 ZINC000952888438 974067348 /nfs/dbraw/zinc/06/73/48/974067348.db2.gz ZGGCRWBOEVDSPI-SNVBAGLBSA-N 0 0 236.340 2.691 50 0 BFAARN Cc1cccc(Nc2nc(C)cc(C)n2)n1 ZINC000238497833 982939341 /nfs/dbraw/zinc/93/93/41/982939341.db2.gz WQOVDVMOPBVJTO-UHFFFAOYSA-N 0 0 214.272 2.540 50 0 BFAARN COCC1(CNc2ccc(C(C)C)nn2)CCC1 ZINC001506421975 988778425 /nfs/dbraw/zinc/77/84/25/988778425.db2.gz MIVWTQUGIPYHBQ-UHFFFAOYSA-N 0 0 249.358 2.829 50 0 BFAARN CCc1nn(C)cc1-c1cc(F)ccc1OC ZINC001506419675 988779873 /nfs/dbraw/zinc/77/98/73/988779873.db2.gz IASJKDPUSAWRGY-UHFFFAOYSA-N 0 0 234.274 2.797 50 0 BFAARN CCCn1nc(C)c(NC(=O)c2ccoc2)c1C ZINC001506421729 988780571 /nfs/dbraw/zinc/78/05/71/988780571.db2.gz UPOYNFLRZGQVDL-UHFFFAOYSA-N 0 0 247.298 2.755 50 0 BFAARN CCC(CC)n1nccc1NC(=O)C1CCC1 ZINC001529100134 990330268 /nfs/dbraw/zinc/33/02/68/990330268.db2.gz NWVDMRBPCAOPHK-UHFFFAOYSA-N 0 0 235.331 2.983 50 0 BFAARN Cc1cc(C)cc(OCC(=O)N2CCCCC2)c1 ZINC000014400014 177910469 /nfs/dbraw/zinc/91/04/69/177910469.db2.gz OXBRYPURIUHYQB-UHFFFAOYSA-N 0 0 247.338 2.695 50 0 BFAARN Cc1cc(C)cc([C@H](O)C(F)(F)F)c1 ZINC000009477689 177918782 /nfs/dbraw/zinc/91/87/82/177918782.db2.gz DQTXEAKXIGCGEJ-VIFPVBQESA-N 0 0 204.191 2.899 50 0 BFAARN CCC(CC)(CC)NC(=O)Nc1cnn(C)c1 ZINC000096433851 168316402 /nfs/dbraw/zinc/31/64/02/168316402.db2.gz IRBDWXOZFOZQMZ-UHFFFAOYSA-N 0 0 238.335 2.510 50 0 BFAARN CCC(CC)(CC)NC(=O)c1cc(C)nc(C)n1 ZINC000330840106 168317562 /nfs/dbraw/zinc/31/75/62/168317562.db2.gz MZRKICVOHCUSSY-UHFFFAOYSA-N 0 0 249.358 2.792 50 0 BFAARN CCN(Cc1nnsc1Cl)C1CCCC1 ZINC000036303013 343978407 /nfs/dbraw/zinc/97/84/07/343978407.db2.gz KUPLHNNIEWAPPX-UHFFFAOYSA-N 0 0 245.779 2.956 50 0 BFAARN Cc1noc(CSc2nc3ccccc3o2)n1 ZINC000044895713 398147499 /nfs/dbraw/zinc/14/74/99/398147499.db2.gz XWOBORQZDPUOME-UHFFFAOYSA-N 0 0 247.279 2.812 50 0 BFAARN CCc1ccc(CC(=O)NCc2ccco2)cc1 ZINC000071375728 398148132 /nfs/dbraw/zinc/14/81/32/398148132.db2.gz OUAJGGOZQUCHNG-UHFFFAOYSA-N 0 0 243.306 2.701 50 0 BFAARN Cc1cc(CN2C[C@@H](C)O[C@@H](C)C2)cc(C)c1O ZINC000020413073 178007400 /nfs/dbraw/zinc/00/74/00/178007400.db2.gz ATKGIAOFPRSGHG-BETUJISGSA-N 0 0 249.354 2.618 50 0 BFAARN Cc1cc(CNC(=O)C(C)(C)C)ccc1F ZINC000032904050 178008893 /nfs/dbraw/zinc/00/88/93/178008893.db2.gz VRFVTRKYQRNWCS-UHFFFAOYSA-N 0 0 223.291 2.796 50 0 BFAARN Cc1cc(COc2cc(F)ccc2F)on1 ZINC000078443635 178049406 /nfs/dbraw/zinc/04/94/06/178049406.db2.gz MBCCTGKYCPPXMV-UHFFFAOYSA-N 0 0 225.194 2.840 50 0 BFAARN Cc1cc(COc2cnn(C)c2)c(C)s1 ZINC000193525111 178051254 /nfs/dbraw/zinc/05/12/54/178051254.db2.gz IMHVIFFHDHIWCX-UHFFFAOYSA-N 0 0 222.313 2.677 50 0 BFAARN Cc1cc(CSCc2ccc(CO)cc2)on1 ZINC000097048107 178052273 /nfs/dbraw/zinc/05/22/73/178052273.db2.gz PGIINJXSCODMHR-UHFFFAOYSA-N 0 0 249.335 2.909 50 0 BFAARN Cc1cc(Cl)n(C[C@@H](O)c2ccccc2)n1 ZINC000034538936 178071873 /nfs/dbraw/zinc/07/18/73/178071873.db2.gz HIURBVRAAWHKNG-LLVKDONJSA-N 0 0 236.702 2.579 50 0 BFAARN Cc1cc(Cl)nc([C@H]2CCCCN2C)n1 ZINC000072343831 178072501 /nfs/dbraw/zinc/07/25/01/178072501.db2.gz WBTVNMZPILFKRX-SECBINFHSA-N 0 0 225.723 2.595 50 0 BFAARN Cc1cc(F)ccc1NC(=O)[C@H]1C[C@H]1C ZINC000007751098 178089742 /nfs/dbraw/zinc/08/97/42/178089742.db2.gz SWODGBCPTQQURE-XCBNKYQSSA-N 0 0 207.248 2.729 50 0 BFAARN Cc1ccccc1OCCc1nc(CO)cs1 ZINC000057900922 398194915 /nfs/dbraw/zinc/19/49/15/398194915.db2.gz USKQZQQZAVRVQC-UHFFFAOYSA-N 0 0 249.335 2.565 50 0 BFAARN Cc1cc(N)n(-c2cc(C)c3ccccc3n2)n1 ZINC000000126079 178108474 /nfs/dbraw/zinc/10/84/74/178108474.db2.gz MRXLQLYHWDBUCH-UHFFFAOYSA-N 0 0 238.294 2.620 50 0 BFAARN Cc1cc(N)nc(SCc2ccccc2)n1 ZINC000000465042 178109141 /nfs/dbraw/zinc/10/91/41/178109141.db2.gz UNIQGWYGYQXIEY-UHFFFAOYSA-N 0 0 231.324 2.660 50 0 BFAARN Cc1cc(N2CCCC2)c(F)cc1C=O ZINC000000615292 178113398 /nfs/dbraw/zinc/11/33/98/178113398.db2.gz JXZONLCMWVRBJT-UHFFFAOYSA-N 0 0 207.248 2.547 50 0 BFAARN CCC(CC)C(=O)Nc1nnc(SC)s1 ZINC000004086559 168342188 /nfs/dbraw/zinc/34/21/88/168342188.db2.gz SFGCPNLWYUYWGY-UHFFFAOYSA-N 0 0 245.373 2.635 50 0 BFAARN CCC(CC)C(=O)n1c2cc(C)ccc2oc1=O ZINC000009528513 168342203 /nfs/dbraw/zinc/34/22/03/168342203.db2.gz QYYWTSCCEPFADG-UHFFFAOYSA-N 0 0 247.294 2.979 50 0 BFAARN Cc1cc(NC(=O)C(C)(C)c2ccccc2)no1 ZINC000074642672 178123571 /nfs/dbraw/zinc/12/35/71/178123571.db2.gz SZXXLIFHWVVYCY-UHFFFAOYSA-N 0 0 244.294 2.899 50 0 BFAARN Cc1cc(NC(=O)CSc2ccccc2)no1 ZINC000000081358 178132688 /nfs/dbraw/zinc/13/26/88/178132688.db2.gz VLUWXAXUFWOUPM-UHFFFAOYSA-N 0 0 248.307 2.714 50 0 BFAARN Cc1cc(NC(=O)Cc2ccccc2)ccc1O ZINC000000092272 178133998 /nfs/dbraw/zinc/13/39/98/178133998.db2.gz JKHXFOKRSKSXIV-UHFFFAOYSA-N 0 0 241.290 2.882 50 0 BFAARN Cc1cc(NC(=O)Nc2ccccn2)ccc1O ZINC000097104530 178142744 /nfs/dbraw/zinc/14/27/44/178142744.db2.gz PHDQXGXGFOAVMJ-UHFFFAOYSA-N 0 0 243.266 2.740 50 0 BFAARN Cc1cc(NC(=O)c2cc3ccccc3o2)no1 ZINC000000609036 178149704 /nfs/dbraw/zinc/14/97/04/178149704.db2.gz AYOBUAXMJXIODE-UHFFFAOYSA-N 0 0 242.234 2.982 50 0 BFAARN Cc1cc(NC(=O)c2sccc2C)no1 ZINC000001002472 178152493 /nfs/dbraw/zinc/15/24/93/178152493.db2.gz KQMHEALTQJCGFD-UHFFFAOYSA-N 0 0 222.269 2.605 50 0 BFAARN c1nn(CC2CC2)cc1-c1cccc2c1OCC2 ZINC000426720034 398219389 /nfs/dbraw/zinc/21/93/89/398219389.db2.gz WJCDZUPTHQZPRV-UHFFFAOYSA-N 0 0 240.306 2.895 50 0 BFAARN Cc1nccc(NC(=O)N[C@@H]2C[C@H]2C)c1Cl ZINC000097096187 398225342 /nfs/dbraw/zinc/22/53/42/398225342.db2.gz JLSZEEULSNZDHA-HZGVNTEJSA-N 0 0 239.706 2.573 50 0 BFAARN Cc1cnc([C@@H](C)Nc2cc(C)ncn2)s1 ZINC000125196144 178187960 /nfs/dbraw/zinc/18/79/60/178187960.db2.gz ZPRSXULJGXKENG-SECBINFHSA-N 0 0 234.328 2.723 50 0 BFAARN Cc1cc(Nc2cccc(C)c2C)nc(N)n1 ZINC000072437183 178191482 /nfs/dbraw/zinc/19/14/82/178191482.db2.gz ILWLAQUVJZHDBQ-UHFFFAOYSA-N 0 0 228.299 2.728 50 0 BFAARN Cc1cc(O)c(-c2cc[nH]n2)cc1Cl ZINC000100130978 178192699 /nfs/dbraw/zinc/19/26/99/178192699.db2.gz ZACPHJJGWLADHD-UHFFFAOYSA-N 0 0 208.648 2.744 50 0 BFAARN Cc1cc(Nc2ccccc2F)nc(C)n1 ZINC000012016510 178193781 /nfs/dbraw/zinc/19/37/81/178193781.db2.gz BCNALZNCCYNAEU-UHFFFAOYSA-N 0 0 217.247 2.976 50 0 BFAARN O=C1CCn2c(CNc3ccc(F)cc3)ccc21 ZINC000039931065 361747340 /nfs/dbraw/zinc/74/73/40/361747340.db2.gz AEOHLQWVYSPVJC-UHFFFAOYSA-N 0 0 244.269 2.826 50 0 BFAARN Cc1cc(OCCn2ccnc2)ccc1Cl ZINC000004385931 178210822 /nfs/dbraw/zinc/21/08/22/178210822.db2.gz IEFARKCYRUQEDE-UHFFFAOYSA-N 0 0 236.702 2.924 50 0 BFAARN Cc1cc(OCc2ccnc(Cl)c2)nnc1C ZINC000095389718 178213061 /nfs/dbraw/zinc/21/30/61/178213061.db2.gz DWOGBTOVSYVBDW-UHFFFAOYSA-N 0 0 249.701 2.721 50 0 BFAARN Cc1cc(Sc2ncccn2)ccc1N ZINC000035278611 178219797 /nfs/dbraw/zinc/21/97/97/178219797.db2.gz GMQQDMCLEHUURT-UHFFFAOYSA-N 0 0 217.297 2.518 50 0 BFAARN Cc1cc(S[C@H](C)C(C)C)n2ncnc2n1 ZINC000078588822 178219906 /nfs/dbraw/zinc/21/99/06/178219906.db2.gz AFGQFBSTHPXYRP-SECBINFHSA-N 0 0 236.344 2.569 50 0 BFAARN Cc1ncccc1CNc1cccc(O)c1 ZINC000170604396 361792637 /nfs/dbraw/zinc/79/26/37/361792637.db2.gz NCAFPGRJVPGNAK-UHFFFAOYSA-N 0 0 214.268 2.708 50 0 BFAARN Cc1cc2n[nH]cc2cc1NC(=O)c1ccco1 ZINC000001395180 178276471 /nfs/dbraw/zinc/27/64/71/178276471.db2.gz HAZVTDKCCKAZFD-UHFFFAOYSA-N 0 0 241.250 2.717 50 0 BFAARN COc1ccccc1NC(=O)N1CCC(C)CC1 ZINC000016552641 259307682 /nfs/dbraw/zinc/30/76/82/259307682.db2.gz ZGFCAGSWSARNRY-UHFFFAOYSA-N 0 0 248.326 2.959 50 0 BFAARN Cc1cc2nc(N)sc2cc1Br ZINC000022125092 178302898 /nfs/dbraw/zinc/30/28/98/178302898.db2.gz CEDRKTDWUSPZEX-UHFFFAOYSA-N 0 0 243.129 2.949 50 0 BFAARN Cc1ccc(-c2ccc(N)nc2)cc1F ZINC000085471781 178325593 /nfs/dbraw/zinc/32/55/93/178325593.db2.gz AVEONNNFSCPOOO-UHFFFAOYSA-N 0 0 202.232 2.778 50 0 BFAARN Cc1ccc(-c2n[nH]cc2C=O)c(C)c1 ZINC000008737741 178316313 /nfs/dbraw/zinc/31/63/13/178316313.db2.gz SRRBPFXGBKWPAA-UHFFFAOYSA-N 0 0 200.241 2.506 50 0 BFAARN Cc1ccc(-c2cc3n(n2)CCCN3)cc1 ZINC000107393530 178321238 /nfs/dbraw/zinc/32/12/38/178321238.db2.gz QFJNKGSVIUYYQT-UHFFFAOYSA-N 0 0 213.284 2.674 50 0 BFAARN Cc1ccc(-c2nc([C@@H]3CCOC3)no2)c(F)c1 ZINC000096180837 178335601 /nfs/dbraw/zinc/33/56/01/178335601.db2.gz IZUKXBLZXZGZTH-SECBINFHSA-N 0 0 248.257 2.688 50 0 BFAARN CCC(CC)N(C)C(=O)Nc1cccnc1 ZINC000032779615 168368043 /nfs/dbraw/zinc/36/80/43/168368043.db2.gz OKNRWWATHRQPLB-UHFFFAOYSA-N 0 0 221.304 2.734 50 0 BFAARN Cc1ccc(C2N=NC(=S)N2C)c(Cl)c1 ZINC000005730451 178340626 /nfs/dbraw/zinc/34/06/26/178340626.db2.gz KOLUGUSYZUHLIA-UHFFFAOYSA-N 0 0 239.731 2.733 50 0 BFAARN Cc1ccc(-n2nc3ccc(N)cc3n2)cc1C ZINC000000361580 178348128 /nfs/dbraw/zinc/34/81/28/178348128.db2.gz PTWAAUTXORKJSU-UHFFFAOYSA-N 0 0 238.294 2.620 50 0 BFAARN Cc1ccc(-n2nc(Cl)ccc2=O)cc1C ZINC000032919092 178348788 /nfs/dbraw/zinc/34/87/88/178348788.db2.gz XSSZNZUMPWEVNY-UHFFFAOYSA-N 0 0 234.686 2.503 50 0 BFAARN Cc1ccc(-c2cncc(F)c2)cc1N ZINC000049576604 178328842 /nfs/dbraw/zinc/32/88/42/178328842.db2.gz MBOUVANDJGBIOT-UHFFFAOYSA-N 0 0 202.232 2.778 50 0 BFAARN Cc1ccc(-c2nc(-c3ccncc3)no2)cn1 ZINC000074455314 178331184 /nfs/dbraw/zinc/33/11/84/178331184.db2.gz GXBMNZQVZCKIHH-UHFFFAOYSA-N 0 0 238.250 2.502 50 0 BFAARN C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccco1 ZINC000025260704 538948174 /nfs/dbraw/zinc/94/81/74/538948174.db2.gz CJUPUXDQSVWOJO-MNOVXSKESA-N 0 0 219.284 2.813 50 0 BFAARN Cc1ccc(Br)nc1OC(F)F ZINC000263624777 178362245 /nfs/dbraw/zinc/36/22/45/178362245.db2.gz UBPWAHAMJWCMEV-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN Cc1ccc(-n2nnnc2SC(C)C)c(C)c1 ZINC000041769684 178351156 /nfs/dbraw/zinc/35/11/56/178351156.db2.gz WQICRVVXXAPEOK-UHFFFAOYSA-N 0 0 248.355 2.780 50 0 BFAARN Cc1ccc(/C=C/C(=O)NCC(C)C)cc1 ZINC000000571888 178353901 /nfs/dbraw/zinc/35/39/01/178353901.db2.gz SPVUDYADAZGWLE-CMDGGOBGSA-N 0 0 217.312 2.780 50 0 BFAARN C[C@@H]1CCCN(C(=O)CSC(C)(C)C)C1 ZINC000033023518 538950992 /nfs/dbraw/zinc/95/09/92/538950992.db2.gz LEKCSTRMFAVIQG-SNVBAGLBSA-N 0 0 229.389 2.777 50 0 BFAARN Cc1ccc(CN(C)C(=O)c2ccc(C)nc2)o1 ZINC000032903692 178378468 /nfs/dbraw/zinc/37/84/68/178378468.db2.gz SFGRKIDHXYHEKI-UHFFFAOYSA-N 0 0 244.294 2.564 50 0 BFAARN Cc1ccc(C(=O)N(C)Cc2ccco2)c(O)c1 ZINC000012926234 178378524 /nfs/dbraw/zinc/37/85/24/178378524.db2.gz KLTWCZRAOMKEOJ-UHFFFAOYSA-N 0 0 245.278 2.566 50 0 BFAARN Cc1ccc(C(=O)N(C)[C@@H](C)C2CC2)cc1 ZINC000012973466 178379902 /nfs/dbraw/zinc/37/99/02/178379902.db2.gz IPDRSDILWGRCHI-NSHDSACASA-N 0 0 217.312 2.866 50 0 BFAARN Cc1ccc(C(=O)N2CCCCCCC2)n1C ZINC000032843862 178385998 /nfs/dbraw/zinc/38/59/98/178385998.db2.gz DRMFKVCZRLQHKL-UHFFFAOYSA-N 0 0 234.343 2.740 50 0 BFAARN CSc1ccc(CN2CCO[C@H](C)C2)cc1 ZINC000040479450 346841965 /nfs/dbraw/zinc/84/19/65/346841965.db2.gz RTJKAOLSEVPOKR-LLVKDONJSA-N 0 0 237.368 2.629 50 0 BFAARN Cc1ccc([C@H]2NC(=O)Cc3ccccc32)cc1 ZINC000000077275 342672966 /nfs/dbraw/zinc/67/29/66/342672966.db2.gz CPWIHCKLMQQZOX-MRXNPFEDSA-N 0 0 237.302 2.757 50 0 BFAARN CC(C)(C)NC(=O)COc1ccccc1Cl ZINC000000486850 342688931 /nfs/dbraw/zinc/68/89/31/342688931.db2.gz XHQFCXGUKOSJEM-UHFFFAOYSA-N 0 0 241.718 2.634 50 0 BFAARN Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3 ZINC000000083600 342673397 /nfs/dbraw/zinc/67/33/97/342673397.db2.gz OLCPVIMTGKFYJC-UHFFFAOYSA-N 0 0 230.263 2.686 50 0 BFAARN Cc1csc2c1ncnc2NC(C)C ZINC000000082159 342673418 /nfs/dbraw/zinc/67/34/18/342673418.db2.gz LETYJJRSWXSKRR-UHFFFAOYSA-N 0 0 207.302 2.820 50 0 BFAARN Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000000092387 342674181 /nfs/dbraw/zinc/67/41/81/342674181.db2.gz NDCSJUJQMRFHEX-UHFFFAOYSA-N 0 0 212.224 2.671 50 0 BFAARN CCOc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000000123289 342675704 /nfs/dbraw/zinc/67/57/04/342675704.db2.gz XJCXJTTYTZQWJY-UHFFFAOYSA-N 0 0 247.338 2.957 50 0 BFAARN CCOc1ccc(C(=O)N[C@@H](C)CC)cc1 ZINC000000124995 342675712 /nfs/dbraw/zinc/67/57/12/342675712.db2.gz LPVBWNAKEBOUAL-JTQLQIEISA-N 0 0 221.300 2.614 50 0 BFAARN O=C(c1ccccc1Cl)N1CCCC1 ZINC000000126075 342675963 /nfs/dbraw/zinc/67/59/63/342675963.db2.gz GJOSCESYZNHDFC-UHFFFAOYSA-N 0 0 209.676 2.576 50 0 BFAARN COC(=O)CSc1cc(C)nc2ccccc21 ZINC000000132741 342676246 /nfs/dbraw/zinc/67/62/46/342676246.db2.gz QNJWFNICGDNCCT-UHFFFAOYSA-N 0 0 247.319 2.808 50 0 BFAARN Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000136158 342676577 /nfs/dbraw/zinc/67/65/77/342676577.db2.gz ZHXBPRJAAQLLMC-UHFFFAOYSA-N 0 0 239.200 2.745 50 0 BFAARN CC(C)(C)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000000142211 342676660 /nfs/dbraw/zinc/67/66/60/342676660.db2.gz BUTNBGSCYPAOMS-ZETCQYMHSA-N 0 0 238.158 2.733 50 0 BFAARN C[C@H](C(=O)Nc1ccccn1)c1ccccc1 ZINC000000142446 342677047 /nfs/dbraw/zinc/67/70/47/342677047.db2.gz LHPOUVZZNFLHER-NSHDSACASA-N 0 0 226.279 2.824 50 0 BFAARN Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000000144326 342677087 /nfs/dbraw/zinc/67/70/87/342677087.db2.gz YWNXHTNWOQHFRL-UHFFFAOYSA-N 0 0 209.252 2.812 50 0 BFAARN Clc1ccc(OC[C@H]2CO2)cc1Cl ZINC000000162770 342678480 /nfs/dbraw/zinc/67/84/80/342678480.db2.gz NRLJEEOYPXGFOM-ZETCQYMHSA-N 0 0 219.067 2.771 50 0 BFAARN Nc1ccc(Br)c(Cl)c1 ZINC000000166762 342678625 /nfs/dbraw/zinc/67/86/25/342678625.db2.gz QLYHPNUFNZJXOQ-UHFFFAOYSA-N 0 0 206.470 2.685 50 0 BFAARN Cc1ccc(NC(=O)c2cnccn2)cc1Cl ZINC000000182935 342679361 /nfs/dbraw/zinc/67/93/61/342679361.db2.gz QHDVQVSQXPDGQS-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN CC[C@@H](c1nnc(N)s1)c1ccccc1 ZINC000000184293 342679477 /nfs/dbraw/zinc/67/94/77/342679477.db2.gz OFIPFQODAWPXGD-SECBINFHSA-N 0 0 219.313 2.662 50 0 BFAARN CCCn1c2ccccc2nc1[C@@H](C)NC(C)=O ZINC000000200768 342679956 /nfs/dbraw/zinc/67/99/56/342679956.db2.gz ZEDJFKILWLXIBZ-SNVBAGLBSA-N 0 0 245.326 2.643 50 0 BFAARN Nc1ccc(-c2nc3cc(N)ccc3o2)cc1 ZINC000000225952 342680712 /nfs/dbraw/zinc/68/07/12/342680712.db2.gz UMGYJGHIMRFYSP-UHFFFAOYSA-N 0 0 225.251 2.659 50 0 in-vitro BFAARN CC(C)(C)NC(=O)c1ccc2ccccc2n1 ZINC000000243304 342681106 /nfs/dbraw/zinc/68/11/06/342681106.db2.gz MPIDUIWSSSTMTL-UHFFFAOYSA-N 0 0 228.295 2.763 50 0 BFAARN CCc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000000243356 342681141 /nfs/dbraw/zinc/68/11/41/342681141.db2.gz IPDICMPQYSSNJD-UHFFFAOYSA-N 0 0 226.279 2.896 50 0 BFAARN Nc1nc(-c2c(F)cccc2F)cs1 ZINC000000269198 342681751 /nfs/dbraw/zinc/68/17/51/342681751.db2.gz ZRFCBSGOMCOUJG-UHFFFAOYSA-N 0 0 212.224 2.671 50 0 BFAARN CCOc1ccccc1CNCc1ccco1 ZINC000000299704 342682510 /nfs/dbraw/zinc/68/25/10/342682510.db2.gz CTXDDINRILVKNW-UHFFFAOYSA-N 0 0 231.295 2.968 50 0 BFAARN CC(C)(C)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000301263 342682884 /nfs/dbraw/zinc/68/28/84/342682884.db2.gz TZBSBJOHRGVDKB-VXGBXAGGSA-N 0 0 217.312 2.705 50 0 BFAARN Cc1occc1-c1nc(-c2ccccn2)no1 ZINC000000319878 342683413 /nfs/dbraw/zinc/68/34/13/342683413.db2.gz KDRWFTBQORSHMJ-UHFFFAOYSA-N 0 0 227.223 2.700 50 0 BFAARN CCO[C@]12CCCC[C@H]1C(=O)N2c1ccccc1 ZINC000000333301 342683553 /nfs/dbraw/zinc/68/35/53/342683553.db2.gz WMQKYGLGFAQUCD-DZGCQCFKSA-N 0 0 245.322 2.956 50 0 BFAARN CN(C)c1ccc(N(C=O)C(C)(C)C)cc1 ZINC000000332329 342683586 /nfs/dbraw/zinc/68/35/86/342683586.db2.gz SYHNWOXSRQDKSQ-UHFFFAOYSA-N 0 0 220.316 2.514 50 0 BFAARN Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000000333224 342683669 /nfs/dbraw/zinc/68/36/69/342683669.db2.gz DOYLAQBXDHFRFB-UHFFFAOYSA-N 0 0 237.262 2.986 50 0 BFAARN O=S1(=O)C=C(c2ccccc2)c2ccccc21 ZINC000000339242 342684105 /nfs/dbraw/zinc/68/41/05/342684105.db2.gz MTBZLCFPAGYFDJ-UHFFFAOYSA-N 0 0 242.299 2.863 50 0 BFAARN CCSc1nc2ccc(N)cc2s1 ZINC000000343703 342684193 /nfs/dbraw/zinc/68/41/93/342684193.db2.gz TUMCWFMHZOUPDA-UHFFFAOYSA-N 0 0 210.327 2.991 50 0 BFAARN O=[N+]([O-])N(Cc1ccccc1)c1ccccc1 ZINC000000348032 342684479 /nfs/dbraw/zinc/68/44/79/342684479.db2.gz PGKLZTCDODUESO-UHFFFAOYSA-N 0 0 228.251 2.885 50 0 BFAARN CC[C@@H](C)Cn1c2ccccc2nc1CO ZINC000000352649 342684555 /nfs/dbraw/zinc/68/45/55/342684555.db2.gz MXFLVMFCQOGHHM-SNVBAGLBSA-N 0 0 218.300 2.575 50 0 BFAARN Cc1ccc(N)c([C@@H](O)c2ccccc2)c1 ZINC000000362970 342684863 /nfs/dbraw/zinc/68/48/63/342684863.db2.gz RFGHBTFPMINONZ-AWEZNQCLSA-N 0 0 213.280 2.659 50 0 BFAARN CCC(CC)NC(=O)Cc1ccc(C)cc1 ZINC000006309486 168379015 /nfs/dbraw/zinc/37/90/15/168379015.db2.gz WDHLCFQSRYWBSQ-UHFFFAOYSA-N 0 0 219.328 2.842 50 0 BFAARN Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000000377093 342685385 /nfs/dbraw/zinc/68/53/85/342685385.db2.gz QRDOSBPOPGXXHQ-UHFFFAOYSA-N 0 0 236.274 2.601 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000000372720 342685443 /nfs/dbraw/zinc/68/54/43/342685443.db2.gz TVNATGGVYMPRFS-SSDOTTSWSA-N 0 0 213.227 2.949 50 0 BFAARN Cc1c(C)c(=O)oc2c3c(ccc12)O[C@H](C)C3 ZINC000000386230 342685605 /nfs/dbraw/zinc/68/56/05/342685605.db2.gz GWNDPSWCXFXQDZ-SSDOTTSWSA-N 0 0 230.263 2.733 50 0 BFAARN Clc1ccc(I)cc1 ZINC000000388036 342685788 /nfs/dbraw/zinc/68/57/88/342685788.db2.gz GWQSENYKCGJTRI-UHFFFAOYSA-N 0 0 238.455 2.945 50 0 BFAARN O=C(c1ccc2ccccc2c1)n1ccnc1 ZINC000000391806 342685898 /nfs/dbraw/zinc/68/58/98/342685898.db2.gz FEYNPDBWOXBMOB-UHFFFAOYSA-N 0 0 222.247 2.725 50 0 BFAARN CCN(CC)C(=O)Nc1cc(C)ccc1OC ZINC000000396387 342686343 /nfs/dbraw/zinc/68/63/43/342686343.db2.gz HGRJUJGFIJUBPE-UHFFFAOYSA-N 0 0 236.315 2.877 50 0 BFAARN Cc1ccc(CNC(=O)NC(C)(C)C)c(C)c1 ZINC000000401723 342686537 /nfs/dbraw/zinc/68/65/37/342686537.db2.gz XFXDSHYADHKICK-UHFFFAOYSA-N 0 0 234.343 2.901 50 0 BFAARN CC(=O)Nc1c(O)ccc2ccccc21 ZINC000000402561 342686698 /nfs/dbraw/zinc/68/66/98/342686698.db2.gz ABBNXJIPPYAOSC-UHFFFAOYSA-N 0 0 201.225 2.504 50 0 BFAARN Nc1nc2cc3c(cc2s1)CCCC3 ZINC000000402530 342686768 /nfs/dbraw/zinc/68/67/68/342686768.db2.gz HJESYBABQHCPFU-UHFFFAOYSA-N 0 0 204.298 2.757 50 0 BFAARN CCOc1ccc(Br)cc1 ZINC000000407014 342687049 /nfs/dbraw/zinc/68/70/49/342687049.db2.gz WVUYYXUATWMVIT-UHFFFAOYSA-N 0 0 201.063 2.848 50 0 BFAARN Cc1ccoc1C(=O)NCc1ccccc1 ZINC000000448548 342687635 /nfs/dbraw/zinc/68/76/35/342687635.db2.gz RTHZTQTZYJGDDM-UHFFFAOYSA-N 0 0 215.252 2.518 50 0 BFAARN Cc1sc(=N)n(C)c1-c1ccc(Cl)cc1 ZINC000000479831 342688666 /nfs/dbraw/zinc/68/86/66/342688666.db2.gz KIHHEVYXNJPJGC-UHFFFAOYSA-O 0 0 239.751 2.784 50 0 BFAARN Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1C ZINC000000056661 342671960 /nfs/dbraw/zinc/67/19/60/342671960.db2.gz JPUCLUDOOSRGFH-UHFFFAOYSA-N 0 0 209.289 2.895 50 0 BFAARN Clc1ccc(Nc2ccccc2)nn1 ZINC000000553773 342690065 /nfs/dbraw/zinc/69/00/65/342690065.db2.gz ULZCESXDSWFKGL-UHFFFAOYSA-N 0 0 205.648 2.874 50 0 BFAARN CCN(CC)C(=O)COc1ccc(Cl)cc1 ZINC000000585083 342690714 /nfs/dbraw/zinc/69/07/14/342690714.db2.gz CKMXXQZVHLKTAP-UHFFFAOYSA-N 0 0 241.718 2.587 50 0 BFAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCO1 ZINC000000804572 342693081 /nfs/dbraw/zinc/69/30/81/342693081.db2.gz BKWNJEPRFSSIFE-NSHDSACASA-N 0 0 239.702 2.766 50 0 BFAARN O=C1CC(c2ccncc2)=Nc2ccccc2N1 ZINC000000971925 342695261 /nfs/dbraw/zinc/69/52/61/342695261.db2.gz GZAXJTRTJGMZJE-UHFFFAOYSA-N 0 0 237.262 2.545 50 0 BFAARN Clc1ccc(CN2CCCCC2)cn1 ZINC000001385153 342699414 /nfs/dbraw/zinc/69/94/14/342699414.db2.gz UHTYDCOZEXBALQ-UHFFFAOYSA-N 0 0 210.708 2.721 50 0 BFAARN Clc1snnc1CSc1ccccn1 ZINC000001391539 342699627 /nfs/dbraw/zinc/69/96/27/342699627.db2.gz QPIVOXRXGWFUEK-UHFFFAOYSA-N 0 0 243.744 2.879 50 0 BFAARN CCOC(=O)c1csc(Cc2ccccc2)n1 ZINC000001406908 342700034 /nfs/dbraw/zinc/70/00/34/342700034.db2.gz SJRIITISXFXAMS-UHFFFAOYSA-N 0 0 247.319 2.911 50 0 BFAARN C[C@@H](CC(=O)N1CCCC1)c1ccccc1 ZINC000001457003 342701492 /nfs/dbraw/zinc/70/14/92/342701492.db2.gz WKIILLABOBDSEP-LBPRGKRZSA-N 0 0 217.312 2.803 50 0 BFAARN O=C(c1ccncc1)c1cccc(Cl)c1 ZINC000001567902 342703389 /nfs/dbraw/zinc/70/33/89/342703389.db2.gz JPQDGWGFDQVTFH-UHFFFAOYSA-N 0 0 217.655 2.966 50 0 BFAARN CCCCC[C@@H](O)[C@H](CO)CCCC ZINC000001655725 342707318 /nfs/dbraw/zinc/70/73/18/342707318.db2.gz KBGFEZLHKQYIPE-NWDGAFQWSA-N 0 0 202.338 2.726 50 0 BFAARN CC(=O)Nc1cc(Cl)c(Cl)cc1N ZINC000001735380 342711861 /nfs/dbraw/zinc/71/18/61/342711861.db2.gz RFAVPISRRMQCOS-UHFFFAOYSA-N 0 0 219.071 2.534 50 0 BFAARN CCCCC(OCC)(OCC)OCC ZINC000001845580 342712810 /nfs/dbraw/zinc/71/28/10/342712810.db2.gz DIKAUBKIDNXNNW-UHFFFAOYSA-N 0 0 204.310 2.940 50 0 BFAARN COP(=O)(OC)OC=C(Cl)Cl ZINC000001853865 342713152 /nfs/dbraw/zinc/71/31/52/342713152.db2.gz OEBRKCOSUFCWJD-UHFFFAOYSA-N 0 0 220.976 2.680 50 0 endogenous,in-man BFAARN Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)cn1 ZINC000032029740 178424093 /nfs/dbraw/zinc/42/40/93/178424093.db2.gz ZDQMHYYPXBUFPZ-GXFFZTMASA-N 0 0 232.327 2.699 50 0 BFAARN Nc1cc(Br)cc2cc[nH]c21 ZINC000002389401 342719836 /nfs/dbraw/zinc/71/98/36/342719836.db2.gz ZRTCJQGCGWZTAG-UHFFFAOYSA-N 0 0 211.062 2.513 50 0 BFAARN CC(C)c1ccc(Cn2nccc2N)cc1 ZINC000004206404 342744350 /nfs/dbraw/zinc/74/43/50/342744350.db2.gz YXUMURJAITZODM-UHFFFAOYSA-N 0 0 215.300 2.637 50 0 BFAARN O=C1CS[C@@H](c2ccc(F)cc2)N1C1CC1 ZINC000004218586 342744640 /nfs/dbraw/zinc/74/46/40/342744640.db2.gz QIEZFSGRYQGRTO-LBPRGKRZSA-N 0 0 237.299 2.562 50 0 BFAARN COC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000004284663 342746040 /nfs/dbraw/zinc/74/60/40/342746040.db2.gz MZIVXJGBKLZCKF-UHFFFAOYSA-N 0 0 208.301 2.766 50 0 BFAARN CCOc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000004387730 342747501 /nfs/dbraw/zinc/74/75/01/342747501.db2.gz IIDSNCKHUWHEFJ-UHFFFAOYSA-N 0 0 244.290 2.989 50 0 BFAARN CSc1ncc(C=O)c(Nc2ccccc2)n1 ZINC000002527303 342722660 /nfs/dbraw/zinc/72/26/60/342722660.db2.gz DSFJGNWTXFPBDB-UHFFFAOYSA-N 0 0 245.307 2.755 50 0 BFAARN Nc1c(Cl)nc(Cl)cc1C(F)(F)F ZINC000002555817 342723720 /nfs/dbraw/zinc/72/37/20/342723720.db2.gz BVJJNBRZQVLPIC-UHFFFAOYSA-N 0 0 231.004 2.989 50 0 BFAARN CCCc1ccc(OCC(=O)OCC)cc1 ZINC000002549398 342723795 /nfs/dbraw/zinc/72/37/95/342723795.db2.gz DBNPOGCMHQNKGW-UHFFFAOYSA-N 0 0 222.284 2.581 50 0 BFAARN Nc1nc2ccc(C(F)(F)F)cc2s1 ZINC000002562250 342724337 /nfs/dbraw/zinc/72/43/37/342724337.db2.gz WEDYEBJLWMPPOK-UHFFFAOYSA-N 0 0 218.203 2.897 50 0 in-vitro BFAARN O=c1cc[nH]c2c(Cl)cc(Cl)cc12 ZINC000002564333 342724503 /nfs/dbraw/zinc/72/45/03/342724503.db2.gz LXZBIKOKMYPBAN-UHFFFAOYSA-N 0 0 214.051 2.835 50 0 BFAARN Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000002566912 342724580 /nfs/dbraw/zinc/72/45/80/342724580.db2.gz RXLMVOAFOGXAGW-UHFFFAOYSA-N 0 0 226.235 2.627 50 0 BFAARN CCc1c(C)scc1C1N=NC(=S)N1C ZINC000002569140 342724853 /nfs/dbraw/zinc/72/48/53/342724853.db2.gz MKEVRZYWAPDSQO-UHFFFAOYSA-N 0 0 239.369 2.703 50 0 BFAARN Nc1cnn(Cc2c(Cl)cccc2Cl)c1 ZINC000002576730 342725343 /nfs/dbraw/zinc/72/53/43/342725343.db2.gz WOBWJVUNZSZELK-UHFFFAOYSA-N 0 0 242.109 2.820 50 0 BFAARN NNc1cccc(OCc2ccccc2)c1 ZINC000002578976 342725524 /nfs/dbraw/zinc/72/55/24/342725524.db2.gz WMAHWJQWNIQDQR-UHFFFAOYSA-N 0 0 214.268 2.551 50 0 BFAARN Nc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000002584101 342725875 /nfs/dbraw/zinc/72/58/75/342725875.db2.gz CKHGOQGHJICJFZ-UHFFFAOYSA-N 0 0 242.250 2.994 50 0 BFAARN O=c1[nH]c2ccccc2n1CCc1ccccc1 ZINC000002713421 342726817 /nfs/dbraw/zinc/72/68/17/342726817.db2.gz PBAGJXUKLXPDRX-UHFFFAOYSA-N 0 0 238.290 2.572 50 0 BFAARN Cc1cc(C)cc(OCCCCn2cncn2)c1 ZINC000002844265 342727373 /nfs/dbraw/zinc/72/73/73/342727373.db2.gz AZBPIUIVISPLQZ-UHFFFAOYSA-N 0 0 245.326 2.754 50 0 BFAARN CC[C@@H](C)NC(=O)CCCc1ccccc1 ZINC000002882470 342727608 /nfs/dbraw/zinc/72/76/08/342727608.db2.gz BUQASXUPXAUPAL-GFCCVEGCSA-N 0 0 219.328 2.924 50 0 BFAARN CCCCN(CC)C(=O)Cc1ccccc1OC ZINC000002989325 342729170 /nfs/dbraw/zinc/72/91/70/342729170.db2.gz LSZODZABMAFKRH-UHFFFAOYSA-N 0 0 249.354 2.886 50 0 BFAARN CC(C)CN1C(=O)c2cccc(Cl)c2C1=O ZINC000003100091 342730383 /nfs/dbraw/zinc/73/03/83/342730383.db2.gz UYOOIZJLDNVBIM-UHFFFAOYSA-N 0 0 237.686 2.592 50 0 BFAARN Cc1ccc(CNC(=O)c2ccccc2N)cc1 ZINC000003316254 342732396 /nfs/dbraw/zinc/73/23/96/342732396.db2.gz OJBZYEBMQJFSKB-UHFFFAOYSA-N 0 0 240.306 2.507 50 0 BFAARN CCOc1ccc(NC2=N[C@@H](C)CS2)cc1 ZINC000003308361 342732413 /nfs/dbraw/zinc/73/24/13/342732413.db2.gz MXGRIMRRGLUNLL-VIFPVBQESA-N 0 0 236.340 2.989 50 0 BFAARN CCOc1cccc(-c2csc(N)n2)c1 ZINC000003722649 342737199 /nfs/dbraw/zinc/73/71/99/342737199.db2.gz PDBDQXKEOHSFBS-UHFFFAOYSA-N 0 0 220.297 2.791 50 0 BFAARN CC(C)(C)C(=O)C=C([O-])c1ccccc1 ZINC000003832712 342737950 /nfs/dbraw/zinc/73/79/50/342737950.db2.gz HORVLKADAZQYRS-UHFFFAOYSA-N 0 0 204.269 2.875 50 0 BFAARN CC[C@@H]1S[C@H](C)C[C@@H](OC(C)=O)[C@H]1C ZINC000584904242 342737968 /nfs/dbraw/zinc/73/79/68/342737968.db2.gz JWSCWDYIUHOXAJ-OYBPUVFXSA-N 0 0 216.346 2.858 50 0 BFAARN Cc1ccc2nc(-c3ccccc3)c(N)n2c1 ZINC000003888345 342739153 /nfs/dbraw/zinc/73/91/53/342739153.db2.gz KZSXZCYHPTZFMB-UHFFFAOYSA-N 0 0 223.279 2.892 50 0 BFAARN CCN(CC)C(=O)N1CCc2ccccc21 ZINC000004840447 342752973 /nfs/dbraw/zinc/75/29/73/342752973.db2.gz ZWMBWNRAUWHCID-UHFFFAOYSA-N 0 0 218.300 2.511 50 0 BFAARN Cc1ccc(C2=NC3(CCCCC3)NC2=O)cc1 ZINC000004891361 342753967 /nfs/dbraw/zinc/75/39/67/342753967.db2.gz LJAJWZUYWYHXGF-UHFFFAOYSA-N 0 0 242.322 2.574 50 0 BFAARN CCc1ccccc1NC(=O)CN1CCCCC1 ZINC000004904693 342754125 /nfs/dbraw/zinc/75/41/25/342754125.db2.gz LDLVXSYDEBQJCD-UHFFFAOYSA-N 0 0 246.354 2.673 50 0 BFAARN Clc1cccc(CNc2nc[nH]n2)c1Cl ZINC000005019307 342756502 /nfs/dbraw/zinc/75/65/02/342756502.db2.gz ZTFDGRDSNSLFHG-UHFFFAOYSA-N 0 0 243.097 2.724 50 0 BFAARN CCC(CC)NC(=O)c1ccc[nH]c1=S ZINC000006508647 168386176 /nfs/dbraw/zinc/38/61/76/168386176.db2.gz HHZUENZGPCNEQY-UHFFFAOYSA-N 0 0 224.329 2.663 50 0 BFAARN Nc1cc(OCc2ccccc2)ccc1F ZINC000005175552 342759672 /nfs/dbraw/zinc/75/96/72/342759672.db2.gz QWJMNTICFWQYMN-UHFFFAOYSA-N 0 0 217.243 2.987 50 0 BFAARN CC(C)C(=O)Nc1cccc2cccnc21 ZINC000005293753 342761735 /nfs/dbraw/zinc/76/17/35/342761735.db2.gz HRMKVLWLIRLLKK-UHFFFAOYSA-N 0 0 214.268 2.829 50 0 BFAARN O=C1CCCN1C12CC3CC(CC(C3)C1)C2 ZINC000005480292 342764576 /nfs/dbraw/zinc/76/45/76/342764576.db2.gz MLSPGERYUBJGGP-UHFFFAOYSA-N 0 0 219.328 2.578 50 0 BFAARN CSc1ccc(-c2nnc(N)s2)cc1 ZINC000005662259 342767694 /nfs/dbraw/zinc/76/76/94/342767694.db2.gz BATIZPDGOUSHDS-UHFFFAOYSA-N 0 0 223.326 2.509 50 0 BFAARN O=C(c1ccc2ccccc2n1)N1CCCCC1 ZINC000005669535 342768127 /nfs/dbraw/zinc/76/81/27/342768127.db2.gz TVKVCTUJWVSFMF-UHFFFAOYSA-N 0 0 240.306 2.861 50 0 BFAARN Clc1ccc2[nH]c(N3CCCC3)nc2c1 ZINC000005687384 342768459 /nfs/dbraw/zinc/76/84/59/342768459.db2.gz AIEWPQVOVZVKEW-UHFFFAOYSA-N 0 0 221.691 2.817 50 0 BFAARN CC[C@@H](C)NC(=O)Cc1ccc(Cl)cc1 ZINC000005718998 342768792 /nfs/dbraw/zinc/76/87/92/342768792.db2.gz SBKDDJUXPLEPDK-SECBINFHSA-N 0 0 225.719 2.797 50 0 BFAARN CCCCS(=O)(=O)Nc1cccc(Cl)c1 ZINC000005792962 342770079 /nfs/dbraw/zinc/77/00/79/342770079.db2.gz VBSUCKPYJMWUJD-UHFFFAOYSA-N 0 0 247.747 2.882 50 0 BFAARN COc1c2ccoc2[nH]c2c(OC)c(=O)ccc1-2 ZINC000005998737 342772426 /nfs/dbraw/zinc/77/24/26/342772426.db2.gz LJKPBWHZRNQEMO-UHFFFAOYSA-N 0 0 245.234 2.704 50 0 biogenic,in-vitro BFAARN CCN(CC)C(=O)Nc1cc(F)cc(F)c1 ZINC000004740685 342751474 /nfs/dbraw/zinc/75/14/74/342751474.db2.gz HMVYNJHAQZJQOV-UHFFFAOYSA-N 0 0 228.242 2.839 50 0 BFAARN Cc1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000008581876 342800782 /nfs/dbraw/zinc/80/07/82/342800782.db2.gz WPSHYKVAGQUPJD-UHFFFAOYSA-N 0 0 238.084 2.599 50 0 BFAARN CCN(CC)C(=S)Nc1ccc(OC)cc1 ZINC000008683558 342801866 /nfs/dbraw/zinc/80/18/66/342801866.db2.gz WHEJWYIBDMGWMT-UHFFFAOYSA-N 0 0 238.356 2.734 50 0 BFAARN Cc1nc(Cl)ccc1Br ZINC000008698224 342802302 /nfs/dbraw/zinc/80/23/02/342802302.db2.gz DTFBHJWQTDQBEM-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN Clc1ccc(CNc2nccs2)cn1 ZINC000006528127 342778837 /nfs/dbraw/zinc/77/88/37/342778837.db2.gz MBJWUWGIXAKIHD-UHFFFAOYSA-N 0 0 225.704 2.804 50 0 BFAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)C1CC1 ZINC000253471867 398287054 /nfs/dbraw/zinc/28/70/54/398287054.db2.gz GGQZSIIIBDZHCJ-JTQLQIEISA-N 0 0 243.306 2.890 50 0 BFAARN Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000006667000 342780569 /nfs/dbraw/zinc/78/05/69/342780569.db2.gz QSGRLGXFSNTKDV-UHFFFAOYSA-N 0 0 208.261 2.737 50 0 BFAARN Cc1ccc(NC(=O)Nc2cnccn2)cc1C ZINC000006730931 342781616 /nfs/dbraw/zinc/78/16/16/342781616.db2.gz VSMKZISBNNCEER-UHFFFAOYSA-N 0 0 242.282 2.737 50 0 BFAARN Cc1ccc2c(c1)NC(=O)c1cccnc1O2 ZINC000006751330 342782139 /nfs/dbraw/zinc/78/21/39/342782139.db2.gz GFQMJGYCFJXMDO-UHFFFAOYSA-N 0 0 226.235 2.748 50 0 BFAARN CCCc1nc(C)c(C(=O)NC(C)(C)C)s1 ZINC000042795183 342782213 /nfs/dbraw/zinc/78/22/13/342782213.db2.gz YMEJHIQUVFESKU-UHFFFAOYSA-N 0 0 240.372 2.932 50 0 BFAARN CCCc1[nH]nc(N)c1-c1ccc(F)cc1 ZINC000008701439 342802758 /nfs/dbraw/zinc/80/27/58/342802758.db2.gz CAJDVZQXJVBMRK-UHFFFAOYSA-N 0 0 219.263 2.751 50 0 BFAARN Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000008703416 342802800 /nfs/dbraw/zinc/80/28/00/342802800.db2.gz LUBKHQVZKMSXIE-UHFFFAOYSA-N 0 0 218.300 2.788 50 0 BFAARN Cc1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)on1 ZINC000040473413 538971441 /nfs/dbraw/zinc/97/14/41/538971441.db2.gz RNGUBFLCWHVTMN-NEPJUHHUSA-N 0 0 248.326 2.635 50 0 BFAARN Cc1c(N)cccc1NC(=O)CC(C)C ZINC000008703434 342802859 /nfs/dbraw/zinc/80/28/59/342802859.db2.gz WTJRQPZPPXOYBY-UHFFFAOYSA-N 0 0 206.289 2.562 50 0 BFAARN Cc1c(C(=O)N(C)C)sc2ccsc12 ZINC000040513993 538971622 /nfs/dbraw/zinc/97/16/22/538971622.db2.gz BDEHVRWUFDUDLZ-UHFFFAOYSA-N 0 0 225.338 2.973 50 0 BFAARN Cc1ccc(C(=O)NCc2ccc(C)cc2)o1 ZINC000002737591 342792406 /nfs/dbraw/zinc/79/24/06/342792406.db2.gz JUMLIEGYKDRHKM-UHFFFAOYSA-N 0 0 229.279 2.826 50 0 BFAARN CC(C)[C@H](Nc1cnn(C)c1)c1ccc(F)cn1 ZINC000097378981 342793597 /nfs/dbraw/zinc/79/35/97/342793597.db2.gz PLPSIMUXQGNMTF-ZDUSSCGKSA-N 0 0 248.305 2.763 50 0 BFAARN Cc1ccc(C(=O)n2c(C)nc3ccccc32)o1 ZINC000002794933 342794427 /nfs/dbraw/zinc/79/44/27/342794427.db2.gz VYGUIYVCINHJMV-UHFFFAOYSA-N 0 0 240.262 2.935 50 0 BFAARN CCc1cc(-c2n[nH]c(=S)n2C)cs1 ZINC000008199724 342796921 /nfs/dbraw/zinc/79/69/21/342796921.db2.gz JNRWERUYDGXLLT-UHFFFAOYSA-N 0 0 225.342 2.769 50 0 BFAARN Nc1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000009304515 342812276 /nfs/dbraw/zinc/81/22/76/342812276.db2.gz HASRYCYCAUWJKD-UHFFFAOYSA-N 0 0 238.718 2.548 50 0 BFAARN Cc1cc(C)cc([C@@H](O)C(F)(F)F)c1 ZINC000009477690 342817710 /nfs/dbraw/zinc/81/77/10/342817710.db2.gz DQTXEAKXIGCGEJ-SECBINFHSA-N 0 0 204.191 2.899 50 0 BFAARN Cn1c(C(=O)NC2CC2)cc2ccc(Cl)cc21 ZINC000040788899 538973602 /nfs/dbraw/zinc/97/36/02/538973602.db2.gz ICESAECSLAHRDI-UHFFFAOYSA-N 0 0 248.713 2.724 50 0 BFAARN CCCc1nc2cc(C(=O)OC)ccc2o1 ZINC000008729962 342803696 /nfs/dbraw/zinc/80/36/96/342803696.db2.gz GKFXUIGLVKIJGX-UHFFFAOYSA-N 0 0 219.240 2.567 50 0 BFAARN C[C@@H](C(=O)N1CCCC1)c1ccc(F)cc1F ZINC000104153521 539015153 /nfs/dbraw/zinc/01/51/53/539015153.db2.gz IGAXDKKQYKQIDJ-SECBINFHSA-N 0 0 239.265 2.691 50 0 BFAARN CC(C)CSc1ccc2nccnc2n1 ZINC000104332955 539015221 /nfs/dbraw/zinc/01/52/21/539015221.db2.gz RLBZNFFUBIWBRE-UHFFFAOYSA-N 0 0 219.313 2.773 50 0 BFAARN Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000011919429 342844655 /nfs/dbraw/zinc/84/46/55/342844655.db2.gz XCAPJQSICQSUJP-UHFFFAOYSA-N 0 0 234.686 2.896 50 0 BFAARN COc1cc(CO)c(Cl)cc1OC(C)C ZINC000012382742 342850850 /nfs/dbraw/zinc/85/08/50/342850850.db2.gz PROBVDPNYSOBMB-UHFFFAOYSA-N 0 0 230.691 2.628 50 0 BFAARN Cc1c2c(nn1C(C)C)[nH]c(=O)cc2C(F)F ZINC000012397844 342851294 /nfs/dbraw/zinc/85/12/94/342851294.db2.gz REEKLCQJKNYVJG-UHFFFAOYSA-N 0 0 241.241 2.552 50 0 BFAARN O=C1NC(=O)C(=CC=Cc2ccccc2)S1 ZINC000012407217 342851717 /nfs/dbraw/zinc/85/17/17/342851717.db2.gz XABHYXPBBJGVRA-DODKFZKMSA-N 0 0 231.276 2.567 50 0 BFAARN CCN(CCO)C(=O)CCCC1CCCCC1 ZINC000037854210 398302221 /nfs/dbraw/zinc/30/22/21/398302221.db2.gz PXVCLFMFDQLFNG-UHFFFAOYSA-N 0 0 241.375 2.578 50 0 BFAARN O=C1C[C@@H](c2ccc(O)cc2)c2sccc2N1 ZINC000012429138 342852143 /nfs/dbraw/zinc/85/21/43/342852143.db2.gz LOWSSRUEFZLENM-JTQLQIEISA-N 0 0 245.303 2.928 50 0 BFAARN CSc1ccccc1-c1ncccc1C(N)=O ZINC000032586997 342853348 /nfs/dbraw/zinc/85/33/48/342853348.db2.gz FREIGKCLLFNFQZ-UHFFFAOYSA-N 0 0 244.319 2.569 50 0 BFAARN Cc1cc(C)cc(Nc2ncnc3n[nH]cc32)c1 ZINC000012574088 342854822 /nfs/dbraw/zinc/85/48/22/342854822.db2.gz XFUZGHMUGJTNHM-UHFFFAOYSA-N 0 0 239.282 2.713 50 0 BFAARN O=C1CCc2cccc(Br)c21 ZINC000012649034 342856039 /nfs/dbraw/zinc/85/60/39/342856039.db2.gz ZWEODBMKCBWTTQ-UHFFFAOYSA-N 0 0 211.058 2.578 50 0 BFAARN O=C(c1csc2ccccc12)N1CCC1 ZINC000012927472 342861325 /nfs/dbraw/zinc/86/13/25/342861325.db2.gz IZSFZYDTAQIQRY-UHFFFAOYSA-N 0 0 217.293 2.747 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2ccc(N)cc2C1 ZINC000012957716 342862183 /nfs/dbraw/zinc/86/21/83/342862183.db2.gz AGRBXKCSGCUXST-UHFFFAOYSA-N 0 0 248.326 2.562 50 0 BFAARN C[C@@H](C1CC1)N(C)C(=O)c1ccccc1 ZINC000012974520 342862293 /nfs/dbraw/zinc/86/22/93/342862293.db2.gz AMTGZUDJIQHYFF-JTQLQIEISA-N 0 0 203.285 2.557 50 0 BFAARN CC(C)CNC(=O)c1cccc2cccnc21 ZINC000012988398 342862383 /nfs/dbraw/zinc/86/23/83/342862383.db2.gz GOXHBCGSEJAGIE-UHFFFAOYSA-N 0 0 228.295 2.621 50 0 BFAARN Cn1ccc(NC(=O)CCC2CCCCC2)n1 ZINC000013006569 342862844 /nfs/dbraw/zinc/86/28/44/342862844.db2.gz ALNZPRPVPMIYOH-UHFFFAOYSA-N 0 0 235.331 2.719 50 0 BFAARN CCOc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000013329294 342865822 /nfs/dbraw/zinc/86/58/22/342865822.db2.gz UPIVXKPPLYIXHK-MJVIPROJSA-N 0 0 247.338 2.919 50 0 BFAARN Cc1c(N)n[nH]c1-c1cccc(Cl)c1 ZINC000013424153 342866745 /nfs/dbraw/zinc/86/67/45/342866745.db2.gz DPOCBFMWFFEFRT-UHFFFAOYSA-N 0 0 207.664 2.621 50 0 BFAARN O=C1Nc2ccccc2/C1=C\c1ccc(O)cc1 ZINC000012568108 398311358 /nfs/dbraw/zinc/31/13/58/398311358.db2.gz PLAOAGFXNCEZMZ-UKTHLTGXSA-N 0 0 237.258 2.885 50 0 in-vivo BFAARN O=c1c2ccccc2[nH]c2c1CCCCC2 ZINC000013658212 342869501 /nfs/dbraw/zinc/86/95/01/342869501.db2.gz LDMBBNQWWBTULE-UHFFFAOYSA-N 0 0 213.280 2.797 50 0 BFAARN Cc1cc(C(=O)N2CCCCC2)sc1C ZINC000032721841 342869869 /nfs/dbraw/zinc/86/98/69/342869869.db2.gz SKFWWDNJAKAVIN-UHFFFAOYSA-N 0 0 223.341 2.991 50 0 BFAARN CC[C@@H](C)NC(=O)c1cc(C)sc1C ZINC000032747644 342872812 /nfs/dbraw/zinc/87/28/12/342872812.db2.gz DUDHCMRFWMCJAR-SSDOTTSWSA-N 0 0 211.330 2.893 50 0 BFAARN CC[C@@H](C)NC(=O)/C=C/c1ccc(C)o1 ZINC000013892148 342873698 /nfs/dbraw/zinc/87/36/98/342873698.db2.gz VTSVKSZNPVSKLN-FCZSHJHJSA-N 0 0 207.273 2.516 50 0 BFAARN Cc1noc(C)c1C(=O)Nc1ccc(C)cc1F ZINC000014014566 342875923 /nfs/dbraw/zinc/87/59/23/342875923.db2.gz MLARXCCQFJJOSF-UHFFFAOYSA-N 0 0 248.257 2.991 50 0 BFAARN CC(C)CNC(=O)c1cccc2ncccc21 ZINC000014300551 342879067 /nfs/dbraw/zinc/87/90/67/342879067.db2.gz LHCAQUOMKDSUKP-UHFFFAOYSA-N 0 0 228.295 2.621 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000032819536 342879100 /nfs/dbraw/zinc/87/91/00/342879100.db2.gz BGWHGSUFDVQZRR-VOAKCMCISA-N 0 0 221.344 2.824 50 0 BFAARN Cc1nc(SCc2cccc(F)c2)n[nH]1 ZINC000011658924 398316582 /nfs/dbraw/zinc/31/65/82/398316582.db2.gz KOLQNXRSZYLMCC-UHFFFAOYSA-N 0 0 223.276 2.545 50 0 BFAARN Nc1ccc(OC(F)F)cc1Br ZINC000015444632 342896684 /nfs/dbraw/zinc/89/66/84/342896684.db2.gz QAIJRQYZGRRNFA-UHFFFAOYSA-N 0 0 238.031 2.633 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccsc1C(=O)OC ZINC000035177128 342884832 /nfs/dbraw/zinc/88/48/32/342884832.db2.gz RFEUUDAFZMVGBJ-SSDOTTSWSA-N 0 0 241.312 2.519 50 0 BFAARN Cc1ccc2c(Br)n[nH]c2c1 ZINC000014983530 342890193 /nfs/dbraw/zinc/89/01/93/342890193.db2.gz WQBAPWGVIHWNLY-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN NN=c1[nH]c2c(cccc2C(F)(F)F)s1 ZINC000014985067 342890201 /nfs/dbraw/zinc/89/02/01/342890201.db2.gz BGQDPZBYKOKPPU-UHFFFAOYSA-N 0 0 233.218 2.601 50 0 BFAARN Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000016158509 342907274 /nfs/dbraw/zinc/90/72/74/342907274.db2.gz AUASPYTYDDWIAM-UHFFFAOYSA-N 0 0 248.229 2.820 50 0 BFAARN Clc1cnc2[nH]c(-c3ccccn3)nc2c1 ZINC000016545991 342912034 /nfs/dbraw/zinc/91/20/34/342912034.db2.gz UKZWSMKVAQRWMS-UHFFFAOYSA-N 0 0 230.658 2.673 50 0 BFAARN CCc1cc(C(=O)N2CCCC2)cs1 ZINC000016580203 342912786 /nfs/dbraw/zinc/91/27/86/342912786.db2.gz KBPADCZNCFCPIC-UHFFFAOYSA-N 0 0 209.314 2.547 50 0 BFAARN Cc1cccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000032909085 342903648 /nfs/dbraw/zinc/90/36/48/342903648.db2.gz WGUFALSKPWOLCP-QWRGUYRKSA-N 0 0 232.327 2.508 50 0 BFAARN CC(C)Cn1nccc1-c1ccncc1 ZINC000079062035 342914658 /nfs/dbraw/zinc/91/46/58/342914658.db2.gz HREVHMZWTQTKRF-UHFFFAOYSA-N 0 0 201.273 2.601 50 0 BFAARN CCC[C@@H]1C[C@H](c2csc(N)n2)CCO1 ZINC000004005628 398327691 /nfs/dbraw/zinc/32/76/91/398327691.db2.gz SIINGJBLYGBGDL-RKDXNWHRSA-N 0 0 226.345 2.788 50 0 BFAARN Cc1ccnc2c(Br)ccnc12 ZINC000230561882 346882068 /nfs/dbraw/zinc/88/20/68/346882068.db2.gz RCWVZPCMTYJNGG-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN Cc1c2cc(Br)ccc2[nH]c1CO ZINC000019093298 342941635 /nfs/dbraw/zinc/94/16/35/342941635.db2.gz UXXWIWFJZKRNDQ-UHFFFAOYSA-N 0 0 240.100 2.731 50 0 BFAARN Cc1ccc(C)c(C(=O)c2ccccn2)c1 ZINC000043210502 178468976 /nfs/dbraw/zinc/46/89/76/178468976.db2.gz UCRAXCCFLOBKAZ-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN Nc1cccc(COCc2ccco2)c1 ZINC000019272666 342945014 /nfs/dbraw/zinc/94/50/14/342945014.db2.gz MVBPXKRSAKNDTQ-UHFFFAOYSA-N 0 0 203.241 2.579 50 0 BFAARN O=C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000019688258 342954233 /nfs/dbraw/zinc/95/42/33/342954233.db2.gz ZXSQLODBMKKLKU-UHFFFAOYSA-N 0 0 241.693 2.644 50 0 BFAARN O=C1CCC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000031530 344019404 /nfs/dbraw/zinc/01/94/04/344019404.db2.gz JPQAYGXNGGHZAG-UHFFFAOYSA-N 0 0 244.077 2.647 50 0 BFAARN C[C@@H](NCc1cnn(C)c1)c1ccccc1Cl ZINC000020124118 342970182 /nfs/dbraw/zinc/97/01/82/342970182.db2.gz WWBHWZXSDXQJTC-SNVBAGLBSA-N 0 0 249.745 2.924 50 0 BFAARN Nc1cccc(C(=O)Nc2ccc(F)cc2F)c1 ZINC000020193251 342975573 /nfs/dbraw/zinc/97/55/73/342975573.db2.gz NJPZYJVAAMOWEV-UHFFFAOYSA-N 0 0 248.232 2.799 50 0 BFAARN Cc1cc(N)cc(C)c1Br ZINC000020198577 342976036 /nfs/dbraw/zinc/97/60/36/342976036.db2.gz OGBPXDJLNYCSJH-UHFFFAOYSA-N 0 0 200.079 2.648 50 0 BFAARN Cc1ccc(CC(=O)N(C)C2CCCC2)cc1 ZINC000020046231 342967026 /nfs/dbraw/zinc/96/70/26/342967026.db2.gz PXSXSLZGSMBIGG-UHFFFAOYSA-N 0 0 231.339 2.939 50 0 BFAARN Nc1nccc(-c2cccc3ccccc32)n1 ZINC000020534025 342989737 /nfs/dbraw/zinc/98/97/37/342989737.db2.gz GWDXAKCWBPZHCK-UHFFFAOYSA-N 0 0 221.263 2.879 50 0 BFAARN CN(Cc1ccsc1)C(=O)c1ccccc1N ZINC000020284202 342980432 /nfs/dbraw/zinc/98/04/32/342980432.db2.gz KQKYUMQWEUAHHE-UHFFFAOYSA-N 0 0 246.335 2.603 50 0 BFAARN Clc1nccc(NC2CCCCC2)n1 ZINC000020358080 342983645 /nfs/dbraw/zinc/98/36/45/342983645.db2.gz NBTKTCIGZUWABA-UHFFFAOYSA-N 0 0 211.696 2.875 50 0 BFAARN Nc1ccc(-c2cccc(F)c2F)cn1 ZINC000021953274 343029571 /nfs/dbraw/zinc/02/95/71/343029571.db2.gz QTKRDJPBLRYOQA-UHFFFAOYSA-N 0 0 206.195 2.609 50 0 BFAARN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1N ZINC000021961249 343031021 /nfs/dbraw/zinc/03/10/21/343031021.db2.gz XNKOSPCLXTUOGF-LLVKDONJSA-N 0 0 232.327 2.592 50 0 BFAARN Nc1cc(NC(=O)c2ccccc2)ccc1F ZINC000021965810 343031597 /nfs/dbraw/zinc/03/15/97/343031597.db2.gz PXDSPSVHSIFKEQ-UHFFFAOYSA-N 0 0 230.242 2.660 50 0 BFAARN Cc1cc(C(=O)NCc2ccco2)c(C)s1 ZINC000023186805 343061117 /nfs/dbraw/zinc/06/11/17/343061117.db2.gz PEGOOIUYGIJLDK-UHFFFAOYSA-N 0 0 235.308 2.888 50 0 BFAARN Cc1cnc(NC(=O)N2CCCCCC2)s1 ZINC000043386088 343061583 /nfs/dbraw/zinc/06/15/83/343061583.db2.gz JZKDORMLKCUVQJ-UHFFFAOYSA-N 0 0 239.344 2.859 50 0 BFAARN CO[C@@H](CNC(=O)C(C)(C)C)c1ccccc1 ZINC000042751298 362023868 /nfs/dbraw/zinc/02/38/68/362023868.db2.gz YISUVOVYNVFLBY-LBPRGKRZSA-N 0 0 235.327 2.536 50 0 BFAARN Cc1cccc(CS[C@@H](C)C(=O)NC2CC2)c1 ZINC000071818612 362035466 /nfs/dbraw/zinc/03/54/66/362035466.db2.gz HIIQOCPNXXWMAT-NSHDSACASA-N 0 0 249.379 2.895 50 0 BFAARN Nc1ncc(-c2ccncc2)cc1C(F)(F)F ZINC000047212442 343075642 /nfs/dbraw/zinc/07/56/42/343075642.db2.gz GMZLZGUUGPIHAY-UHFFFAOYSA-N 0 0 239.200 2.745 50 0 BFAARN O=Cc1ccc(OCC2CC2)c(OC(F)F)c1 ZINC000140645209 343076880 /nfs/dbraw/zinc/07/68/80/343076880.db2.gz GMUQKCKJXAMWGY-UHFFFAOYSA-N 0 0 242.221 2.889 50 0 BFAARN Nc1c(-c2cccs2)nc2ccccn12 ZINC000026420589 343104902 /nfs/dbraw/zinc/10/49/02/343104902.db2.gz LUZIWUCNVIOBGG-UHFFFAOYSA-N 0 0 215.281 2.645 50 0 BFAARN Cc1ccsc1CNC(=O)c1ccoc1 ZINC000025719204 343095201 /nfs/dbraw/zinc/09/52/01/343095201.db2.gz WGJWAOFGZYJXQD-UHFFFAOYSA-N 0 0 221.281 2.580 50 0 BFAARN CCOc1ncccc1NC(=O)c1ccccc1 ZINC000027587560 343122232 /nfs/dbraw/zinc/12/22/32/343122232.db2.gz MIPWXINTGLYYAR-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN CONC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000029860555 343147964 /nfs/dbraw/zinc/14/79/64/343147964.db2.gz QSRBTFRFJHGHFN-UHFFFAOYSA-N 0 0 246.310 2.757 50 0 BFAARN O=C(CCc1ccc(Cl)cc1)NC1CC1 ZINC000028575519 343130576 /nfs/dbraw/zinc/13/05/76/343130576.db2.gz OCPVGIIKPYHIGX-UHFFFAOYSA-N 0 0 223.703 2.551 50 0 BFAARN CC/C=C/C(=O)N(C)Cc1cccc(OC)c1 ZINC000072276846 343130601 /nfs/dbraw/zinc/13/06/01/343130601.db2.gz DSQGMVFWIPGNNJ-WEVVVXLNSA-N 0 0 233.311 2.620 50 0 BFAARN O=Cc1cc(Cl)ccc1N1CCCC1 ZINC000163019398 343205812 /nfs/dbraw/zinc/20/58/12/343205812.db2.gz FSLSYBXRCHBHID-UHFFFAOYSA-N 0 0 209.676 2.753 50 0 BFAARN Nc1cccc(N2Cc3ccccc3C2)c1 ZINC000030834245 343208722 /nfs/dbraw/zinc/20/87/22/343208722.db2.gz GVTTYJQILUUYSQ-UHFFFAOYSA-N 0 0 210.280 2.789 50 0 BFAARN CC[C@@H](Oc1ccccc1C)C(=O)N1CCCC1 ZINC000030869641 343210989 /nfs/dbraw/zinc/21/09/89/343210989.db2.gz CCXMELOHLGKHFT-CYBMUJFWSA-N 0 0 247.338 2.775 50 0 BFAARN CO[C@@H](C)c1cccc(-c2ccnc(CO)c2)c1 ZINC000032558292 343237912 /nfs/dbraw/zinc/23/79/12/343237912.db2.gz YFWIVDRUSIYTOH-NSHDSACASA-N 0 0 243.306 2.948 50 0 BFAARN Clc1nnc(-c2ccccc2)n1C1CC1 ZINC000032627395 343239105 /nfs/dbraw/zinc/23/91/05/343239105.db2.gz GDXCJGLPQJTZMQ-UHFFFAOYSA-N 0 0 219.675 2.933 50 0 BFAARN Cc1cc(C(=O)NCC(C)C)c(C)s1 ZINC000032747780 343241663 /nfs/dbraw/zinc/24/16/63/343241663.db2.gz JECNHRLZEIZFHG-UHFFFAOYSA-N 0 0 211.330 2.751 50 0 BFAARN C[C@H](NC(=O)C[C@H]1C=CCC1)c1cccnc1 ZINC000048325883 343243327 /nfs/dbraw/zinc/24/33/27/343243327.db2.gz VMZKWCPJZLLYPZ-RYUDHWBXSA-N 0 0 230.311 2.615 50 0 BFAARN COc1cc(F)c(Br)cc1C ZINC000032911326 343244314 /nfs/dbraw/zinc/24/43/14/343244314.db2.gz JJYAQJFSDSHSJY-UHFFFAOYSA-N 0 0 219.053 2.905 50 0 BFAARN O=c1[nH]ccc2cc(C(F)(F)F)ccc21 ZINC000033358962 343252302 /nfs/dbraw/zinc/25/23/02/343252302.db2.gz VOZOQWOUOOVFSB-UHFFFAOYSA-N 0 0 213.158 2.547 50 0 BFAARN CN(c1ccccc1)c1ccnc(Cl)n1 ZINC000051849302 343266060 /nfs/dbraw/zinc/26/60/60/343266060.db2.gz PUMAAXYNFYHIAT-UHFFFAOYSA-N 0 0 219.675 2.898 50 0 BFAARN CCCC(=O)n1nc(C)c2c1CC(C)(C)CC2=O ZINC000000197524 343269558 /nfs/dbraw/zinc/26/95/58/343269558.db2.gz JAEYHNZBXSSHOY-UHFFFAOYSA-N 0 0 248.326 2.787 50 0 BFAARN CCOc1ccc2c(c1)nc(C)n2CC ZINC000000441202 343269898 /nfs/dbraw/zinc/26/98/98/343269898.db2.gz XIHZYTFSQWIZFE-UHFFFAOYSA-N 0 0 204.273 2.763 50 0 BFAARN CC1(C)COC(COc2ccc(Cl)cc2)=N1 ZINC000000756970 343269957 /nfs/dbraw/zinc/26/99/57/343269957.db2.gz ZQJNCXOIMXSODE-UHFFFAOYSA-N 0 0 239.702 2.926 50 0 BFAARN CC[C@@H]1S[C@H](C)C[C@H](OC(C)=O)[C@@H]1C ZINC000001481013 343270720 /nfs/dbraw/zinc/27/07/20/343270720.db2.gz JWSCWDYIUHOXAJ-IFFSRLJSSA-N 0 0 216.346 2.858 50 0 BFAARN Nc1cccc2cc(Br)cnc12 ZINC000034469619 343271727 /nfs/dbraw/zinc/27/17/27/343271727.db2.gz NDROWMOVSVLHDO-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc(F)c(N)c1F ZINC000034570905 343274929 /nfs/dbraw/zinc/27/49/29/343274929.db2.gz YLESTKCQLPTXBC-UHFFFAOYSA-N 0 0 244.241 2.894 50 0 BFAARN O=C(c1cccnc1)c1ccc(F)cc1F ZINC000034976531 343282472 /nfs/dbraw/zinc/28/24/72/343282472.db2.gz NUYXUZIFJAOGBX-UHFFFAOYSA-N 0 0 219.190 2.591 50 0 BFAARN O=C(NC[C@@H]1CCCc2ccccc21)C1CC1 ZINC000036392414 343317929 /nfs/dbraw/zinc/31/79/29/343317929.db2.gz RUSGJNYDTLQUFU-ZDUSSCGKSA-N 0 0 229.323 2.633 50 0 BFAARN Nc1nc(-c2ccc(Cl)s2)ns1 ZINC000036753345 343323524 /nfs/dbraw/zinc/32/35/24/343323524.db2.gz WJSZDGLSJRZSGW-UHFFFAOYSA-N 0 0 217.706 2.502 50 0 BFAARN Clc1ccnc(Cc2ccccc2)n1 ZINC000036882178 343326415 /nfs/dbraw/zinc/32/64/15/343326415.db2.gz RGYMOJIISPSRGZ-UHFFFAOYSA-N 0 0 204.660 2.721 50 0 BFAARN Cc1ccc(F)c(NCc2csnn2)c1 ZINC000036902164 343327324 /nfs/dbraw/zinc/32/73/24/343327324.db2.gz WULOXULDKMYSRF-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN Cc1csc(NC(=O)OC(C)(C)C)n1 ZINC000035287627 343292891 /nfs/dbraw/zinc/29/28/91/343292891.db2.gz JGBZPLSFZVKDDV-UHFFFAOYSA-N 0 0 214.290 2.799 50 0 BFAARN Cc1csc(Oc2ccc(N)cc2F)n1 ZINC000037064938 343332429 /nfs/dbraw/zinc/33/24/29/343332429.db2.gz ZMSGACZGUQFNFT-UHFFFAOYSA-N 0 0 224.260 2.965 50 0 BFAARN CC(C)(C)Nc1nc2c(ncnc2Cl)s1 ZINC000035837664 343304979 /nfs/dbraw/zinc/30/49/79/343304979.db2.gz DSMVVPYNGDOPDP-UHFFFAOYSA-N 0 0 242.735 2.950 50 0 BFAARN CC(C)c1nn(-c2ccccc2)cc1C=O ZINC000036379633 343317294 /nfs/dbraw/zinc/31/72/94/343317294.db2.gz RZHUGYIFPWKFQB-UHFFFAOYSA-N 0 0 214.268 2.808 50 0 BFAARN Cc1ccc(CCNCC(F)(F)F)cc1 ZINC000037974005 343363151 /nfs/dbraw/zinc/36/31/51/343363151.db2.gz HIDGBAQVRDBCCJ-UHFFFAOYSA-N 0 0 217.234 2.689 50 0 BFAARN Cc1nc(Br)ccc1Cl ZINC000038541004 343376694 /nfs/dbraw/zinc/37/66/94/343376694.db2.gz PSZRCSVBLJMQLL-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN CC(C)(O)c1ccc(Br)cc1 ZINC000037379852 343343906 /nfs/dbraw/zinc/34/39/06/343343906.db2.gz AOGYBHJTXLXRSM-UHFFFAOYSA-N 0 0 215.090 2.677 50 0 BFAARN CC(C)(C)OC(=O)c1cc(N)ccc1Cl ZINC000037729952 343353122 /nfs/dbraw/zinc/35/31/22/343353122.db2.gz MBQLNHTZIFBBQK-UHFFFAOYSA-N 0 0 227.691 2.878 50 0 BFAARN CC(C)(C)OC(=O)N[C@H]1CC=C(F)CC1 ZINC000039093857 343381895 /nfs/dbraw/zinc/38/18/95/343381895.db2.gz YFTMXYHCMSSHJJ-VIFPVBQESA-N 0 0 215.268 2.917 50 0 BFAARN Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2)[nH]n1 ZINC000048608726 343392257 /nfs/dbraw/zinc/39/22/57/343392257.db2.gz UYMQHAMUSXYESZ-LLVKDONJSA-N 0 0 243.310 2.551 50 0 BFAARN Cc1noc(C)c1NC(=O)Cc1ccc(C)cc1 ZINC000089632192 178523275 /nfs/dbraw/zinc/52/32/75/178523275.db2.gz GRTREAHCSXALQW-UHFFFAOYSA-N 0 0 244.294 2.781 50 0 BFAARN Cc1csc(NC(=O)CCC(C)C)n1 ZINC000033000722 343422824 /nfs/dbraw/zinc/42/28/24/343422824.db2.gz IUJDALHBIPZIEA-UHFFFAOYSA-N 0 0 212.318 2.826 50 0 BFAARN Cc1cc(C)n(C(=O)Cc2ccc(C)cc2)n1 ZINC000006698199 178523728 /nfs/dbraw/zinc/52/37/28/178523728.db2.gz SQPCXWGGPFOQKL-UHFFFAOYSA-N 0 0 228.295 2.691 50 0 BFAARN Fc1ccc(-c2nc(-c3ccccn3)n[nH]2)cc1 ZINC000040175823 343397679 /nfs/dbraw/zinc/39/76/79/343397679.db2.gz XSDUWNYQRGVFFM-UHFFFAOYSA-N 0 0 240.241 2.673 50 0 BFAARN COCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000040410197 343401894 /nfs/dbraw/zinc/40/18/94/343401894.db2.gz FYAYMLNZGGPEHG-UHFFFAOYSA-N 0 0 244.216 2.739 50 0 BFAARN O=C(CCc1ccccc1F)N1CCCCC1 ZINC000040461171 343404812 /nfs/dbraw/zinc/40/48/12/343404812.db2.gz MVVLLCYDQVROCX-UHFFFAOYSA-N 0 0 235.302 2.771 50 0 BFAARN CCc1cc2c(nc(CC)nc2N(C)C)s1 ZINC000041090082 343414668 /nfs/dbraw/zinc/41/46/68/343414668.db2.gz YSLIWFXESPVKCS-UHFFFAOYSA-N 0 0 235.356 2.882 50 0 BFAARN C[C@@H](O)CCc1ccc(Br)cc1 ZINC000043656762 343479634 /nfs/dbraw/zinc/47/96/34/343479634.db2.gz QUYKPVOFFUPFDD-MRVPVSSYSA-N 0 0 229.117 2.763 50 0 BFAARN CC(C)C(=O)c1ccc(C2OCCO2)s1 ZINC000043210374 343465796 /nfs/dbraw/zinc/46/57/96/343465796.db2.gz XDNVEQXCRHSSMG-UHFFFAOYSA-N 0 0 226.297 2.632 50 0 BFAARN O=C(c1cc(F)c(F)c(F)c1)c1ccccn1 ZINC000043210505 343465888 /nfs/dbraw/zinc/46/58/88/343465888.db2.gz XOGWJLNARSFIQQ-UHFFFAOYSA-N 0 0 237.180 2.730 50 0 BFAARN CC(=O)Oc1ccccc1C(=O)c1ccccc1 ZINC000043209744 343465899 /nfs/dbraw/zinc/46/58/99/343465899.db2.gz ZTTANZQQBIQFEG-UHFFFAOYSA-N 0 0 240.258 2.843 50 0 BFAARN O=C(c1ccccn1)c1cc(F)ccc1F ZINC000043210490 343465948 /nfs/dbraw/zinc/46/59/48/343465948.db2.gz KJNGUJBHUDOZGE-UHFFFAOYSA-N 0 0 219.190 2.591 50 0 BFAARN O=C(c1ncco1)c1ccc(C(F)(F)F)cc1 ZINC000043210562 343465985 /nfs/dbraw/zinc/46/59/85/343465985.db2.gz IHUHMIRJRFVXFH-UHFFFAOYSA-N 0 0 241.168 2.924 50 0 BFAARN O=C1CCc2cc(-c3nccs3)ccc21 ZINC000118909776 343546424 /nfs/dbraw/zinc/54/64/24/343546424.db2.gz XGTQYQKHZSWTPE-UHFFFAOYSA-N 0 0 215.277 2.939 50 0 BFAARN COCc1ccccc1NC(=O)CC(F)(F)F ZINC000046933416 343555831 /nfs/dbraw/zinc/55/58/31/343555831.db2.gz JVOXMHSMWZWEFL-UHFFFAOYSA-N 0 0 247.216 2.724 50 0 BFAARN CC(C)(C)NC(=O)CCc1ccccc1F ZINC000047220395 343559875 /nfs/dbraw/zinc/55/98/75/343559875.db2.gz GEMRVXRHBPPKTP-UHFFFAOYSA-N 0 0 223.291 2.673 50 0 BFAARN Cc1[nH][nH]c(=O)c1Cc1ccccc1Cl ZINC000049474061 343599410 /nfs/dbraw/zinc/59/94/10/343599410.db2.gz NQBOAVPXKDMZMA-UHFFFAOYSA-N 0 0 222.675 2.668 50 0 BFAARN CCc1nc(-c2nc3ccccc3n2C)c(C)[nH]1 ZINC000055088630 343665084 /nfs/dbraw/zinc/66/50/84/343665084.db2.gz GKNNKBYZVVZFTO-UHFFFAOYSA-N 0 0 240.310 2.834 50 0 BFAARN COC(=O)c1cc(N)ccc1-c1ccccc1 ZINC000145282737 343707589 /nfs/dbraw/zinc/70/75/89/343707589.db2.gz ZTTGBNZKWPTJEE-UHFFFAOYSA-N 0 0 227.263 2.722 50 0 BFAARN CCC1(CC)C(=O)NN(c2ccccc2)C1=O ZINC000004475552 168453996 /nfs/dbraw/zinc/45/39/96/168453996.db2.gz MAGFGTMRZHCQFE-UHFFFAOYSA-N 0 0 232.283 2.711 50 0 BFAARN CCCN1CCCC[C@@H]1c1nncn1CC1CC1 ZINC000097941489 343728430 /nfs/dbraw/zinc/72/84/30/343728430.db2.gz PKNWLYQLVQWAMD-CYBMUJFWSA-N 0 0 248.374 2.625 50 0 BFAARN C[C@@H](CC(=O)Nc1ccc(F)cc1)n1ccnc1 ZINC000021917334 343778235 /nfs/dbraw/zinc/77/82/35/343778235.db2.gz SGGWNKWWCBCHJH-JTQLQIEISA-N 0 0 247.273 2.612 50 0 BFAARN COC(=O)Nc1ccccc1Br ZINC000003195197 343770805 /nfs/dbraw/zinc/77/08/05/343770805.db2.gz NQAASRWRCHYEBM-UHFFFAOYSA-N 0 0 230.061 2.627 50 0 BFAARN CC(C)CCn1ccc(N[C@@H]2CCSC2)n1 ZINC000096494913 343753263 /nfs/dbraw/zinc/75/32/63/343753263.db2.gz CADKJTJCPGGBEI-LLVKDONJSA-N 0 0 239.388 2.847 50 0 BFAARN CC1(C)C[C@H](C(=O)NCc2ccccc2)CCO1 ZINC000000521978 346973220 /nfs/dbraw/zinc/97/32/20/346973220.db2.gz LZSJOGHJZABPDJ-CYBMUJFWSA-N 0 0 247.338 2.508 50 0 BFAARN CC(C)C(=O)C1=C(O)CC[C@H](C(C)C)C1 ZINC000112750754 537822036 /nfs/dbraw/zinc/82/20/36/537822036.db2.gz GFCMCMHCUZLQMA-QWRGUYRKSA-N 0 0 210.317 2.853 50 0 BFAARN CC(C)(C)OC(=O)n1ccc2ccc(CO)cc21 ZINC000066324420 343864813 /nfs/dbraw/zinc/86/48/13/343864813.db2.gz DWFFNTQPJJEVQG-UHFFFAOYSA-N 0 0 247.294 2.917 50 0 BFAARN C[C@]1(NC(=O)C2CC(F)(F)C2)CC=CCC1 ZINC000334520390 343890719 /nfs/dbraw/zinc/89/07/19/343890719.db2.gz WZTYTGXXLLCQDT-NSHDSACASA-N 0 0 229.270 2.647 50 0 BFAARN CC[C@@H](O)COc1cccc2nc(C)ccc21 ZINC000157063142 343906549 /nfs/dbraw/zinc/90/65/49/343906549.db2.gz AYLOXAYLGWANIV-LLVKDONJSA-N 0 0 231.295 2.693 50 0 BFAARN O=C(CCc1cccc(F)c1)Nc1ccccn1 ZINC000004710411 343973611 /nfs/dbraw/zinc/97/36/11/343973611.db2.gz QPTDUAIVCQZANL-UHFFFAOYSA-N 0 0 244.269 2.792 50 0 BFAARN CCCCC1(O)CC(C)(C)N(O)C(C)(C)C1 ZINC000004718838 343974619 /nfs/dbraw/zinc/97/46/19/343974619.db2.gz XQTRXLFGGPLUMX-UHFFFAOYSA-N 0 0 229.364 2.950 50 0 BFAARN CCCC(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000040456239 343956366 /nfs/dbraw/zinc/95/63/66/343956366.db2.gz GGHACBQAPBYVOH-NSHDSACASA-N 0 0 205.301 2.972 50 0 BFAARN CN(C)c1nc(-c2cccs2)cs1 ZINC000005719594 347030043 /nfs/dbraw/zinc/03/00/43/347030043.db2.gz JFUFBKAOFPSTAB-UHFFFAOYSA-N 0 0 210.327 2.938 50 0 BFAARN COc1cccc(NC(=O)/C=C\c2ccco2)c1 ZINC000033329095 344226915 /nfs/dbraw/zinc/22/69/15/344226915.db2.gz FEZDGFGQUNISGF-FPLPWBNLSA-N 0 0 243.262 2.940 50 0 BFAARN Cc1occc1[S@@](=O)CCc1ccccc1 ZINC000189610177 347033640 /nfs/dbraw/zinc/03/36/40/347033640.db2.gz PYSFZGSYFSBZEX-INIZCTEOSA-N 0 0 234.320 2.938 50 0 BFAARN CCCCOc1cc(F)c(CO)c(F)c1 ZINC000091251975 344279026 /nfs/dbraw/zinc/27/90/26/344279026.db2.gz JFQDJUWNPGRGJU-UHFFFAOYSA-N 0 0 216.227 2.636 50 0 BFAARN COCc1ccccc1NC(=S)NC(C)C ZINC000044097014 344392274 /nfs/dbraw/zinc/39/22/74/344392274.db2.gz GGIMKWPKFGWUDF-UHFFFAOYSA-N 0 0 238.356 2.528 50 0 BFAARN Cc1cc(CN(C)C(=O)Nc2ccccc2)no1 ZINC000027353898 344443049 /nfs/dbraw/zinc/44/30/49/344443049.db2.gz DSQAXGZMVMGQDX-UHFFFAOYSA-N 0 0 245.282 2.647 50 0 BFAARN Cc1cc(C)n(C(=O)Cc2ccccc2F)n1 ZINC000005536669 537846366 /nfs/dbraw/zinc/84/63/66/537846366.db2.gz DBGHCMWPTIYQHF-UHFFFAOYSA-N 0 0 232.258 2.522 50 0 BFAARN Cc1nc(CO)ccc1-c1cc(F)cc(F)c1 ZINC000072233410 344519195 /nfs/dbraw/zinc/51/91/95/344519195.db2.gz RHXBNSFPSHCQLW-UHFFFAOYSA-N 0 0 235.233 2.828 50 0 BFAARN Cc1[nH]c2cc(C)ccc2c1C(=O)CN(C)C ZINC000000117507 344550200 /nfs/dbraw/zinc/55/02/00/344550200.db2.gz FNPGKNANOFATFU-UHFFFAOYSA-N 0 0 230.311 2.529 50 0 BFAARN CC[C@@H]1C(=O)O[C@H](c2ccccc2)C(C)(C)C1=O ZINC000000128453 344560012 /nfs/dbraw/zinc/56/00/12/344560012.db2.gz BQISGOZGIFFRIQ-WCQYABFASA-N 0 0 246.306 2.906 50 0 BFAARN CCc1ccc(/C=C/C(=O)Nc2cc(C)on2)o1 ZINC000011689820 344598852 /nfs/dbraw/zinc/59/88/52/344598852.db2.gz JRTHGSHNTZBVJM-VOTSOKGWSA-N 0 0 246.266 2.790 50 0 BFAARN CO[C@@H]1CCC[C@H]1Nc1nc2ccccc2o1 ZINC000050374446 344678984 /nfs/dbraw/zinc/67/89/84/344678984.db2.gz YXBZSSBEBHGDHY-MWLCHTKSSA-N 0 0 232.283 2.807 50 0 BFAARN CCCC(=O)N[C@@H](C)c1nc2ccccc2n1C ZINC000000200693 344636782 /nfs/dbraw/zinc/63/67/82/344636782.db2.gz LPBOGNDRJBAMMV-JTQLQIEISA-N 0 0 245.326 2.551 50 0 BFAARN CC(C)(C)NC(=O)Cc1ccccc1Cl ZINC000000372201 344734530 /nfs/dbraw/zinc/73/45/30/344734530.db2.gz QRRVXXQCCWEHIA-UHFFFAOYSA-N 0 0 225.719 2.797 50 0 BFAARN Cc1ccc(NC(=O)c2ccc(F)cc2)cc1N ZINC000019518153 178752205 /nfs/dbraw/zinc/75/22/05/178752205.db2.gz MQKGCHBTHYYTQV-UHFFFAOYSA-N 0 0 244.269 2.969 50 0 BFAARN Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccco2)nc1 ZINC000049376565 178749995 /nfs/dbraw/zinc/74/99/95/178749995.db2.gz UOVCFOVTDOHRQN-MNOVXSKESA-N 0 0 242.278 2.725 50 0 BFAARN Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1F ZINC000015084701 178750511 /nfs/dbraw/zinc/75/05/11/178750511.db2.gz COJLTFCILGNGNW-WPRPVWTQSA-N 0 0 207.248 2.729 50 0 BFAARN CCCCCCSc1nc(C)cc(=O)[nH]1 ZINC000005129290 344957469 /nfs/dbraw/zinc/95/74/69/344957469.db2.gz BVHSWWDTJRBRKS-UHFFFAOYSA-N 0 0 226.345 2.751 50 0 BFAARN CCC1=N[C@H](c2ccc(O)cc2)N(O)C1(C)C ZINC000019607400 168510234 /nfs/dbraw/zinc/51/02/34/168510234.db2.gz DPNDGTQEKNIWJD-LBPRGKRZSA-N 0 0 234.299 2.725 50 0 BFAARN Cc1ccc(O)c(NC(=O)Cc2cccs2)c1 ZINC000004666639 178800226 /nfs/dbraw/zinc/80/02/26/178800226.db2.gz LUBOZDGTIMNARN-UHFFFAOYSA-N 0 0 247.319 2.943 50 0 BFAARN Cc1ccc(OCCC(=O)N2CCCC2)cc1C ZINC000044666736 178810722 /nfs/dbraw/zinc/81/07/22/178810722.db2.gz HFZAAVGWJPXMMD-UHFFFAOYSA-N 0 0 247.338 2.695 50 0 BFAARN Cc1ccc(O[C@@H](C)C(=O)N2CCCC2)cc1C ZINC000008498670 178817451 /nfs/dbraw/zinc/81/74/51/178817451.db2.gz OOWFFMDEZKWGFZ-ZDUSSCGKSA-N 0 0 247.338 2.693 50 0 BFAARN O=C(CCn1cccc1)Nc1ccc(Cl)nc1 ZINC000073413978 345083750 /nfs/dbraw/zinc/08/37/50/345083750.db2.gz MMPMCPDQZADLPP-UHFFFAOYSA-N 0 0 249.701 2.565 50 0 BFAARN FC(F)Oc1cccc(C(F)(F)F)n1 ZINC000238528829 345068033 /nfs/dbraw/zinc/06/80/33/345068033.db2.gz WJGVQWIIUZTENU-UHFFFAOYSA-N 0 0 213.105 2.702 50 0 BFAARN Cc1ccc(S[C@@H](C)C(=O)N2CCC2)cc1 ZINC000012926231 178829479 /nfs/dbraw/zinc/82/94/79/178829479.db2.gz MWSBNIBBQXZZOY-NSHDSACASA-N 0 0 235.352 2.708 50 0 BFAARN Cc1ccc(S[C@H](C)C(=O)NC2CC2)cc1 ZINC000000382650 178829333 /nfs/dbraw/zinc/82/93/33/178829333.db2.gz XKEGMAMQSXUCGO-SNVBAGLBSA-N 0 0 235.352 2.754 50 0 BFAARN Cc1ccc(Sc2ncccc2C(N)=O)cc1 ZINC000000132004 178830339 /nfs/dbraw/zinc/83/03/39/178830339.db2.gz FGJYERMHEXAORL-UHFFFAOYSA-N 0 0 244.319 2.640 50 0 BFAARN Cc1cc(CN(C)c2ccncc2Cl)no1 ZINC000091429217 345592325 /nfs/dbraw/zinc/59/23/25/345592325.db2.gz WBCVJSGTTGHGBS-UHFFFAOYSA-N 0 0 237.690 2.668 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)c2ccoc2)o1 ZINC000023306470 178887911 /nfs/dbraw/zinc/88/79/11/178887911.db2.gz VXYOIACXSYCTNN-VIFPVBQESA-N 0 0 219.240 2.672 50 0 BFAARN Oc1cccc2c1CC[C@@H]2Nc1ccccn1 ZINC000091485171 345595129 /nfs/dbraw/zinc/59/51/29/345595129.db2.gz RBLMMPLFJYILGE-LBPRGKRZSA-N 0 0 226.279 2.887 50 0 BFAARN C[C@@H]1CC[C@H](OC(=O)c2cocn2)C[C@H]1C ZINC000253369803 345634168 /nfs/dbraw/zinc/63/41/68/345634168.db2.gz IIOSMUAHNLIVFT-BBBLOLIVSA-N 0 0 223.272 2.656 50 0 BFAARN Cn1cc(-c2csc(CC(F)(F)F)n2)cn1 ZINC000095963479 345687013 /nfs/dbraw/zinc/68/70/13/345687013.db2.gz OQFVJYMRFMMURW-UHFFFAOYSA-N 0 0 247.245 2.648 50 0 BFAARN O=C1C[C@@H](c2ccccc2)C1(Cl)Cl ZINC000000246005 345823819 /nfs/dbraw/zinc/82/38/19/345823819.db2.gz IMSRXSVLHDRDGF-QMMMGPOBSA-N 0 0 215.079 2.917 50 0 BFAARN Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CC(=O)[O-])cc1 ZINC000237399487 178925153 /nfs/dbraw/zinc/92/51/53/178925153.db2.gz VLSSEQJQTAEUKH-IUODEOHRSA-N 0 0 247.338 2.853 50 0 BFAARN CCCc1cc(=O)oc2cc(OC)cc(OC)c12 ZINC000000435122 345855635 /nfs/dbraw/zinc/85/56/35/345855635.db2.gz NEHXNKGHPJIQBT-UHFFFAOYSA-N 0 0 248.278 2.763 50 0 biogenic BFAARN CC[C@H](C)S(=O)(=O)Nc1cc(C)ccc1C ZINC000075106589 537926204 /nfs/dbraw/zinc/92/62/04/537926204.db2.gz PXLBOEVVRKJRND-NSHDSACASA-N 0 0 241.356 2.844 50 0 BFAARN O=Cc1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000146030340 345948988 /nfs/dbraw/zinc/94/89/88/345948988.db2.gz UPGDZSZALQCTNO-UHFFFAOYSA-N 0 0 220.011 2.714 50 0 BFAARN Cc1cc(Cl)c(N)cc1Br ZINC000147159412 346003979 /nfs/dbraw/zinc/00/39/79/346003979.db2.gz XQEPFFYBEOBNTF-UHFFFAOYSA-N 0 0 220.497 2.993 50 0 BFAARN Cc1ccc(C)c(N[C@@H](C)C(=O)N2CCCC2)c1 ZINC000057324306 537932254 /nfs/dbraw/zinc/93/22/54/537932254.db2.gz VMXHCYGWZOGUEK-ZDUSSCGKSA-N 0 0 246.354 2.726 50 0 BFAARN Cc1ccc(NC(=O)c2ccccc2C)nc1 ZINC000005571114 346027452 /nfs/dbraw/zinc/02/74/52/346027452.db2.gz CSTAOQBBOFQXPJ-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN O=C(c1c[nH]c2ccc(F)cc12)N1CCCCC1 ZINC000082272962 537937840 /nfs/dbraw/zinc/93/78/40/537937840.db2.gz JJGJIRSXFMBXPC-UHFFFAOYSA-N 0 0 246.285 2.933 50 0 BFAARN C[C@H](Cc1ccccc1)N(C)C(=O)c1ccco1 ZINC000669369974 537947062 /nfs/dbraw/zinc/94/70/62/537947062.db2.gz RXSDTLIXVOHPLE-GFCCVEGCSA-N 0 0 243.306 2.983 50 0 BFAARN Cc1cccc(-c2nc([C@@H]3CCOC3)no2)c1F ZINC000096147929 178996816 /nfs/dbraw/zinc/99/68/16/178996816.db2.gz CVERZNUVWADDEY-SECBINFHSA-N 0 0 248.257 2.688 50 0 BFAARN Cn1ccnc1CSc1ncccc1Cl ZINC000034067038 346187004 /nfs/dbraw/zinc/18/70/04/346187004.db2.gz QPXPCBWWQCQSCI-UHFFFAOYSA-N 0 0 239.731 2.761 50 0 BFAARN Cc1ccc(COc2ccccc2C(N)=O)cc1 ZINC000005346732 346195774 /nfs/dbraw/zinc/19/57/74/346195774.db2.gz GOFOEBCWMIJWIN-UHFFFAOYSA-N 0 0 241.290 2.673 50 0 BFAARN CCOC(=O)c1ccccc1NC(=O)CC(C)C ZINC000005474458 346236428 /nfs/dbraw/zinc/23/64/28/346236428.db2.gz DGDCDBZVMJGIEY-UHFFFAOYSA-N 0 0 249.310 2.848 50 0 BFAARN Cc1ccc(CNC(=O)c2cccc(C)n2)s1 ZINC000048340756 179019447 /nfs/dbraw/zinc/01/94/47/179019447.db2.gz QRJAJIIOWKCWSP-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN Cc1cccc(C(=O)NCc2ccccn2)c1C ZINC000012538320 179019460 /nfs/dbraw/zinc/01/94/60/179019460.db2.gz OWSACFWLBAFOFV-UHFFFAOYSA-N 0 0 240.306 2.628 50 0 BFAARN Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C)n1 ZINC000024449524 179020877 /nfs/dbraw/zinc/02/08/77/179020877.db2.gz TXRSGYURZUTBES-CMPLNLGQSA-N 0 0 232.327 2.699 50 0 BFAARN CCCC(=O)NCCN(CC)c1cccc(C)c1 ZINC000060794622 168549493 /nfs/dbraw/zinc/54/94/93/168549493.db2.gz YCJVOOVCGIABEG-UHFFFAOYSA-N 0 0 248.370 2.738 50 0 BFAARN Cc1cccc(C)c1NC(=O)NC(C)C ZINC000000396922 179040357 /nfs/dbraw/zinc/04/03/57/179040357.db2.gz HVAWBRCHWCBVOL-UHFFFAOYSA-N 0 0 206.289 2.833 50 0 BFAARN Cc1cccc(C)c1OC[C@@H](C)n1cnnc1 ZINC000065470559 179047866 /nfs/dbraw/zinc/04/78/66/179047866.db2.gz RPEDRYKBQVEFTQ-GFCCVEGCSA-N 0 0 231.299 2.535 50 0 BFAARN Cc1cccc(C)c1OCCn1ccnc1 ZINC000000431878 179048306 /nfs/dbraw/zinc/04/83/06/179048306.db2.gz GNGQXBOGOGYWDJ-UHFFFAOYSA-N 0 0 216.284 2.579 50 0 BFAARN Cc1cccc(CC(=O)Nc2nccs2)c1 ZINC000006729342 179052434 /nfs/dbraw/zinc/05/24/34/179052434.db2.gz GILNZSBQKMZFIX-UHFFFAOYSA-N 0 0 232.308 2.633 50 0 BFAARN O=Cc1cccc2ncc(Br)cc12 ZINC000584907076 537970019 /nfs/dbraw/zinc/97/00/19/537970019.db2.gz MYXMFXWNVBPPDR-UHFFFAOYSA-N 0 0 236.068 2.810 50 0 BFAARN Fc1ccc2nc3c(nc2c1)CCCC3 ZINC000000152749 346401224 /nfs/dbraw/zinc/40/12/24/346401224.db2.gz LVJIAZWMVZCECJ-UHFFFAOYSA-N 0 0 202.232 2.648 50 0 BFAARN CSc1nncc(-c2ccc(Cl)cc2)n1 ZINC000000091318 346403969 /nfs/dbraw/zinc/40/39/69/346403969.db2.gz YTYDLEUAHPVYPQ-UHFFFAOYSA-N 0 0 237.715 2.914 50 0 BFAARN O=c1c(Cl)cc(Cl)nn1-c1ccccc1 ZINC000000271948 346406137 /nfs/dbraw/zinc/40/61/37/346406137.db2.gz SPBXHODOBMVHQL-UHFFFAOYSA-N 0 0 241.077 2.539 50 0 BFAARN CC[C@@H](C)N(C)c1ccc(NC(C)=O)cc1 ZINC000000345663 346413298 /nfs/dbraw/zinc/41/32/98/346413298.db2.gz YJQYPYSZLNCGIC-SNVBAGLBSA-N 0 0 220.316 2.880 50 0 BFAARN Cc1ccc(CNC(=O)C(C)(C)C)c(C)c1 ZINC000000389981 346415868 /nfs/dbraw/zinc/41/58/68/346415868.db2.gz IIODSNXQOYLQQO-UHFFFAOYSA-N 0 0 219.328 2.966 50 0 BFAARN O=C(O[C@H]1C=CCCC1)c1ccccc1 ZINC000000405123 346418380 /nfs/dbraw/zinc/41/83/80/346418380.db2.gz APZIYLKXAJJSIZ-LBPRGKRZSA-N 0 0 202.253 2.952 50 0 BFAARN Cc1ccc2c(c1)C1(SCCS1)C(=O)N2 ZINC000001074651 346432160 /nfs/dbraw/zinc/43/21/60/346432160.db2.gz ZEUBZCDNTJHGFZ-UHFFFAOYSA-N 0 0 237.349 2.580 50 0 BFAARN CC(C)c1ccc(C(=O)NC2CC2)cc1 ZINC000001218629 346434074 /nfs/dbraw/zinc/43/40/74/346434074.db2.gz VFVBMKVASDVWHW-UHFFFAOYSA-N 0 0 203.285 2.702 50 0 BFAARN Cc1cccc(CNC(=O)c2ccc(C)nc2)c1 ZINC000012900149 179088238 /nfs/dbraw/zinc/08/82/38/179088238.db2.gz KAKKHVBBHNNOTH-UHFFFAOYSA-N 0 0 240.306 2.628 50 0 BFAARN Cc1csc(NC(=O)c2ccc(C)o2)n1 ZINC000002752963 346532009 /nfs/dbraw/zinc/53/20/09/346532009.db2.gz WRSWMUSLLACWBL-UHFFFAOYSA-N 0 0 222.269 2.605 50 0 BFAARN Cc1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000100490991 179123000 /nfs/dbraw/zinc/12/30/00/179123000.db2.gz PSKSWJCLXCHTTR-STQMWFEESA-N 0 0 243.306 2.675 50 0 BFAARN Cc1cccc(N2NC3(CCCCC3)NC2=O)c1 ZINC000015867874 179123497 /nfs/dbraw/zinc/12/34/97/179123497.db2.gz RZHRYJYWMMRJCU-UHFFFAOYSA-N 0 0 245.326 2.690 50 0 BFAARN Cc1ccc2c(c1C)OC(=O)CC2(C)C ZINC000004610823 346606055 /nfs/dbraw/zinc/60/60/55/346606055.db2.gz LBRFYYGBTNHQBM-UHFFFAOYSA-N 0 0 204.269 2.890 50 0 BFAARN Cc1nccn1CCC(=O)Nc1cccc(C)c1 ZINC000004004797 179127479 /nfs/dbraw/zinc/12/74/79/179127479.db2.gz RLGVNZYBNPKYEX-UHFFFAOYSA-N 0 0 243.310 2.529 50 0 BFAARN CCCCS(=O)(=O)Nc1ccc(F)cc1C ZINC000006725679 346655088 /nfs/dbraw/zinc/65/50/88/346655088.db2.gz YWLSCSAGMUWORZ-UHFFFAOYSA-N 0 0 245.319 2.676 50 0 BFAARN Cc1cccc(NC(=O)N2CCS[C@@H]2C)c1 ZINC000028232227 179132236 /nfs/dbraw/zinc/13/22/36/179132236.db2.gz ZOOCQGJFWPGEHX-SNVBAGLBSA-N 0 0 236.340 2.922 50 0 BFAARN Cc1cccc(NC(=O)N2CCS[C@H]2C)c1 ZINC000028232224 179132352 /nfs/dbraw/zinc/13/23/52/179132352.db2.gz ZOOCQGJFWPGEHX-JTQLQIEISA-N 0 0 236.340 2.922 50 0 BFAARN c1cc2ccc(C3=NCCS3)cc2[nH]1 ZINC000584904530 346641159 /nfs/dbraw/zinc/64/11/59/346641159.db2.gz PJGFKSPVNKNQNI-UHFFFAOYSA-N 0 0 202.282 2.661 50 0 BFAARN Cc1cccc(NC(=O)NCCc2ccco2)c1 ZINC000009218502 179134164 /nfs/dbraw/zinc/13/41/64/179134164.db2.gz LSNWOQMIYOEPDR-UHFFFAOYSA-N 0 0 244.294 2.952 50 0 BFAARN Cc1cccc(NC(=O)c2cc(F)cc(F)c2)n1 ZINC000025046105 179142329 /nfs/dbraw/zinc/14/23/29/179142329.db2.gz RPGWGTLMQJSDOB-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN Cc1cccc(NCC(=O)N2CCCCC2)c1C ZINC000058374131 179144500 /nfs/dbraw/zinc/14/45/00/179144500.db2.gz GVQGJMLRNLNWIG-UHFFFAOYSA-N 0 0 246.354 2.728 50 0 BFAARN Cc1cccc(NCc2ncccn2)c1F ZINC000300866098 179152318 /nfs/dbraw/zinc/15/23/18/179152318.db2.gz OUHDALUXRNTKCK-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN O=Cc1cccc(F)c1-c1ccncc1F ZINC000725242635 537986413 /nfs/dbraw/zinc/98/64/13/537986413.db2.gz PBIMGKOYHYZVRX-UHFFFAOYSA-N 0 0 219.190 2.839 50 0 BFAARN Cc1cccc(OC(=O)c2cccnc2)c1C ZINC000000363980 179162517 /nfs/dbraw/zinc/16/25/17/179162517.db2.gz ISNKNUUHBASGIP-UHFFFAOYSA-N 0 0 227.263 2.918 50 0 BFAARN Cc1cccc(OC(=O)c2cccnc2)c1 ZINC000000241595 179162609 /nfs/dbraw/zinc/16/26/09/179162609.db2.gz BUSZXQBIIPQKMP-UHFFFAOYSA-N 0 0 213.236 2.609 50 0 BFAARN Cc1cccc(OCC(=O)NC(C)(C)C)c1C ZINC000000122158 179163003 /nfs/dbraw/zinc/16/30/03/179163003.db2.gz WYHPGFWWJDVXKQ-UHFFFAOYSA-N 0 0 235.327 2.597 50 0 BFAARN COc1ccc(-c2ccc(C=O)cc2)cc1C=O ZINC000725242622 537986654 /nfs/dbraw/zinc/98/66/54/537986654.db2.gz NDOLFCPHLKMAGY-UHFFFAOYSA-N 0 0 240.258 2.987 50 0 BFAARN Cc1cccc(O[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000014399404 179172893 /nfs/dbraw/zinc/17/28/93/179172893.db2.gz VORRIFCRPWXNSK-NSHDSACASA-N 0 0 235.327 2.677 50 0 BFAARN Cc1cccc(Oc2ncccc2N)c1 ZINC000020278564 179176181 /nfs/dbraw/zinc/17/61/81/179176181.db2.gz SFDXCFLJBCHFOC-UHFFFAOYSA-N 0 0 200.241 2.765 50 0 BFAARN CCCC(=O)Nc1nnc(-c2ccc(F)cc2)o1 ZINC000004275979 168568038 /nfs/dbraw/zinc/56/80/38/168568038.db2.gz SBQJXXULIHEEAC-UHFFFAOYSA-N 0 0 249.245 2.614 50 0 BFAARN Cc1n[nH]c2c1C(=O)C[C@H](c1cccc(C)c1)C2 ZINC000008743635 179203917 /nfs/dbraw/zinc/20/39/17/179203917.db2.gz GTGIEROGWVRKLT-GFCCVEGCSA-N 0 0 240.306 2.939 50 0 BFAARN Cc1cccc2c1N[C@@H](c1cccs1)NC2=O ZINC000028923416 179219907 /nfs/dbraw/zinc/21/99/07/179219907.db2.gz NCJWYFSKCCNQNU-GFCCVEGCSA-N 0 0 244.319 2.911 50 0 BFAARN Cc1cccc2[nH]c(-c3nccs3)nc21 ZINC000067740011 179227964 /nfs/dbraw/zinc/22/79/64/179227964.db2.gz FDUZDXKZCIQUST-UHFFFAOYSA-N 0 0 215.281 2.995 50 0 BFAARN Cc1ccccc1C(=O)C(C)(C)N(C)C ZINC000044124644 179245695 /nfs/dbraw/zinc/24/56/95/179245695.db2.gz PHRVOZMNJGQHGT-UHFFFAOYSA-N 0 0 205.301 2.518 50 0 BFAARN CSc1nnc(-c2cccc(C)c2)n1C ZINC000012916930 347475229 /nfs/dbraw/zinc/47/52/29/347475229.db2.gz ZBYUITRKVLSKQZ-UHFFFAOYSA-N 0 0 219.313 2.512 50 0 BFAARN Cc1ccccc1C(=O)N1C[C@@H](C)OCC1(C)C ZINC000036075959 179248513 /nfs/dbraw/zinc/24/85/13/179248513.db2.gz MLBGDSCCGGWOAC-GFCCVEGCSA-N 0 0 247.338 2.635 50 0 BFAARN Cc1ccccc1C(=O)n1cc(Cl)cn1 ZINC000000037175 179254311 /nfs/dbraw/zinc/25/43/11/179254311.db2.gz LBFRMVGIANQWAQ-UHFFFAOYSA-N 0 0 220.659 2.533 50 0 in-vivo BFAARN Cc1ccccc1CCNC(=O)c1ccco1 ZINC000023228659 179264976 /nfs/dbraw/zinc/26/49/76/179264976.db2.gz PGZPXDXCHRZEQA-UHFFFAOYSA-N 0 0 229.279 2.561 50 0 BFAARN CC(C)Cn1ccnc1NC(=O)c1ccsc1 ZINC000150046272 347592082 /nfs/dbraw/zinc/59/20/82/347592082.db2.gz KASFLUYLKJXOPU-UHFFFAOYSA-N 0 0 249.339 2.853 50 0 BFAARN Cc1ccccc1CC(=O)N1CCC(C)CC1 ZINC000058955313 179256976 /nfs/dbraw/zinc/25/69/76/179256976.db2.gz UZMOKHDAIMILPJ-UHFFFAOYSA-N 0 0 231.339 2.796 50 0 BFAARN Cc1cccc2c1CCN2Cc1ccc(CO)o1 ZINC000195556546 347640774 /nfs/dbraw/zinc/64/07/74/347640774.db2.gz NGRHZXWRBITBBY-UHFFFAOYSA-N 0 0 243.306 2.643 50 0 BFAARN Cc1noc([C@@H](C)SCC[C@H]2CCCO2)n1 ZINC000195576804 347648729 /nfs/dbraw/zinc/64/87/29/347648729.db2.gz BXORNHOOZUNCTR-PSASIEDQSA-N 0 0 242.344 2.741 50 0 BFAARN Cc1ccccc1CNC(=O)C(C)(C)C ZINC000040460953 179276649 /nfs/dbraw/zinc/27/66/49/179276649.db2.gz WEBMFYJDZHTDGB-UHFFFAOYSA-N 0 0 205.301 2.657 50 0 BFAARN Cc1ccccc1CSc1[nH]c(=O)ncc1C ZINC000015952217 179287169 /nfs/dbraw/zinc/28/71/69/179287169.db2.gz WUPRXKFDTRDCDB-UHFFFAOYSA-N 0 0 246.335 2.679 50 0 BFAARN Cc1ccccc1CSCC(=O)NC1CC1 ZINC000000452109 179287211 /nfs/dbraw/zinc/28/72/11/179287211.db2.gz ZXTKOFMGADFAAC-UHFFFAOYSA-N 0 0 235.352 2.507 50 0 BFAARN Cc1ccccc1Cn1ccc2occc2c1=O ZINC000098009434 179294369 /nfs/dbraw/zinc/29/43/69/179294369.db2.gz SHBHORWOFXFITI-UHFFFAOYSA-N 0 0 239.274 2.951 50 0 BFAARN CCCC(CCC)C(=O)NCc1ccc[nH]1 ZINC000095973468 168579568 /nfs/dbraw/zinc/57/95/68/168579568.db2.gz AXPYGGUVSJVTGP-UHFFFAOYSA-N 0 0 222.332 2.847 50 0 BFAARN COc1cc(F)cc(-c2cscn2)c1 ZINC000669380828 537992952 /nfs/dbraw/zinc/99/29/52/537992952.db2.gz QPNPVHUAMZMHAI-UHFFFAOYSA-N 0 0 209.245 2.958 50 0 BFAARN Cc1ccccc1NC(=O)NCC1CCOCC1 ZINC000169763045 179300311 /nfs/dbraw/zinc/30/03/11/179300311.db2.gz SBBLYNKVQMBTPA-UHFFFAOYSA-N 0 0 248.326 2.543 50 0 BFAARN Cc1ccccc1NC(=O)c1ccc[nH]1 ZINC000072277258 179303393 /nfs/dbraw/zinc/30/33/93/179303393.db2.gz RJPFSYBRXZJLTL-UHFFFAOYSA-N 0 0 200.241 2.575 50 0 BFAARN Cc1ccccc1NC(=O)c1ccncc1 ZINC000000225731 179303641 /nfs/dbraw/zinc/30/36/41/179303641.db2.gz HDXFMZAMFCTPSU-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN Cc1noc(C)c1C(=O)Nc1ccccc1C ZINC000000251935 179303795 /nfs/dbraw/zinc/30/37/95/179303795.db2.gz YXPGOKQPAOLYAD-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN Cc1ccccc1NC(=O)C[C@H](C)n1cccn1 ZINC000020990820 179299504 /nfs/dbraw/zinc/29/95/04/179299504.db2.gz DHQZBHCIMGZDOD-LBPRGKRZSA-N 0 0 243.310 2.781 50 0 BFAARN Cc1ccccc1NC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000006726193 179300222 /nfs/dbraw/zinc/30/02/22/179300222.db2.gz DHHJFEJPNKVFIM-WCQYABFASA-N 0 0 248.326 2.684 50 0 BFAARN Cc1ccccc1OCCCC(=O)NC(C)C ZINC000005756297 179309509 /nfs/dbraw/zinc/30/95/09/179309509.db2.gz OBHMVNVPRDQBTC-UHFFFAOYSA-N 0 0 235.327 2.679 50 0 BFAARN Cc1ccccc1OCCC(=O)NC(C)(C)C ZINC000042137374 179309901 /nfs/dbraw/zinc/30/99/01/179309901.db2.gz KHOJOEDSFSGZKT-UHFFFAOYSA-N 0 0 235.327 2.679 50 0 BFAARN Cc1ccccc1S(=O)(=O)Cc1ccccc1 ZINC000039260615 179314208 /nfs/dbraw/zinc/31/42/08/179314208.db2.gz BJYFWJNJRKCIDJ-UHFFFAOYSA-N 0 0 246.331 2.969 50 0 BFAARN Cc1ccccc1[C@@H](C)NC(=O)c1cccnc1 ZINC000023525041 179320414 /nfs/dbraw/zinc/32/04/14/179320414.db2.gz VCYHUGDKTSFVNO-GFCCVEGCSA-N 0 0 240.306 2.881 50 0 BFAARN Cc1ccn2c(c1)nc(Cl)c(C(C)C)c2=O ZINC000725244622 537998501 /nfs/dbraw/zinc/99/85/01/537998501.db2.gz KTQMYPPKFUGDNG-UHFFFAOYSA-N 0 0 236.702 2.780 50 0 BFAARN Cc1cccnc1-c1noc(C(C)(C)F)n1 ZINC000273669596 179359468 /nfs/dbraw/zinc/35/94/68/179359468.db2.gz GUQJLHCQYLWOTH-UHFFFAOYSA-N 0 0 221.235 2.645 50 0 BFAARN Cc1cccnc1C(=O)c1ccc(F)cc1 ZINC000043616286 179365944 /nfs/dbraw/zinc/36/59/44/179365944.db2.gz APUVRZPRUXFUAX-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN Cc1cccnc1C(=O)c1ccc(F)cc1F ZINC000045028689 179367096 /nfs/dbraw/zinc/36/70/96/179367096.db2.gz PLHPJCXTIPHCRB-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CC[C@]1(C(=O)OC)O[C@@]1(C)C1CCCCC1 ZINC000669382218 538000559 /nfs/dbraw/zinc/00/05/59/538000559.db2.gz BSXVWPOBRGBAOH-QWHCGFSZSA-N 0 0 226.316 2.677 50 0 BFAARN CCSc1nnc(NCc2ccco2)s1 ZINC000014302880 362860660 /nfs/dbraw/zinc/86/06/60/362860660.db2.gz PSVIFBFPUYDBCL-UHFFFAOYSA-N 0 0 241.341 2.855 50 0 BFAARN Cc1cccnc1NC(=O)Cc1ccccc1 ZINC000000360807 179390430 /nfs/dbraw/zinc/39/04/30/179390430.db2.gz TVJKBGDHDMFSTA-UHFFFAOYSA-N 0 0 226.279 2.571 50 0 BFAARN Cc1ccnc(NC(=O)CCc2ccccc2)c1 ZINC000000383464 179435017 /nfs/dbraw/zinc/43/50/17/179435017.db2.gz LRURKIJHDFIDFF-UHFFFAOYSA-N 0 0 240.306 2.961 50 0 BFAARN Cc1ccnc(NC(=O)Cc2ccccc2C)c1 ZINC000006715571 179435952 /nfs/dbraw/zinc/43/59/52/179435952.db2.gz GVJWZXHBGCHFKA-UHFFFAOYSA-N 0 0 240.306 2.880 50 0 BFAARN Cc1ccsc1COC(=O)C1=COCCC1 ZINC000097047008 179550413 /nfs/dbraw/zinc/55/04/13/179550413.db2.gz SWGFRSIMUDVFHA-UHFFFAOYSA-N 0 0 238.308 2.794 50 0 BFAARN Clc1nccc(NCc2cccs2)n1 ZINC000038579706 348714235 /nfs/dbraw/zinc/71/42/35/348714235.db2.gz SRTYKWUAAVWWRA-UHFFFAOYSA-N 0 0 225.704 2.804 50 0 BFAARN Clc1nccc(-c2cccnc2Cl)n1 ZINC000038580170 348714357 /nfs/dbraw/zinc/71/43/57/348714357.db2.gz AJJAVBGWTHGSQO-UHFFFAOYSA-N 0 0 226.066 2.845 50 0 BFAARN Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000075300740 179628241 /nfs/dbraw/zinc/62/82/41/179628241.db2.gz XIIPQPUEUHENHU-UHFFFAOYSA-N 0 0 214.290 2.799 50 0 BFAARN O=C(c1ccc2ccccc2c1)N1CCC1 ZINC000040461937 348781298 /nfs/dbraw/zinc/78/12/98/348781298.db2.gz AEOOPSJZMCKMGH-UHFFFAOYSA-N 0 0 211.264 2.686 50 0 BFAARN c1cc2c(nccc2-c2cnn(CC3CC3)c2)[nH]1 ZINC000113122954 348932372 /nfs/dbraw/zinc/93/23/72/348932372.db2.gz IUMPZECXORUGLN-UHFFFAOYSA-N 0 0 238.294 2.836 50 0 BFAARN CCCc1ccc(OC)cc1NC(C)=O ZINC000000133143 187407411 /nfs/dbraw/zinc/40/74/11/187407411.db2.gz JLGLTPDRXVFJEZ-UHFFFAOYSA-N 0 0 207.273 2.606 50 0 BFAARN Fc1cccc(NC(=S)N2CCCC2)c1 ZINC000000315206 187408466 /nfs/dbraw/zinc/40/84/66/187408466.db2.gz GRSLAGARSHFMIW-UHFFFAOYSA-N 0 0 224.304 2.618 50 0 BFAARN CC(C)=CC(=O)Nc1ccc(F)c(F)c1 ZINC000022928320 187419648 /nfs/dbraw/zinc/41/96/48/187419648.db2.gz KWZLWVYMUWKGBC-UHFFFAOYSA-N 0 0 211.211 2.870 50 0 BFAARN Cc1csc(NC(=O)c2ccoc2C)n1 ZINC000000476731 179788683 /nfs/dbraw/zinc/78/86/83/179788683.db2.gz OGQPXXQSTQREPA-UHFFFAOYSA-N 0 0 222.269 2.605 50 0 BFAARN COCc1ccccc1C(=O)NCCC(C)C ZINC000046116315 187434014 /nfs/dbraw/zinc/43/40/14/187434014.db2.gz SSQOYDQPJLCTBQ-UHFFFAOYSA-N 0 0 235.327 2.609 50 0 BFAARN Cc1nc(C(C)(C)C)sc1C(=O)NC1CC1 ZINC000058411669 179894379 /nfs/dbraw/zinc/89/43/79/179894379.db2.gz PCPWOOKDQDZPSV-UHFFFAOYSA-N 0 0 238.356 2.641 50 0 BFAARN Cc1nc(-c2ccccc2Br)no1 ZINC000004277413 179867617 /nfs/dbraw/zinc/86/76/17/179867617.db2.gz WLLDZYVHNSXWSY-UHFFFAOYSA-N 0 0 239.072 2.808 50 0 BFAARN Cc1nc(-c2ccccn2)nc(N(C)C)c1Cl ZINC000006469901 179868310 /nfs/dbraw/zinc/86/83/10/179868310.db2.gz UWTMTSMDQQWREF-UHFFFAOYSA-N 0 0 248.717 2.566 50 0 BFAARN CCCc1nccn1-c1cc(O)c(F)c(F)c1 ZINC000065494588 191001868 /nfs/dbraw/zinc/00/18/68/191001868.db2.gz AGWAILOEEQKJGN-UHFFFAOYSA-N 0 0 238.237 2.809 50 0 BFAARN C=CCOC(=O)OC1=CC(=O)[C@@H](C)CCC1 ZINC000043198609 323236692 /nfs/dbraw/zinc/23/66/92/323236692.db2.gz AMQMIGYDWJAPTE-VIFPVBQESA-N 0 0 224.256 2.599 50 0 BFAARN Cc1nc2[nH]cc(Br)c2c(Cl)n1 ZINC000082046540 179987830 /nfs/dbraw/zinc/98/78/30/179987830.db2.gz XGBXHIJPFPEGBV-UHFFFAOYSA-N 0 0 246.495 2.682 50 0 BFAARN Cc1nc2sccc2c(N2CCCC2)n1 ZINC000002696171 180000586 /nfs/dbraw/zinc/00/05/86/180000586.db2.gz ZDZIJQJTIMZWFS-UHFFFAOYSA-N 0 0 219.313 2.600 50 0 BFAARN Cc1nc2cc(Br)ccc2n1C ZINC000082600224 180075915 /nfs/dbraw/zinc/07/59/15/180075915.db2.gz KXQPLXMYJLKDMW-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Cc1nc2cc(F)c(Br)cc2[nH]1 ZINC000086598668 180076720 /nfs/dbraw/zinc/07/67/20/180076720.db2.gz LQUQFKLVEZSIDG-UHFFFAOYSA-N 0 0 229.052 2.773 50 0 BFAARN O=C(C[C@H]1CCc2ccccc21)N1CCCC1 ZINC000089858075 362950949 /nfs/dbraw/zinc/95/09/49/362950949.db2.gz XBAPVZTXDSUQAJ-CYBMUJFWSA-N 0 0 229.323 2.729 50 0 BFAARN Cc1nc2cc(NC(=O)C(C)(C)C)ccc2[nH]1 ZINC000020911117 180082552 /nfs/dbraw/zinc/08/25/52/180082552.db2.gz UUKPMQIIEIXLME-UHFFFAOYSA-N 0 0 231.299 2.856 50 0 BFAARN O=C(Cc1ccccc1F)Nc1ccncc1F ZINC000132274603 191030589 /nfs/dbraw/zinc/03/05/89/191030589.db2.gz DNLPMFRKLYQUJL-UHFFFAOYSA-N 0 0 248.232 2.541 50 0 BFAARN Cc1nc2ccccc2nc1CS[C@@H](C)CO ZINC000172981614 180102726 /nfs/dbraw/zinc/10/27/26/180102726.db2.gz CIVUSEQGGPVEQV-VIFPVBQESA-N 0 0 248.351 2.552 50 0 BFAARN Cc1nc2ccccc2nc1S[C@H]1CCOC1 ZINC000188293156 180105326 /nfs/dbraw/zinc/10/53/26/180105326.db2.gz LGZNLTSVLPYTBK-JTQLQIEISA-N 0 0 246.335 2.819 50 0 BFAARN CCCCC(=O)NC(=O)Nc1ccc(F)cc1 ZINC000002141533 168617996 /nfs/dbraw/zinc/61/79/96/168617996.db2.gz XDVBVQDZLZYGRD-UHFFFAOYSA-N 0 0 238.262 2.664 50 0 BFAARN CC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000023927561 350216167 /nfs/dbraw/zinc/21/61/67/350216167.db2.gz WSYPVWZYSIODQX-QMMMGPOBSA-N 0 0 203.241 2.630 50 0 BFAARN Cc1nccc(OC(F)F)c1Br ZINC000263624920 180207554 /nfs/dbraw/zinc/20/75/54/180207554.db2.gz VEZDWMSDGBUVEM-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN Cc1ncccc1CNc1cncc(F)c1 ZINC000335600005 180222845 /nfs/dbraw/zinc/22/28/45/180222845.db2.gz PFPGHSXBYREXCU-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN Cc1nccn1CCCSCC1CC1 ZINC000096493604 180246860 /nfs/dbraw/zinc/24/68/60/180246860.db2.gz MEUCGANZHNXBMD-UHFFFAOYSA-N 0 0 210.346 2.725 50 0 BFAARN Cc1ncn(C23CC4CC(CC(C4)C2)C3)n1 ZINC000004031282 180285339 /nfs/dbraw/zinc/28/53/39/180285339.db2.gz OQRLZJCTKYSSGD-UHFFFAOYSA-N 0 0 217.316 2.512 50 0 BFAARN CC(=O)Nc1sc(C)nc1-c1ccco1 ZINC000027015864 350295534 /nfs/dbraw/zinc/29/55/34/350295534.db2.gz ZCFUTRDYHSMBDQ-UHFFFAOYSA-N 0 0 222.269 2.670 50 0 BFAARN Cn1cccc1-c1csc(NC2CC2)n1 ZINC000029599460 350367738 /nfs/dbraw/zinc/36/77/38/350367738.db2.gz PNXIOXPTJRLGAA-UHFFFAOYSA-N 0 0 219.313 2.723 50 0 BFAARN CC(C)(C)SCC(=O)Nc1ccccn1 ZINC000040047650 350349628 /nfs/dbraw/zinc/34/96/28/350349628.db2.gz IKVAKUODEDQRQV-UHFFFAOYSA-N 0 0 224.329 2.552 50 0 BFAARN O=Cc1cnn(-c2cc(Cl)ccc2Cl)c1 ZINC000040449011 350364132 /nfs/dbraw/zinc/36/41/32/350364132.db2.gz VPZQFOYPBHYLJW-UHFFFAOYSA-N 0 0 241.077 2.992 50 0 BFAARN CCOc1ccccc1CCC(=O)N[C@H](C)CC ZINC000040462828 350365236 /nfs/dbraw/zinc/36/52/36/350365236.db2.gz RCBRUPKCFUNMBT-GFCCVEGCSA-N 0 0 249.354 2.933 50 0 BFAARN CC(C)(C)SCC(=O)Nc1cccnc1 ZINC000040459463 350365774 /nfs/dbraw/zinc/36/57/74/350365774.db2.gz FWOIZZBIQHEPCI-UHFFFAOYSA-N 0 0 224.329 2.552 50 0 BFAARN Cc1ccc(CC(=O)N2CCCC[C@H]2C)cc1 ZINC000000464768 350333116 /nfs/dbraw/zinc/33/31/16/350333116.db2.gz WLSUWIQOWFLZHE-CYBMUJFWSA-N 0 0 231.339 2.939 50 0 BFAARN Cc1nn(-c2ccc(Cl)nn2)c(C)c1Cl ZINC000033268235 180329513 /nfs/dbraw/zinc/32/95/13/180329513.db2.gz BABPKBAOMKFUJC-UHFFFAOYSA-N 0 0 243.097 2.586 50 0 BFAARN Cc1nn(C(=O)OC(C)(C)C)c2ccc(N)cc12 ZINC000089195683 180332051 /nfs/dbraw/zinc/33/20/51/180332051.db2.gz CXGODNRKGDPRKB-UHFFFAOYSA-N 0 0 247.298 2.710 50 0 BFAARN Cc1nn(C)c(C)c1NC(=O)Nc1ccccc1 ZINC000000130252 180343984 /nfs/dbraw/zinc/34/39/84/180343984.db2.gz SXMODAATGUJTRZ-UHFFFAOYSA-N 0 0 244.298 2.681 50 0 BFAARN Cc1[n-]n(C)c(=O)c1C(=[NH2+])c1cccc(Cl)c1 ZINC000029481319 180359468 /nfs/dbraw/zinc/35/94/68/180359468.db2.gz VUFGIFKNJLPULJ-UHFFFAOYSA-N 0 0 249.701 2.504 50 0 BFAARN C[C@H](N(C)C(=O)c1ccco1)C(C)(C)C ZINC000032788132 350429991 /nfs/dbraw/zinc/42/99/91/350429991.db2.gz UDFMXIMOBHBERZ-VIFPVBQESA-N 0 0 209.289 2.786 50 0 BFAARN CCc1cc2c(ncnc2NC2CC2)s1 ZINC000033078220 350440383 /nfs/dbraw/zinc/44/03/83/350440383.db2.gz PPKCOAPEZNTVSG-UHFFFAOYSA-N 0 0 219.313 2.828 50 0 BFAARN Cc1nnc(-c2ccccc2Br)o1 ZINC000005423638 180396650 /nfs/dbraw/zinc/39/66/50/180396650.db2.gz QOMHHFGPICCGLG-UHFFFAOYSA-N 0 0 239.072 2.808 50 0 BFAARN CC(C)Oc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000000144385 191108452 /nfs/dbraw/zinc/10/84/52/191108452.db2.gz PCXWRNRGGODMSS-UHFFFAOYSA-N 0 0 247.216 2.975 50 0 BFAARN Cc1cc(C=O)cc2c1OC(C)(C)CC2 ZINC000140771838 191111752 /nfs/dbraw/zinc/11/17/52/191111752.db2.gz NEOFZJKXOGBDRX-UHFFFAOYSA-N 0 0 204.269 2.911 50 0 BFAARN CCCCCC(=O)Nc1ccc(OC)nc1 ZINC000002582423 168641764 /nfs/dbraw/zinc/64/17/64/168641764.db2.gz XBBBOMFOECKEPI-UHFFFAOYSA-N 0 0 222.288 2.609 50 0 BFAARN O=C(OCc1cc(F)cc(F)c1)C1CCC1 ZINC000000165545 187468990 /nfs/dbraw/zinc/46/89/90/187468990.db2.gz CTPXRHCAPYKLGS-UHFFFAOYSA-N 0 0 226.222 2.808 50 0 BFAARN Cc1noc([C@H](C)N(C)Cc2ccccc2F)n1 ZINC000065575541 180498445 /nfs/dbraw/zinc/49/84/45/180498445.db2.gz SHPLCCVWEODASN-VIFPVBQESA-N 0 0 249.289 2.710 50 0 BFAARN CC(C)(C)Cc1nc(-c2ccncc2)no1 ZINC000006697255 187470218 /nfs/dbraw/zinc/47/02/18/187470218.db2.gz XYDQTIGPCDIBPV-UHFFFAOYSA-N 0 0 217.272 2.720 50 0 BFAARN Cc1ccccc1NC(=O)N1CCCC1 ZINC000004833874 191121391 /nfs/dbraw/zinc/12/13/91/191121391.db2.gz WNCGDTFYTQGWJN-UHFFFAOYSA-N 0 0 204.273 2.623 50 0 BFAARN C(=C/c1ccccc1)\CSc1nc[nH]n1 ZINC000005946255 191122664 /nfs/dbraw/zinc/12/26/64/191122664.db2.gz LTULOTXFKDUUOC-QPJJXVBHSA-N 0 0 217.297 2.610 50 0 BFAARN Cc1cccc(NC(=O)c2ccc(Cl)nc2)n1 ZINC000012820522 191125730 /nfs/dbraw/zinc/12/57/30/191125730.db2.gz ZZRIRLOTVWEOQO-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN CCC(=O)c1cc(F)cc(Br)c1O ZINC000052068527 350901968 /nfs/dbraw/zinc/90/19/68/350901968.db2.gz HPOQYGSGVWZJRQ-UHFFFAOYSA-N 0 0 247.063 2.887 50 0 BFAARN Cc1occc1C(=O)Nc1ccccc1F ZINC000000442312 180539285 /nfs/dbraw/zinc/53/92/85/180539285.db2.gz HZAIMMBNVULHML-UHFFFAOYSA-N 0 0 219.215 2.979 50 0 BFAARN Cc1nnc2c(C)c(Cl)c3ccc(C)nc3n12 ZINC000001016789 350978545 /nfs/dbraw/zinc/97/85/45/350978545.db2.gz AUEDOGSSMRJORI-UHFFFAOYSA-N 0 0 246.701 2.856 50 0 BFAARN COC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000001052090 350996783 /nfs/dbraw/zinc/99/67/83/350996783.db2.gz WPFAXOGAXWFQAT-UHFFFAOYSA-N 0 0 214.290 2.619 50 0 BFAARN Nc1nc2ccccc2c(-c2ccccc2)n1 ZINC000001698178 351029784 /nfs/dbraw/zinc/02/97/84/351029784.db2.gz TXPOSODBCCBORG-UHFFFAOYSA-N 0 0 221.263 2.879 50 0 BFAARN Cc1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000000126500 180559389 /nfs/dbraw/zinc/55/93/89/180559389.db2.gz SPFVRIGOQYHRIH-UHFFFAOYSA-N 0 0 248.351 2.801 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2ccccc2C1=N ZINC000169726155 187474844 /nfs/dbraw/zinc/47/48/44/187474844.db2.gz NMZSHHZAXJELHZ-UHFFFAOYSA-N 0 0 246.310 2.805 50 0 BFAARN O=C1c2occc2CCc2ccsc21 ZINC000005949471 351336732 /nfs/dbraw/zinc/33/67/32/351336732.db2.gz ASYQYMKFFRCTQR-UHFFFAOYSA-N 0 0 204.250 2.671 50 0 BFAARN CC(C)(C)c1ccc2occ(CC(N)=O)c2c1 ZINC000012381759 187478066 /nfs/dbraw/zinc/47/80/66/187478066.db2.gz SGXPAFSZEJWEOF-UHFFFAOYSA-N 0 0 231.295 2.758 50 0 BFAARN Clc1cnc(Br)c(Cl)n1 ZINC000081991268 180597935 /nfs/dbraw/zinc/59/79/35/180597935.db2.gz CCUUKMSFOYYAKB-UHFFFAOYSA-N 0 0 227.876 2.546 50 0 BFAARN Clc1cnc2[nH]cc(Br)c2c1 ZINC000016698732 180598179 /nfs/dbraw/zinc/59/81/79/180598179.db2.gz MWDJROWZDUZXBP-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Clc1ncccc1-c1nc(C2CC2)no1 ZINC000045893941 180602682 /nfs/dbraw/zinc/60/26/82/180602682.db2.gz ZIPVAPWNHHGIKN-UHFFFAOYSA-N 0 0 221.647 2.662 50 0 BFAARN Cn1c(C=O)cc2ccc(Br)cc21 ZINC000091294515 180617010 /nfs/dbraw/zinc/61/70/10/180617010.db2.gz VJGLQRJZOPPFPO-UHFFFAOYSA-N 0 0 238.084 2.753 50 0 BFAARN CSc1ccc(NCc2cscn2)cn1 ZINC000095430880 191141173 /nfs/dbraw/zinc/14/11/73/191141173.db2.gz KGBMUKYMBJZUFP-UHFFFAOYSA-N 0 0 237.353 2.872 50 0 BFAARN CC[C@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000041881220 351860099 /nfs/dbraw/zinc/86/00/99/351860099.db2.gz ZSKOGOLHDNEBSE-QMMMGPOBSA-N 0 0 223.238 2.587 50 0 BFAARN CC[C@@H](C)SCC(=O)N1CCC(C)CC1 ZINC000003222999 352011135 /nfs/dbraw/zinc/01/11/35/352011135.db2.gz IKCKLWDMZOLZQV-LLVKDONJSA-N 0 0 229.389 2.777 50 0 BFAARN Cc1ccc(NC(=O)NC[C@H]2CCCO2)cc1C ZINC000003206586 351999631 /nfs/dbraw/zinc/99/96/31/351999631.db2.gz VBEMSQWLOQAKRE-CYBMUJFWSA-N 0 0 248.326 2.604 50 0 BFAARN C[C@@H](Sc1nc[nH]n1)c1ccccc1F ZINC000044029596 352131040 /nfs/dbraw/zinc/13/10/40/352131040.db2.gz GZKGMGYNDHTLAQ-SSDOTTSWSA-N 0 0 223.276 2.797 50 0 BFAARN Cc1c(N)cccc1NC(=O)OC(C)(C)C ZINC000002547914 363147502 /nfs/dbraw/zinc/14/75/02/363147502.db2.gz JNBGTBRWZRCMJJ-UHFFFAOYSA-N 0 0 222.288 2.924 50 0 BFAARN CCCCC(=O)Nc1ccc(Cl)cn1 ZINC000003771114 352362849 /nfs/dbraw/zinc/36/28/49/352362849.db2.gz PXFQRDYMGCMXAD-UHFFFAOYSA-N 0 0 212.680 2.864 50 0 BFAARN OCCSc1cc(F)cc(Cl)c1 ZINC000604941646 352407540 /nfs/dbraw/zinc/40/75/40/352407540.db2.gz RDPPYYVLFRHIKH-UHFFFAOYSA-N 0 0 206.669 2.564 50 0 BFAARN Cc1ccc(C(=O)c2ccccc2)c(N)c1 ZINC000000407110 187755651 /nfs/dbraw/zinc/75/56/51/187755651.db2.gz YINYAGBOKBLJHY-UHFFFAOYSA-N 0 0 211.264 2.808 50 0 BFAARN CC(=O)N1CCc2cc3nc(C)cc(C)c3cc21 ZINC000000481047 187755798 /nfs/dbraw/zinc/75/57/98/187755798.db2.gz PWJUBTOPMCVVII-UHFFFAOYSA-N 0 0 240.306 2.761 50 0 BFAARN Cc1cc(C)n2nc(SC3CCCC3)nc2n1 ZINC000004089736 352562788 /nfs/dbraw/zinc/56/27/88/352562788.db2.gz FFYSYIVJVNSDFR-UHFFFAOYSA-N 0 0 248.355 2.776 50 0 BFAARN CC1=Nc2nonc2N=C(c2ccccc2)C1 ZINC000004125164 187757314 /nfs/dbraw/zinc/75/73/14/187757314.db2.gz WFADWBYYOHZVRZ-UHFFFAOYSA-N 0 0 226.239 2.520 50 0 BFAARN CC(C)CC(=O)NCCCc1ccccc1 ZINC000005907043 187758999 /nfs/dbraw/zinc/75/89/99/187758999.db2.gz IYANTZBARFAZAN-UHFFFAOYSA-N 0 0 219.328 2.782 50 0 BFAARN CC(=O)n1cc(C)s/c1=N\C1CCCCC1 ZINC000005815905 187759236 /nfs/dbraw/zinc/75/92/36/187759236.db2.gz OMLXGWVZVGTVNT-SEYXRHQNSA-N 0 0 238.356 2.752 50 0 BFAARN O=c1oc2ccccc2n1Cc1ccccc1F ZINC000006760210 187759292 /nfs/dbraw/zinc/75/92/92/187759292.db2.gz GUSDZLBOEPABSI-UHFFFAOYSA-N 0 0 243.237 2.782 50 0 BFAARN Cc1ccc(Cl)c(N2CN=NC2=S)c1 ZINC000016970959 187761497 /nfs/dbraw/zinc/76/14/97/187761497.db2.gz CDOGLVLXNJIDCX-UHFFFAOYSA-N 0 0 225.704 2.518 50 0 BFAARN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCOC2)cc1 ZINC000020999878 187762886 /nfs/dbraw/zinc/76/28/86/187762886.db2.gz VMQPYWRGAOXHTA-CYBMUJFWSA-N 0 0 247.338 2.503 50 0 BFAARN C/C=C/C=C/C(=O)Nc1ccc(F)cc1OC ZINC000025796008 187764156 /nfs/dbraw/zinc/76/41/56/187764156.db2.gz ALHDDVUEQLOOBV-VNKDHWASSA-N 0 0 235.258 2.905 50 0 BFAARN CCOc1c(Br)cccc1C=O ZINC000048796309 187779529 /nfs/dbraw/zinc/77/95/29/187779529.db2.gz HYMCRTCUKJLPLB-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN Cc1cc(NC(=O)CCc2ccc(C)cc2)n[nH]1 ZINC000059025766 187782966 /nfs/dbraw/zinc/78/29/66/187782966.db2.gz VMKOPMKHOMACIG-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN CC(C)Cc1csc(-c2nccn2C)n1 ZINC000095462130 187800823 /nfs/dbraw/zinc/80/08/23/187800823.db2.gz WVHQSRWCTKDFIQ-UHFFFAOYSA-N 0 0 221.329 2.742 50 0 BFAARN C/C=C/C=C\C(=O)Nc1nc(C)cs1 ZINC000042037347 187804194 /nfs/dbraw/zinc/80/41/94/187804194.db2.gz HBCBDKSYQYSNBR-ICWBMWKASA-N 0 0 208.286 2.522 50 0 BFAARN CCCc1ccc(C(=O)CC2OCCO2)cc1 ZINC000085652210 187798459 /nfs/dbraw/zinc/79/84/59/187798459.db2.gz HDMMOLQXTOMNAQ-UHFFFAOYSA-N 0 0 234.295 2.585 50 0 BFAARN CC(C)COc1ncc(C(F)(F)F)cc1O ZINC000261493582 187842913 /nfs/dbraw/zinc/84/29/13/187842913.db2.gz FCVJCXJDGUUDJX-UHFFFAOYSA-N 0 0 235.205 2.841 50 0 BFAARN C=C(C)[C@H]1CC=C(C)C(=NNC(=O)OC)C1 ZINC000012668048 353037669 /nfs/dbraw/zinc/03/76/69/353037669.db2.gz IHGMFIXFDKLJGI-JTQLQIEISA-N 0 0 222.288 2.631 50 0 BFAARN CC(C)c1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000001284116 353126956 /nfs/dbraw/zinc/12/69/56/353126956.db2.gz LCEWNOJXBYPNKU-CQSZACIVSA-N 0 0 247.338 2.719 50 0 BFAARN CC(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000000407876 188096865 /nfs/dbraw/zinc/09/68/65/188096865.db2.gz NYHWEIQZVGZLRW-UHFFFAOYSA-N 0 0 246.262 2.644 50 0 biogenic BFAARN CC(=O)CSc1nc2ccccc2s1 ZINC000000127565 188098424 /nfs/dbraw/zinc/09/84/24/188098424.db2.gz YKOPAUBBWPNUKT-UHFFFAOYSA-N 0 0 223.322 2.977 50 0 BFAARN Nc1cccn2cc(-c3ccccc3)nc12 ZINC000000128611 188098686 /nfs/dbraw/zinc/09/86/86/188098686.db2.gz FVIINQSYAIPCRO-UHFFFAOYSA-N 0 0 209.252 2.584 50 0 BFAARN CC(C)=CC(=O)Oc1ccc(C(C)=O)cc1 ZINC000000149005 188098882 /nfs/dbraw/zinc/09/88/82/188098882.db2.gz JFKGXHXIWKRHPA-UHFFFAOYSA-N 0 0 218.252 2.761 50 0 BFAARN CC(C)(C)c1ccc(C(=O)NC2CC2)cc1 ZINC000000454361 188099358 /nfs/dbraw/zinc/09/93/58/188099358.db2.gz XTUAPAIXLWGBPU-UHFFFAOYSA-N 0 0 217.312 2.876 50 0 BFAARN CC(=O)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000449371 188099433 /nfs/dbraw/zinc/09/94/33/188099433.db2.gz WDKGZXXHULCYHG-UHFFFAOYSA-N 0 0 225.675 2.566 50 0 BFAARN CC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000000445265 188099985 /nfs/dbraw/zinc/09/99/85/188099985.db2.gz KXFCKYZEWABJTC-UHFFFAOYSA-N 0 0 242.200 2.644 50 0 BFAARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1N ZINC000000392138 188100039 /nfs/dbraw/zinc/10/00/39/188100039.db2.gz UIVQOUVTCNRONU-UHFFFAOYSA-N 0 0 235.718 2.784 50 0 BFAARN O=c1nc(SCc2ccccc2)s[nH]1 ZINC000002569839 188100752 /nfs/dbraw/zinc/10/07/52/188100752.db2.gz GTLZSTJXXWVOJT-UHFFFAOYSA-N 0 0 224.310 2.536 50 0 BFAARN CC(=O)Nc1ccc2c(c1)C(C)(C)[C@@H](C)N2C ZINC000003165000 188100904 /nfs/dbraw/zinc/10/09/04/188100904.db2.gz BVRISEIGABVOQV-SECBINFHSA-N 0 0 232.327 2.761 50 0 BFAARN O=C(c1ccc(-n2cccc2)cc1)N1CCCC1 ZINC000004050968 188101432 /nfs/dbraw/zinc/10/14/32/188101432.db2.gz QCYRQCGSDBQCAZ-UHFFFAOYSA-N 0 0 240.306 2.713 50 0 BFAARN CC(=C\c1ccccc1)/C=C1/SC(=N)NC1=O ZINC000003899270 188101780 /nfs/dbraw/zinc/10/17/80/188101780.db2.gz VUBYHNMINPSJTP-BIZFVBGRSA-N 0 0 244.319 2.772 50 0 BFAARN CCC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000006746102 188103384 /nfs/dbraw/zinc/10/33/84/188103384.db2.gz JHRIVUOYQODOBO-CYBMUJFWSA-N 0 0 249.310 2.593 50 0 BFAARN CC(=O)c1c(C)[nH]nc1C(F)(F)C(F)(F)F ZINC000009244117 188104045 /nfs/dbraw/zinc/10/40/45/188104045.db2.gz JPSLTTUBSIQNSA-UHFFFAOYSA-N 0 0 242.147 2.575 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)Nc1cccc2cccnc21 ZINC000012972109 188104975 /nfs/dbraw/zinc/10/49/75/188104975.db2.gz PIEGJDNAXPKJAG-KOLCDFICSA-N 0 0 226.279 2.829 50 0 BFAARN CN(C)c1cccc(C(=O)NC2CCCCC2)c1 ZINC000017357180 188107038 /nfs/dbraw/zinc/10/70/38/188107038.db2.gz AMZFTTJJLRHJIW-UHFFFAOYSA-N 0 0 246.354 2.815 50 0 BFAARN Cc1ncc(Br)cc1Cl ZINC000021993119 188109558 /nfs/dbraw/zinc/10/95/58/188109558.db2.gz ZTECWFXSVDAANY-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCC2CC2)o1 ZINC000027467282 188110579 /nfs/dbraw/zinc/11/05/79/188110579.db2.gz GZZFZYWRWCYFPS-HIGLLMRHSA-N 0 0 245.322 2.942 50 0 BFAARN C=CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000036334193 188112295 /nfs/dbraw/zinc/11/22/95/188112295.db2.gz AVBCENRBHWYZKE-UHFFFAOYSA-N 0 0 215.174 2.830 50 0 BFAARN CC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000038284380 188116505 /nfs/dbraw/zinc/11/65/05/188116505.db2.gz TZTFQNVEGWEGCC-SSDOTTSWSA-N 0 0 231.217 2.903 50 0 BFAARN C[C@H](Cc1cccs1)NC(=O)C1CCCC1 ZINC000038565713 188117191 /nfs/dbraw/zinc/11/71/91/188117191.db2.gz ROGAGEIDSAECAI-SNVBAGLBSA-N 0 0 237.368 2.986 50 0 BFAARN Brc1nc(C2CC2)cs1 ZINC000040845013 188118556 /nfs/dbraw/zinc/11/85/56/188118556.db2.gz KSFCLCADEPTWLI-UHFFFAOYSA-N 0 0 204.092 2.783 50 0 BFAARN CC(C)(C)OC(=O)n1ccc2cc(CO)ccc21 ZINC000040442659 188118577 /nfs/dbraw/zinc/11/85/77/188118577.db2.gz XIMLBZMOOXHPJQ-UHFFFAOYSA-N 0 0 247.294 2.917 50 0 BFAARN CC(C)(C)OC(=O)n1ccc2cccnc21 ZINC000014984929 188105910 /nfs/dbraw/zinc/10/59/10/188105910.db2.gz SGZMGGUBXZBVPJ-UHFFFAOYSA-N 0 0 218.256 2.820 50 0 BFAARN CC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000013331538 188106442 /nfs/dbraw/zinc/10/64/42/188106442.db2.gz ZSSJNSCNNBHHQV-UHFFFAOYSA-N 0 0 220.659 2.728 50 0 BFAARN Cc1ccc(C(=O)c2ccc(F)cc2)cn1 ZINC000045029062 188123564 /nfs/dbraw/zinc/12/35/64/188123564.db2.gz PYMGCLMNBUCGOI-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN Cc1ccc(C(=O)c2cccc(F)c2F)nc1 ZINC000045028564 188123784 /nfs/dbraw/zinc/12/37/84/188123784.db2.gz PHFDMYPZPSBZGF-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1ccnc(C(=O)c2ccccc2F)c1 ZINC000045028597 188124019 /nfs/dbraw/zinc/12/40/19/188124019.db2.gz MUPVSDVXKZDWTB-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN Cc1ccc(OCCN(C)C(=O)C2CCC2)cc1 ZINC000052632565 188126518 /nfs/dbraw/zinc/12/65/18/188126518.db2.gz KKNAIVSFGFJQRR-UHFFFAOYSA-N 0 0 247.338 2.632 50 0 BFAARN CC(=O)Nc1ccc2nc(C(C)C)oc2c1 ZINC000064555418 188128952 /nfs/dbraw/zinc/12/89/52/188128952.db2.gz WSIJFDCINSAILI-UHFFFAOYSA-N 0 0 218.256 2.910 50 0 BFAARN OCc1ccnc(-c2cccc3cnccc32)c1 ZINC000065534736 188129450 /nfs/dbraw/zinc/12/94/50/188129450.db2.gz YMNKTUFCCAGWPT-UHFFFAOYSA-N 0 0 236.274 2.789 50 0 BFAARN CC(C)(C)OC(=O)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000064038043 188129888 /nfs/dbraw/zinc/12/98/88/188129888.db2.gz BQRMVHVRBBRSOH-QWRGUYRKSA-N 0 0 223.316 2.820 50 0 BFAARN CC(C)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000334358469 188130514 /nfs/dbraw/zinc/13/05/14/188130514.db2.gz SRPWHWUYPFPSKE-SECBINFHSA-N 0 0 219.275 2.679 50 0 BFAARN COC(=O)[C@H](c1ccccc1O)C1CCCC1 ZINC000072482069 188131530 /nfs/dbraw/zinc/13/15/30/188131530.db2.gz FAGDYKOFDODHHZ-ZDUSSCGKSA-N 0 0 234.295 2.839 50 0 BFAARN CC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000081287813 188137473 /nfs/dbraw/zinc/13/74/73/188137473.db2.gz SMAMNTIBAIINGS-LBPRGKRZSA-N 0 0 235.352 2.647 50 0 BFAARN FC(F)(F)[C@H]1NCCc2c3ccccc3[nH]c21 ZINC000020223825 180891581 /nfs/dbraw/zinc/89/15/81/180891581.db2.gz MTJHHRXTCMKWEC-NSHDSACASA-N 0 0 240.228 2.917 50 0 BFAARN CC1(C)Cc2c3ccccc3ccc2C(=O)N1 ZINC000000189898 188156086 /nfs/dbraw/zinc/15/60/86/188156086.db2.gz YARODWJTFQXXIT-UHFFFAOYSA-N 0 0 225.291 2.904 50 0 BFAARN CCCCc1n[nH]c2c1C(=O)CC(C)(C)C2 ZINC000004042649 188156922 /nfs/dbraw/zinc/15/69/22/188156922.db2.gz IGTHKFCZGHNVHS-UHFFFAOYSA-N 0 0 220.316 2.907 50 0 BFAARN CC1(C)C[C@](C)(O)P(c2ccccc2)O1 ZINC000003201296 188157289 /nfs/dbraw/zinc/15/72/89/188157289.db2.gz NCCPRLWZBKOENA-KEKZHRQWSA-N 0 0 224.240 2.616 50 0 BFAARN FC(F)(F)c1cccnc1NC[C@@H]1CCCO1 ZINC000021034155 180896179 /nfs/dbraw/zinc/89/61/79/180896179.db2.gz WJJRPGSADQFLAJ-QMMMGPOBSA-N 0 0 246.232 2.691 50 0 BFAARN CC(C)Cc1nc2nccc(-c3ccco3)n2n1 ZINC000096345309 188147930 /nfs/dbraw/zinc/14/79/30/188147930.db2.gz VFHLABPCSJOKHE-UHFFFAOYSA-N 0 0 242.282 2.583 50 0 BFAARN CC(C)N(C(=O)[C@H]1C[C@H]1c1cccnc1)C1CC1 ZINC000095957236 188148242 /nfs/dbraw/zinc/14/82/42/188148242.db2.gz GBCHQCSAPQYIKD-KBPBESRZSA-N 0 0 244.338 2.585 50 0 BFAARN Fc1ccccc1-c1cn2c(n1)NCCC2 ZINC000084009458 538112792 /nfs/dbraw/zinc/11/27/92/538112792.db2.gz VVRRFXZVWRBCCP-UHFFFAOYSA-N 0 0 217.247 2.505 50 0 BFAARN CC(C)=CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000022927328 188177778 /nfs/dbraw/zinc/17/77/78/188177778.db2.gz ZUURLOVUZQVTME-UHFFFAOYSA-N 0 0 232.283 2.550 50 0 BFAARN FC1(F)Oc2cccc(Br)c2O1 ZINC000002574995 180920359 /nfs/dbraw/zinc/92/03/59/180920359.db2.gz LSZYHXNOLVSZHH-UHFFFAOYSA-N 0 0 236.999 2.771 50 0 BFAARN Cc1cc(C)cc(N2CC(C)(C)C2=O)c1 ZINC000001387676 353335287 /nfs/dbraw/zinc/33/52/87/353335287.db2.gz JQHTWZITHBVUKB-UHFFFAOYSA-N 0 0 203.285 2.676 50 0 BFAARN Cc1cc(=O)n(C(C)C)c2ccccc12 ZINC000001394026 353360408 /nfs/dbraw/zinc/36/04/08/353360408.db2.gz XRJJZRPSPDYAAR-UHFFFAOYSA-N 0 0 201.269 2.891 50 0 BFAARN Cc1ccccc1CC1CN(C(=O)C2CCC2)C1 ZINC000085479716 538116989 /nfs/dbraw/zinc/11/69/89/538116989.db2.gz MDZYUGTXNGUPDK-UHFFFAOYSA-N 0 0 243.350 2.796 50 0 BFAARN Fc1ccc(CSc2ncccn2)cc1 ZINC000000469880 180971447 /nfs/dbraw/zinc/97/14/47/180971447.db2.gz DBYUBQLTSQPTNM-UHFFFAOYSA-N 0 0 220.272 2.908 50 0 BFAARN CCSc1n[nH]c(-c2ccccc2OC)n1 ZINC000006702924 353603364 /nfs/dbraw/zinc/60/33/64/353603364.db2.gz GCKUVUDIHGHBJA-UHFFFAOYSA-N 0 0 235.312 2.592 50 0 BFAARN CC(=O)c1ccc(Br)c(C)c1 ZINC000001598662 188454641 /nfs/dbraw/zinc/45/46/41/188454641.db2.gz QRTFRIPKQPOIPI-UHFFFAOYSA-N 0 0 213.074 2.960 50 0 BFAARN Cc1cc(C)cc(NC(=O)C(F)(F)F)c1 ZINC000003094871 188455680 /nfs/dbraw/zinc/45/56/80/188455680.db2.gz MWOCTDLHKWELSM-UHFFFAOYSA-N 0 0 217.190 2.804 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000003294715 188456622 /nfs/dbraw/zinc/45/66/22/188456622.db2.gz VJWYILXDIGYAIS-SFYZADRCSA-N 0 0 236.340 2.616 50 0 BFAARN CC(C)c1ccccc1NC(=O)C1=COCCO1 ZINC000023623337 188464802 /nfs/dbraw/zinc/46/48/02/188464802.db2.gz RPZLJNVSGXPPLU-UHFFFAOYSA-N 0 0 247.294 2.637 50 0 BFAARN COc1ccc(C(=O)N(C)C2CCCC2)cc1 ZINC000030751728 188465422 /nfs/dbraw/zinc/46/54/22/188465422.db2.gz NPKDTCVBGXXHRU-UHFFFAOYSA-N 0 0 233.311 2.710 50 0 BFAARN CC(C)(C)[C@@]1(O)CC(c2ccccc2)=NO1 ZINC000000267471 188453023 /nfs/dbraw/zinc/45/30/23/188453023.db2.gz LGBJDIDPIXMVAU-CYBMUJFWSA-N 0 0 219.284 2.546 50 0 BFAARN CC(C)=CCS(=O)(=O)c1ccc(C)cc1 ZINC000000356668 188453651 /nfs/dbraw/zinc/45/36/51/188453651.db2.gz JSVDFYYBKNPBRK-UHFFFAOYSA-N 0 0 224.325 2.735 50 0 BFAARN Fc1cccc(Cl)c1CSc1nc[nH]n1 ZINC000007603769 180999208 /nfs/dbraw/zinc/99/92/08/180999208.db2.gz VYZIHMSACFAIAI-UHFFFAOYSA-N 0 0 243.694 2.890 50 0 BFAARN C[C@H]1C[C@@H]1c1cc(N)n(-c2ccccc2)n1 ZINC000036938403 188467775 /nfs/dbraw/zinc/46/77/75/188467775.db2.gz ZWVAZCFZYJSBEE-ONGXEEELSA-N 0 0 213.284 2.578 50 0 BFAARN Fc1ccccc1CNc1ccccn1 ZINC000019772612 181013186 /nfs/dbraw/zinc/01/31/86/181013186.db2.gz VWKIZQAFPKDJDQ-UHFFFAOYSA-N 0 0 202.232 2.833 50 0 BFAARN Fc1ccccc1COc1ccccn1 ZINC000004663237 181013301 /nfs/dbraw/zinc/01/33/01/181013301.db2.gz VWAVLCSTMVFNLC-UHFFFAOYSA-N 0 0 203.216 2.800 50 0 BFAARN Fc1ccccc1NCc1cncs1 ZINC000054770024 181014063 /nfs/dbraw/zinc/01/40/63/181014063.db2.gz FKZHDXMGNNHXDQ-UHFFFAOYSA-N 0 0 208.261 2.894 50 0 BFAARN CC(C)n1cc(NC(=O)c2ccc(F)cc2)cn1 ZINC000001428557 353739103 /nfs/dbraw/zinc/73/91/03/353739103.db2.gz PVFMDMBGJTVFOU-UHFFFAOYSA-N 0 0 247.273 2.855 50 0 BFAARN Fc1ccccc1-c1nsc(Cl)n1 ZINC000044154602 181010367 /nfs/dbraw/zinc/01/03/67/181010367.db2.gz MQGCJHPDDMPIMW-UHFFFAOYSA-N 0 0 214.652 2.998 50 0 BFAARN CC(C)=CCC(C)(C)[C@H]1OCCN1C(C)=O ZINC000000518396 188513780 /nfs/dbraw/zinc/51/37/80/188513780.db2.gz HJGQZOKFMCPBEJ-GFCCVEGCSA-N 0 0 225.332 2.574 50 0 biogenic BFAARN Fc1cnc2c(Br)ccnc2c1 ZINC000147641093 181019827 /nfs/dbraw/zinc/01/98/27/181019827.db2.gz QNHBMLLXIUAMIV-UHFFFAOYSA-N 0 0 227.036 2.531 50 0 BFAARN Fc1nc(OCC2CC2)ccc1Cl ZINC000261494294 181021484 /nfs/dbraw/zinc/02/14/84/181021484.db2.gz UKZFYXYSWNEJFW-UHFFFAOYSA-N 0 0 201.628 2.663 50 0 BFAARN CC(=O)Nc1cc(-c2ccccc2Cl)[nH]n1 ZINC000012379582 188523008 /nfs/dbraw/zinc/52/30/08/188523008.db2.gz BUJKLCLBDOXJSA-UHFFFAOYSA-N 0 0 235.674 2.689 50 0 BFAARN CC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000334528656 353903949 /nfs/dbraw/zinc/90/39/49/353903949.db2.gz RAVDDGOMXPUYDU-IUCAKERBSA-N 0 0 223.238 2.634 50 0 BFAARN N#CN(Cc1ccccc1)c1ccccn1 ZINC000034616952 181052864 /nfs/dbraw/zinc/05/28/64/181052864.db2.gz XCPMZMUTHQUPSF-UHFFFAOYSA-N 0 0 209.252 2.569 50 0 BFAARN CC[C@H]1CCCCN1C(=O)c1cccc(C)n1 ZINC000032909042 354596351 /nfs/dbraw/zinc/59/63/51/354596351.db2.gz KWIFMOGKEQAIAT-LBPRGKRZSA-N 0 0 232.327 2.795 50 0 BFAARN CC[C@@H](C)C(=O)N1Cc2cccc(F)c2C1 ZINC000335129920 354776617 /nfs/dbraw/zinc/77/66/17/354776617.db2.gz HUCKFSZLZZGYJY-SECBINFHSA-N 0 0 221.275 2.714 50 0 BFAARN CCCCC[C@H](C)NC(=O)NCCC ZINC000057580927 168742679 /nfs/dbraw/zinc/74/26/79/168742679.db2.gz YLFNTOSQULNSBW-JTQLQIEISA-N 0 0 200.326 2.664 50 0 BFAARN N=c1sc2c(n1Cc1ccccc1)CCCC2 ZINC000004164106 181211467 /nfs/dbraw/zinc/21/14/67/181211467.db2.gz TVVGMYAKARPYAQ-UHFFFAOYSA-N 0 0 244.363 2.956 50 0 BFAARN ClC1(Cl)C[C@H]1Cn1nnc2ccccc21 ZINC000035144388 355854196 /nfs/dbraw/zinc/85/41/96/355854196.db2.gz QSBKMHCPCLXRAF-ZETCQYMHSA-N 0 0 242.109 2.625 50 0 BFAARN NC(=O)C1(Sc2ccccc2)CCCC1 ZINC000033878729 181214887 /nfs/dbraw/zinc/21/48/87/181214887.db2.gz BLIITTHNXRSDLD-UHFFFAOYSA-N 0 0 221.325 2.577 50 0 BFAARN COCc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000049079378 355893731 /nfs/dbraw/zinc/89/37/31/355893731.db2.gz KHIJLTZWRBLWPD-UHFFFAOYSA-N 0 0 249.291 2.685 50 0 BFAARN Cc1nc(C(=O)Nc2ccc(C)cc2C)co1 ZINC000022606328 355943310 /nfs/dbraw/zinc/94/33/10/355943310.db2.gz KIYHKVGZDYZXFT-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN Cc1nc(C(=O)Nc2cc(C)cc(C)c2)co1 ZINC000022606337 355943811 /nfs/dbraw/zinc/94/38/11/355943811.db2.gz HXFZQYFZEHEMLF-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN NC(=O)Nc1cccc(Cl)c1Br ZINC000225618676 181262686 /nfs/dbraw/zinc/26/26/86/181262686.db2.gz LODLFJMKWADKQN-UHFFFAOYSA-N 0 0 249.495 2.593 50 0 BFAARN O=C1CC(c2ccccc2)=Nc2cccnc2N1 ZINC000015828584 356324823 /nfs/dbraw/zinc/32/48/23/356324823.db2.gz QCIGLOLCBMSGIH-UHFFFAOYSA-N 0 0 237.262 2.545 50 0 BFAARN Cc1ccc2c(c1C)OC(C)(C)C[C@H]2O ZINC000011568142 356367940 /nfs/dbraw/zinc/36/79/40/356367940.db2.gz WPINEGROAATYJN-LLVKDONJSA-N 0 0 206.285 2.898 50 0 BFAARN Cc1csc(NC(=O)c2ccc(F)cc2)n1 ZINC000000253234 356357243 /nfs/dbraw/zinc/35/72/43/356357243.db2.gz XRCDNIAFDHUUGG-UHFFFAOYSA-N 0 0 236.271 2.843 50 0 BFAARN CC1(C)[C@H]2CCCC(=O)[C@]2(C)CC[C@@H]1O ZINC000005482343 356363375 /nfs/dbraw/zinc/36/33/75/356363375.db2.gz AHDYLRWAUNFSSU-GBIKHYSHSA-N 0 0 210.317 2.543 50 0 BFAARN C[C@H](CCO)c1cn(C)c2ccccc12 ZINC000002548281 356366617 /nfs/dbraw/zinc/36/66/17/356366617.db2.gz WHQZINALYHALBY-SNVBAGLBSA-N 0 0 203.285 2.664 50 0 BFAARN O=C1CC[C@@H]2[C@H]1C=CC21SCCCS1 ZINC000045072267 356372634 /nfs/dbraw/zinc/37/26/34/356372634.db2.gz VLGFSYYRLIRPBV-RKDXNWHRSA-N 0 0 226.366 2.718 50 0 BFAARN O=C(C=C1CCC1)OCc1ccccc1 ZINC000087023568 356374508 /nfs/dbraw/zinc/37/45/08/356374508.db2.gz NTWLXCGYGJIZMP-UHFFFAOYSA-N 0 0 202.253 2.840 50 0 BFAARN NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000068719922 181273398 /nfs/dbraw/zinc/27/33/98/181273398.db2.gz QQDVXAGMYJRYEN-NKWVEPMBSA-N 0 0 230.094 2.582 50 0 BFAARN CC1=CC(C)(C)N2COC(=O)c3cc(F)cc1c32 ZINC000618256493 356470790 /nfs/dbraw/zinc/47/07/90/356470790.db2.gz JERYNFSESBTBSG-UHFFFAOYSA-N 0 0 247.269 2.956 50 0 BFAARN NC(=O)c1c(Cl)nsc1-c1ccccc1 ZINC000000067756 181286092 /nfs/dbraw/zinc/28/60/92/181286092.db2.gz RCHYXCIEWHPBJW-UHFFFAOYSA-N 0 0 238.699 2.562 50 0 BFAARN CC(C)=C(F)c1nc(-c2cncs2)no1 ZINC000336180114 134118806 /nfs/dbraw/zinc/11/88/06/134118806.db2.gz WCUJCEHHVWLIHH-UHFFFAOYSA-N 0 0 225.248 2.914 50 0 BFAARN CCC(=O)N1C[C@H](C)Oc2ccc(C)cc21 ZINC000064554699 535317396 /nfs/dbraw/zinc/31/73/96/535317396.db2.gz NARUTXLWWZFSRB-JTQLQIEISA-N 0 0 219.284 2.519 50 0 BFAARN Cc1occc1C(=O)NCc1ccc(C)c(F)c1 ZINC000012851116 363485087 /nfs/dbraw/zinc/48/50/87/363485087.db2.gz QXYCBIGGQXVSMV-UHFFFAOYSA-N 0 0 247.269 2.966 50 0 BFAARN CC(=O)c1cc(F)cc(OC(F)(F)F)c1 ZINC000091252006 166446292 /nfs/dbraw/zinc/44/62/92/166446292.db2.gz VOBVUHOUGRWDOZ-UHFFFAOYSA-N 0 0 222.137 2.927 50 0 BFAARN CC[C@@H](C)NC(=O)Cc1c(F)cccc1Cl ZINC000012928230 356627431 /nfs/dbraw/zinc/62/74/31/356627431.db2.gz NEKZULCRENTHRJ-MRVPVSSYSA-N 0 0 243.709 2.936 50 0 BFAARN CC(=O)[C@H]1COc2cc(C)c(Cl)cc2C1 ZINC000675063471 538490155 /nfs/dbraw/zinc/49/01/55/538490155.db2.gz FVHDXPLTJWRRMU-SNVBAGLBSA-N 0 0 224.687 2.789 50 0 BFAARN CCCC(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000041306498 535341253 /nfs/dbraw/zinc/34/12/53/535341253.db2.gz ZPSIFQFZKXZOFG-SNVBAGLBSA-N 0 0 219.284 2.601 50 0 BFAARN Cc1cccc(CC2CN(C(=O)[C@H]3C[C@@H]3C)C2)c1 ZINC000085459277 538541311 /nfs/dbraw/zinc/54/13/11/538541311.db2.gz GGBNKMZXCMEOPA-WFASDCNBSA-N 0 0 243.350 2.652 50 0 BFAARN O=C(C1CCCCCCC1)N1CCCC1 ZINC000086580470 538557174 /nfs/dbraw/zinc/55/71/74/538557174.db2.gz JPXQYUSOUJWTIX-UHFFFAOYSA-N 0 0 209.333 2.969 50 0 BFAARN C1CC1c1noc(N2CC[C@H]3CCCC[C@@H]32)n1 ZINC000089818732 538584671 /nfs/dbraw/zinc/58/46/71/538584671.db2.gz NPCVOFCJMBTDJU-KOLCDFICSA-N 0 0 233.315 2.716 50 0 BFAARN C1CC1c1noc(N2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000089818728 538584844 /nfs/dbraw/zinc/58/48/44/538584844.db2.gz NPCVOFCJMBTDJU-ONGXEEELSA-N 0 0 233.315 2.716 50 0 BFAARN O=C1N[C@H]2CCCN2c2c3ccccc3sc21 ZINC000089872958 538584897 /nfs/dbraw/zinc/58/48/97/538584897.db2.gz CWFRVRTYSVMVLI-SNVBAGLBSA-N 0 0 244.319 2.571 50 0 BFAARN CC1(C)CCCN(C(=O)C2CC=CC2)CC1 ZINC000089919331 538585812 /nfs/dbraw/zinc/58/58/12/538585812.db2.gz TWOVYFXYKAVREU-UHFFFAOYSA-N 0 0 221.344 2.991 50 0 BFAARN CC(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 ZINC000095403707 538607235 /nfs/dbraw/zinc/60/72/35/538607235.db2.gz WOYWMMNCJIRIIL-GFCCVEGCSA-N 0 0 225.238 2.552 50 0 BFAARN Cc1cccc(OC(=O)c2cnc(C)nc2C)c1 ZINC000095990365 538613597 /nfs/dbraw/zinc/61/35/97/538613597.db2.gz NAXVQDOJCPHYAG-UHFFFAOYSA-N 0 0 242.278 2.621 50 0 BFAARN CC[C@H](C(=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096963675 538616760 /nfs/dbraw/zinc/61/67/60/538616760.db2.gz LEKMNFWFDOYZRS-KGLIPLIRSA-N 0 0 247.338 2.619 50 0 BFAARN NC(=O)c1cc(Cl)cc(-c2ccccc2)c1O ZINC000071773045 181288976 /nfs/dbraw/zinc/28/89/76/181288976.db2.gz VBBUWESMWAYRTO-UHFFFAOYSA-N 0 0 247.681 2.812 50 0 BFAARN CCOc1cc2c(cc1NC(=O)CC)O[C@@H](C)C2 ZINC000012953253 356849645 /nfs/dbraw/zinc/84/96/45/356849645.db2.gz SOSTVNDFNFLJMN-VIFPVBQESA-N 0 0 249.310 2.757 50 0 BFAARN c1ccc2c(c1)cccc2-n1nnc2cnccc21 ZINC000075279735 356938491 /nfs/dbraw/zinc/93/84/91/356938491.db2.gz YCQFMPUVLHGSCL-UHFFFAOYSA-N 0 0 246.273 2.969 50 0 BFAARN C=C1c2ccccc2NC(=O)N1C(C)C ZINC000012863198 538776657 /nfs/dbraw/zinc/77/66/57/538776657.db2.gz CAGVNWKNKTXQKC-UHFFFAOYSA-N 0 0 202.257 2.913 50 0 BFAARN Cc1nn(C)c2c1nc(-c1ccco1)nc2Cl ZINC000026468465 357137838 /nfs/dbraw/zinc/13/78/38/357137838.db2.gz SFTBUNHZJJTAHW-UHFFFAOYSA-N 0 0 248.673 2.585 50 0 BFAARN COC(=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000053712885 357157354 /nfs/dbraw/zinc/15/73/54/357157354.db2.gz ZGNWEBJIWYNENA-ZETCQYMHSA-N 0 0 232.201 2.982 50 0 BFAARN O=C(CCCn1cccc1)NCc1cccs1 ZINC000049030970 358062296 /nfs/dbraw/zinc/06/22/96/358062296.db2.gz IJVFUVWSJZIKII-UHFFFAOYSA-N 0 0 248.351 2.646 50 0 BFAARN O=C(Oc1ccccc1)c1onc2c1CCCC2 ZINC000075273666 358099740 /nfs/dbraw/zinc/09/97/40/358099740.db2.gz DZOLINAMYYLQER-UHFFFAOYSA-N 0 0 243.262 2.773 50 0 BFAARN c1ccc2cc3c(cc2c1)nnn3-c1ccncc1 ZINC000075287069 358100031 /nfs/dbraw/zinc/10/00/31/358100031.db2.gz GWJXWTAFJFHABP-UHFFFAOYSA-N 0 0 246.273 2.969 50 0 BFAARN CCc1cnc([C@@H](C)Nc2ncccn2)s1 ZINC000096455829 358146370 /nfs/dbraw/zinc/14/63/70/358146370.db2.gz HNJCYNCXJWTARX-MRVPVSSYSA-N 0 0 234.328 2.669 50 0 BFAARN NC(=O)c1ccc(COc2ccccc2F)cc1 ZINC000012948770 181296269 /nfs/dbraw/zinc/29/62/69/181296269.db2.gz YBWVJDYBEUMQFQ-UHFFFAOYSA-N 0 0 245.253 2.504 50 0 BFAARN CC(C)C1=C[C@H]2[C@@H](CC[C@]2(C)O)[C@](C)(O)CC1 ZINC000026832397 359010466 /nfs/dbraw/zinc/01/04/66/359010466.db2.gz IWQURBSTAIRNAE-BARDWOONSA-N 0 0 238.371 2.891 50 0 biogenic,in-vitro BFAARN C[C@@H](N[C@@H]1CCCc2occc21)c1nccn1C ZINC000070443743 359054915 /nfs/dbraw/zinc/05/49/15/359054915.db2.gz AEVWHCSRGYFHTI-ZYHUDNBSSA-N 0 0 245.326 2.741 50 0 BFAARN Cc1cnn(Cc2cc(-c3ccccc3)no2)c1 ZINC000076062603 359272555 /nfs/dbraw/zinc/27/25/55/359272555.db2.gz JYBMZKMQODJGDC-UHFFFAOYSA-N 0 0 239.278 2.895 50 0 BFAARN Cc1ccc(CC(=O)N2CCC[C@H](C)C2)cc1 ZINC000006478891 359347663 /nfs/dbraw/zinc/34/76/63/359347663.db2.gz LZCRPEINWQFTNV-ZDUSSCGKSA-N 0 0 231.339 2.796 50 0 BFAARN c1ccc(COc2ccc3nccnc3n2)cc1 ZINC000521398227 359701330 /nfs/dbraw/zinc/70/13/30/359701330.db2.gz NAEKBVLNLNDGQR-UHFFFAOYSA-N 0 0 237.262 2.604 50 0 BFAARN CCCC[C@@H]1CCC[C@H]1NC(=O)NCC ZINC000069721585 360028590 /nfs/dbraw/zinc/02/85/90/360028590.db2.gz WGMJPGNUFBEONY-GHMZBOCLSA-N 0 0 212.337 2.664 50 0 BFAARN Cn1c2ccc(N)cc2nc1-c1cccs1 ZINC000004543033 360472558 /nfs/dbraw/zinc/47/25/58/360472558.db2.gz SERGHFHMIXGRGQ-UHFFFAOYSA-N 0 0 229.308 2.884 50 0 BFAARN COC[C@@H](O)CSCc1ccc(Cl)cc1 ZINC000004947873 360480940 /nfs/dbraw/zinc/48/09/40/360480940.db2.gz FEMPDDWTLZNMQF-LLVKDONJSA-N 0 0 246.759 2.581 50 0 BFAARN O=C1CCSc2cc(Cl)ccc2N1 ZINC000034160140 360456011 /nfs/dbraw/zinc/45/60/11/360456011.db2.gz WYWKPNIAGOEYTD-UHFFFAOYSA-N 0 0 213.689 2.774 50 0 BFAARN CC[C@]1(C)Oc2ccc(NC(=O)C3CC3)cc2O1 ZINC000002492603 360529053 /nfs/dbraw/zinc/52/90/53/360529053.db2.gz XAWHQGWMYDKCIO-CQSZACIVSA-N 0 0 247.294 2.933 50 0 BFAARN CCCc1cnc(-c2ccccc2CO)nc1 ZINC000067974012 219826877 /nfs/dbraw/zinc/82/68/77/219826877.db2.gz QTZYRHKEBQTTMW-UHFFFAOYSA-N 0 0 228.295 2.588 50 0 BFAARN CCCC(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000006699584 360606657 /nfs/dbraw/zinc/60/66/57/360606657.db2.gz BYRQUCGLELHWHG-JTQLQIEISA-N 0 0 221.300 2.673 50 0 BFAARN O=C(CCc1ccco1)NCCc1ccccc1 ZINC000036140207 360658750 /nfs/dbraw/zinc/65/87/50/360658750.db2.gz WZSVCAJSDLUKCR-UHFFFAOYSA-N 0 0 243.306 2.571 50 0 BFAARN NC(=O)c1cncc(-c2ccc(Cl)s2)c1 ZINC000032513810 181308491 /nfs/dbraw/zinc/30/84/91/181308491.db2.gz XUBUDDWLWMGWPE-UHFFFAOYSA-N 0 0 238.699 2.562 50 0 BFAARN Cc1ccc(NC(=O)C2CCCCC2)nc1 ZINC000006755400 360737081 /nfs/dbraw/zinc/73/70/81/360737081.db2.gz FEKRKQQSLOBGIF-UHFFFAOYSA-N 0 0 218.300 2.909 50 0 BFAARN NC(=O)c1sc2cccc(F)c2c1Cl ZINC000016602847 181313687 /nfs/dbraw/zinc/31/36/87/181313687.db2.gz SWUWQFFRYZKOSK-UHFFFAOYSA-N 0 0 229.663 2.793 50 0 BFAARN C[C@@H](NCc1nccn1C)c1cccc(Cl)c1 ZINC000037978979 360878997 /nfs/dbraw/zinc/87/89/97/360878997.db2.gz CQLHLFFFQAURSP-SNVBAGLBSA-N 0 0 249.745 2.924 50 0 BFAARN NC(=S)Cc1nc(-c2ccccc2)cs1 ZINC000004126338 181317204 /nfs/dbraw/zinc/31/72/04/181317204.db2.gz SSYYFONFBSKVFR-UHFFFAOYSA-N 0 0 234.349 2.639 50 0 BFAARN NC(=S)c1c(Cl)cccc1Cl ZINC000000900732 181320254 /nfs/dbraw/zinc/32/02/54/181320254.db2.gz KGKGSIUWJCAFPX-UHFFFAOYSA-N 0 0 206.097 2.628 50 0 in-vitro BFAARN Fc1ccc(NN=Cc2ccncc2)c(F)c1 ZINC000013136974 361239134 /nfs/dbraw/zinc/23/91/34/361239134.db2.gz HDDPYCLFYGFXOV-UHFFFAOYSA-N 0 0 233.221 2.806 50 0 BFAARN CCc1nc(-c2ccccc2OC(C)C)nn1C ZINC000426473722 200987967 /nfs/dbraw/zinc/98/79/67/200987967.db2.gz XCWJIDYHYSYBNZ-UHFFFAOYSA-N 0 0 245.326 2.832 50 0 BFAARN CNc1cc(C)nc(C=CC2CCCCC2)n1 ZINC000426711303 200995596 /nfs/dbraw/zinc/99/55/96/200995596.db2.gz KJWGIJDEACPPQL-CMDGGOBGSA-N 0 0 231.343 2.842 50 0 BFAARN N=C1Nc2ccccc2Sc2ncccc21 ZINC000019770028 181340375 /nfs/dbraw/zinc/34/03/75/181340375.db2.gz XSVYHVZKBBQCHB-UHFFFAOYSA-N 0 0 227.292 2.583 50 0 BFAARN C[C@H](Nc1ccn(C)n1)c1ccc(F)cc1F ZINC000037560519 364190652 /nfs/dbraw/zinc/19/06/52/364190652.db2.gz YCSCVQGXDYQABR-QMMMGPOBSA-N 0 0 237.253 2.871 50 0 BFAARN Cc1ccc(N[C@H]2CCCC[C@H]2O)cc1 ZINC000037691299 364531358 /nfs/dbraw/zinc/53/13/58/364531358.db2.gz JTCBCGKEWZZVIP-QWHCGFSZSA-N 0 0 205.301 2.710 50 0 BFAARN CC1(C)CN(C(=O)C2CCCC2)CCS1 ZINC000089919590 364660531 /nfs/dbraw/zinc/66/05/31/364660531.db2.gz OWAHZLRVCMQKHN-UHFFFAOYSA-N 0 0 227.373 2.531 50 0 BFAARN [NH3+]CCCCCCCCCCCC(=O)[O-] ZINC000001845814 181375022 /nfs/dbraw/zinc/37/50/22/181375022.db2.gz PBLZLIFKVPJDCO-UHFFFAOYSA-N 0 0 215.337 2.931 50 0 in-vitro BFAARN C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc(F)cc1 ZINC000012913562 541486634 /nfs/dbraw/zinc/48/66/34/541486634.db2.gz UGNNRFZFLLHTDD-AUTRQRHGSA-N 0 0 221.275 2.659 50 0 BFAARN C[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccc(F)cc1 ZINC000012913559 541486880 /nfs/dbraw/zinc/48/68/80/541486880.db2.gz UGNNRFZFLLHTDD-PTRXPTGYSA-N 0 0 221.275 2.659 50 0 BFAARN COc1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@@H]1C ZINC000032848574 541502009 /nfs/dbraw/zinc/50/20/09/541502009.db2.gz MTOJIVWCQPDXOE-GXFFZTMASA-N 0 0 245.322 2.630 50 0 BFAARN COc1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@H]1C ZINC000032848577 541502504 /nfs/dbraw/zinc/50/25/04/541502504.db2.gz MTOJIVWCQPDXOE-ZWNOBZJWSA-N 0 0 245.322 2.630 50 0 BFAARN Cc1cc(-c2ccc(Cl)s2)nc(N)n1 ZINC000001384202 367659384 /nfs/dbraw/zinc/65/93/84/367659384.db2.gz BROZZROKXQWZDI-UHFFFAOYSA-N 0 0 225.704 2.749 50 0 BFAARN O=C(c1cc2ccccc2[nH]1)N1CCCCC1 ZINC000007911351 367992608 /nfs/dbraw/zinc/99/26/08/367992608.db2.gz COUDZEQUWDSUCD-UHFFFAOYSA-N 0 0 228.295 2.794 50 0 BFAARN O=Cc1ccc(F)c(F)c1Br ZINC000143987674 368346560 /nfs/dbraw/zinc/34/65/60/368346560.db2.gz LBTJGMXVLOOKBO-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN c1ccc(-c2nnc3n2-c2ccccc2OC3)cc1 ZINC000019926412 368372753 /nfs/dbraw/zinc/37/27/53/368372753.db2.gz HETBLZBUXJOIBP-UHFFFAOYSA-N 0 0 249.273 2.827 50 0 BFAARN CC(=O)N1c2ccccc2SC1(C)C ZINC000196041965 368396666 /nfs/dbraw/zinc/39/66/66/368396666.db2.gz UUHGLCMOUFDJNT-UHFFFAOYSA-N 0 0 207.298 2.881 50 0 BFAARN Cc1nnc(-c2cccc(-c3cn[nH]c3)c2)s1 ZINC000199291525 368398209 /nfs/dbraw/zinc/39/82/09/368398209.db2.gz YRAIRNOPBHPQBZ-UHFFFAOYSA-N 0 0 242.307 2.904 50 0 BFAARN CC(=O)OC[C@@H]1CCc2cc3ccccc3n2C1 ZINC000034451493 368374858 /nfs/dbraw/zinc/37/48/58/368374858.db2.gz RFBARYYIFKYGNM-GFCCVEGCSA-N 0 0 243.306 2.767 50 0 BFAARN C[C@H]1C[C@@H](O)[C@@H](C(=O)c2ccccc2)[C@@H](C)C1 ZINC000039576619 368376344 /nfs/dbraw/zinc/37/63/44/368376344.db2.gz BTIYLNMXNFVODF-WVWOOGAGSA-N 0 0 232.323 2.912 50 0 BFAARN O=[N+]([O-])c1ccc2[nH]c(C3=CC=CC3)nc2c1 ZINC000098074345 368380849 /nfs/dbraw/zinc/38/08/49/368380849.db2.gz YNGWVUZRAFXUNM-UHFFFAOYSA-N 0 0 227.223 2.814 50 0 BFAARN C[C@H](Cl)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000101262821 368383766 /nfs/dbraw/zinc/38/37/66/368383766.db2.gz NIRDDXXHNBLIBQ-AATLWQCWSA-N 0 0 217.740 2.555 50 0 BFAARN COC(=O)C[C@H](c1cccc(O)c1)C1CCC1 ZINC000140660377 368393032 /nfs/dbraw/zinc/39/30/32/368393032.db2.gz RCMHMWBFRCPMEX-ZDUSSCGKSA-N 0 0 234.295 2.839 50 0 BFAARN COc1ccnc(NC(=O)c2sccc2C)c1 ZINC000089982360 368964192 /nfs/dbraw/zinc/96/41/92/368964192.db2.gz GRRJCHMKIJVZRD-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 BFAARN CC1(n2cnc3cccc(F)c3c2=O)CCCC1 ZINC000584887882 369036052 /nfs/dbraw/zinc/03/60/52/369036052.db2.gz CKOZMSXRZOVTSH-UHFFFAOYSA-N 0 0 246.285 2.825 50 0 BFAARN C/C=C/CC(=O)N[C@H](CC)c1cccc(C)n1 ZINC000584898532 369045414 /nfs/dbraw/zinc/04/54/14/369045414.db2.gz SMQHZCVUFVQOAS-FVOPLDGLSA-N 0 0 232.327 2.924 50 0 BFAARN CCCc1cc(=O)n(-c2ccc(Cl)cc2)[nH]1 ZINC000017879196 369060302 /nfs/dbraw/zinc/06/03/02/369060302.db2.gz SBYVTGOQJBPAIG-UHFFFAOYSA-N 0 0 236.702 2.772 50 0 BFAARN Cc1cnc(C(=O)Nc2cccc(C)c2C)cn1 ZINC000008747728 370364728 /nfs/dbraw/zinc/36/47/28/370364728.db2.gz LPLLCUWFGYWQFQ-UHFFFAOYSA-N 0 0 241.294 2.654 50 0 BFAARN CSC[C@@H](C)OC(=O)c1cccnc1Cl ZINC000079014809 371172701 /nfs/dbraw/zinc/17/27/01/371172701.db2.gz LXLTYLVUGWVYNQ-SSDOTTSWSA-N 0 0 245.731 2.643 50 0 BFAARN O=C(NCc1ccc(-c2ccoc2)cc1)C1CC1 ZINC000390828404 371237217 /nfs/dbraw/zinc/23/72/17/371237217.db2.gz AWDXZOQTPOOXLO-UHFFFAOYSA-N 0 0 241.290 2.973 50 0 BFAARN CC1=CCCN(c2nccc(C(F)(F)F)n2)C1 ZINC000390835781 371240500 /nfs/dbraw/zinc/24/05/00/371240500.db2.gz YHXIJAJVGGBQEK-UHFFFAOYSA-N 0 0 243.232 2.652 50 0 BFAARN C[C@@H](CC(=O)Nc1cccc(F)c1)n1cccn1 ZINC000020990767 371355578 /nfs/dbraw/zinc/35/55/78/371355578.db2.gz DZIPZZLXQSDRLC-JTQLQIEISA-N 0 0 247.273 2.612 50 0 BFAARN Nc1c(Cl)cc(F)cc1Br ZINC000002510120 181667266 /nfs/dbraw/zinc/66/72/66/181667266.db2.gz LIBGMUMMWYKJSC-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN CC(C)CCn1ccc(N[C@@H]2CCO[C@H]2C)n1 ZINC000095991635 371371676 /nfs/dbraw/zinc/37/16/76/371371676.db2.gz UAOVYWCJAKFTIN-NWDGAFQWSA-N 0 0 237.347 2.519 50 0 BFAARN C(CC1CC1)c1nc([C@H]2CCCCCN2)no1 ZINC000096001512 371374935 /nfs/dbraw/zinc/37/49/35/371374935.db2.gz XGVMUYVCCHWVFM-LLVKDONJSA-N 0 0 235.331 2.617 50 0 BFAARN CC[C@@H](NCc1noc(C)n1)c1cccs1 ZINC000096013851 371376438 /nfs/dbraw/zinc/37/64/38/371376438.db2.gz JUJOHRBBVVCRSU-SECBINFHSA-N 0 0 237.328 2.680 50 0 BFAARN Nc1ccc(Cl)c(C(=O)Nc2ccccn2)c1 ZINC000020194271 181708572 /nfs/dbraw/zinc/70/85/72/181708572.db2.gz KFUGTBDDJQKXBJ-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN CCn1nc(C)c2c1Oc1ccccc1C2 ZINC000096027718 371382460 /nfs/dbraw/zinc/38/24/60/371382460.db2.gz WCKSPZBHNYCZSK-UHFFFAOYSA-N 0 0 214.268 2.908 50 0 BFAARN Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000042372875 181745018 /nfs/dbraw/zinc/74/50/18/181745018.db2.gz CFPYJKPMBBHLKE-QGZVFWFLSA-N 0 0 245.347 2.718 50 0 BFAARN C[C@@H](CC1CCOCC1)Nc1cccc(CO)c1 ZINC000225602073 371560760 /nfs/dbraw/zinc/56/07/60/371560760.db2.gz OPZIJSDVSMKWFN-LBPRGKRZSA-N 0 0 249.354 2.796 50 0 BFAARN O=C(c1cc(-c2ccco2)on1)N1CCCCC1 ZINC000002602343 371609675 /nfs/dbraw/zinc/60/96/75/371609675.db2.gz LHINIDNWDADGCR-UHFFFAOYSA-N 0 0 246.266 2.561 50 0 BFAARN Cc1cc(C(=O)NC2CCCC2)c(C)o1 ZINC000002764374 371654694 /nfs/dbraw/zinc/65/46/94/371654694.db2.gz OBLOCDHOYWMTJK-UHFFFAOYSA-N 0 0 207.273 2.569 50 0 BFAARN O=c1cc(-c2ccco2)oc2ccc(O)cc12 ZINC000002888825 371695544 /nfs/dbraw/zinc/69/55/44/371695544.db2.gz CKWSEFYWNCOCGR-UHFFFAOYSA-N 0 0 228.203 2.759 50 0 BFAARN Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000008726900 181812224 /nfs/dbraw/zinc/81/22/24/181812224.db2.gz QMVHYPVHVBSJCN-UHFFFAOYSA-N 0 0 229.667 2.580 50 0 BFAARN Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000054669268 181814965 /nfs/dbraw/zinc/81/49/65/181814965.db2.gz UEVINPKTSLZDPR-SNVBAGLBSA-N 0 0 231.324 2.589 50 0 BFAARN C[C@@]12C[C@H](c3ccccc3)[C@@](C)(CC1=O)O2 ZINC000230212586 371871472 /nfs/dbraw/zinc/87/14/72/371871472.db2.gz RUDYRGFTVUSFJY-MRVWCRGKSA-N 0 0 216.280 2.681 50 0 BFAARN CCCCCCON1C(=O)c2ccccc2C1=O ZINC000003177023 371902309 /nfs/dbraw/zinc/90/23/09/371902309.db2.gz VNEXAHNNMMMMON-UHFFFAOYSA-N 0 0 247.294 2.795 50 0 BFAARN O=C(/C=C/c1c(F)cccc1Cl)NC1CC1 ZINC000005670313 181835090 /nfs/dbraw/zinc/83/50/90/181835090.db2.gz YMWVXQJCBXVRRT-VOTSOKGWSA-N 0 0 239.677 2.771 50 0 BFAARN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC1 ZINC000006094619 181848088 /nfs/dbraw/zinc/84/80/88/181848088.db2.gz JPBLTINKPAYBRJ-YVMONPNESA-N 0 0 235.714 2.976 50 0 BFAARN O=C(/C=C/c1nc2ccccc2s1)N1CCC1 ZINC000009639849 181847672 /nfs/dbraw/zinc/84/76/72/181847672.db2.gz KMYMFNBFACVGNF-VOTSOKGWSA-N 0 0 244.319 2.542 50 0 BFAARN O=C(/C=C/c1ccccc1)NCc1ccco1 ZINC000000146134 181840664 /nfs/dbraw/zinc/84/06/64/181840664.db2.gz MKJOZHINIJXWJJ-CMDGGOBGSA-N 0 0 227.263 2.609 50 0 BFAARN O=C(/C=C\c1ccccc1)N1CCSC1=S ZINC000045009380 181849041 /nfs/dbraw/zinc/84/90/41/181849041.db2.gz ICWILMQOCSTVLI-SREVYHEPSA-N 0 0 249.360 2.560 50 0 BFAARN CCCn1nccc1NC(=O)c1ccsc1 ZINC000031770274 372105901 /nfs/dbraw/zinc/10/59/01/372105901.db2.gz GESZJBNSUSAQDI-UHFFFAOYSA-N 0 0 235.312 2.607 50 0 BFAARN CCCCC[C@@H]1C[C@H](O)C=C(C)[C@@H]1C(=O)OC ZINC000003995538 372110607 /nfs/dbraw/zinc/11/06/07/372110607.db2.gz WQGFGVARUZYEFH-UPJWGTAASA-N 0 0 240.343 2.683 50 0 biogenic BFAARN O=C(C1CC1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000055531778 181862022 /nfs/dbraw/zinc/86/20/22/181862022.db2.gz RTTHNYWLUQCFHT-CYBMUJFWSA-N 0 0 233.286 2.899 50 0 BFAARN Nc1nc(C(F)(F)F)cc2ccccc12 ZINC000031597957 372085177 /nfs/dbraw/zinc/08/51/77/372085177.db2.gz RQSLDKMQAXIEDQ-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN CC1(C)CN2C(=O)c3ccccc3[C@@]2(C)S1 ZINC000004060974 372126975 /nfs/dbraw/zinc/12/69/75/372126975.db2.gz OBFUZHNNQTTYHS-CYBMUJFWSA-N 0 0 233.336 2.841 50 0 BFAARN Cc1occc1C(=O)Oc1ccc2c(c1)OCO2 ZINC000007985416 372208775 /nfs/dbraw/zinc/20/87/75/372208775.db2.gz KCJZVYAQACEQRO-UHFFFAOYSA-N 0 0 246.218 2.536 50 0 BFAARN O=C(CCCc1ccccc1)Nc1cnoc1 ZINC000075170825 181913530 /nfs/dbraw/zinc/91/35/30/181913530.db2.gz HUHAULPWUDYURK-UHFFFAOYSA-N 0 0 230.267 2.636 50 0 BFAARN O=C(CCCc1ccccc1)N1CCSCC1 ZINC000034373133 181912248 /nfs/dbraw/zinc/91/22/48/181912248.db2.gz FOSPYMVDWVSNEQ-UHFFFAOYSA-N 0 0 249.379 2.585 50 0 BFAARN COc1cc2cccnc2c(NC(=O)C2CC2)c1 ZINC000038490495 372680065 /nfs/dbraw/zinc/68/00/65/372680065.db2.gz JYFAWPJBDXZQCZ-UHFFFAOYSA-N 0 0 242.278 2.592 50 0 BFAARN CC(C)(C)NC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000038567318 372704882 /nfs/dbraw/zinc/70/48/82/372704882.db2.gz HUNQOWRGKJQJLF-CYBMUJFWSA-N 0 0 246.354 2.984 50 0 BFAARN O=C(COc1ccccc1O)c1cccs1 ZINC000000390888 182004214 /nfs/dbraw/zinc/00/42/14/182004214.db2.gz DZRBFVOTYCGWEP-UHFFFAOYSA-N 0 0 234.276 2.715 50 0 BFAARN O=C(COc1ccccc1)Nc1ccc(F)cc1 ZINC000000128326 182002967 /nfs/dbraw/zinc/00/29/67/182002967.db2.gz ZQKXCNVHGORDOJ-UHFFFAOYSA-N 0 0 245.253 2.843 50 0 BFAARN O=C(CSC1CCCC1)Nc1nccs1 ZINC000028204251 182007675 /nfs/dbraw/zinc/00/76/75/182007675.db2.gz HWFZFPAETVHPQH-UHFFFAOYSA-N 0 0 242.369 2.757 50 0 BFAARN O=C(CSc1ccccc1F)N1CCCC1 ZINC000032738711 182009388 /nfs/dbraw/zinc/00/93/88/182009388.db2.gz SVMRUIBKFSHXCV-UHFFFAOYSA-N 0 0 239.315 2.540 50 0 BFAARN O=C(CSc1ccc(F)cc1)N1CCCC1 ZINC000002845544 182009696 /nfs/dbraw/zinc/00/96/96/182009696.db2.gz BIJBEBGCDIVTHC-UHFFFAOYSA-N 0 0 239.315 2.540 50 0 BFAARN O=C(CSCc1ccco1)Nc1ccncc1 ZINC000089797885 182009742 /nfs/dbraw/zinc/00/97/42/182009742.db2.gz BVOVGNDRDPKPHL-UHFFFAOYSA-N 0 0 248.307 2.547 50 0 BFAARN O=C(CSc1ncccn1)c1ccc(F)cc1 ZINC000003233996 182010768 /nfs/dbraw/zinc/01/07/68/182010768.db2.gz IVLYFNWUPQJHSI-UHFFFAOYSA-N 0 0 248.282 2.591 50 0 BFAARN Cc1cc(=O)cc(C)n1-c1ccc(F)cc1 ZINC000008793986 372901119 /nfs/dbraw/zinc/90/11/19/372901119.db2.gz KXFOWIWQLFMDSI-UHFFFAOYSA-N 0 0 217.243 2.593 50 0 BFAARN O=C(C[C@@H]1C=CCC1)NCc1ccccc1F ZINC000039978464 182013502 /nfs/dbraw/zinc/01/35/02/182013502.db2.gz BGNDYMOHHFIBBM-LLVKDONJSA-N 0 0 233.286 2.798 50 0 BFAARN O=C(C[C@H]1C=CCC1)NCc1cccc(F)c1 ZINC000040498518 182024788 /nfs/dbraw/zinc/02/47/88/182024788.db2.gz AKSAALJGBRMXNX-NSHDSACASA-N 0 0 233.286 2.798 50 0 BFAARN O=C(Cc1c(F)cccc1Cl)N1CCCC1 ZINC000000614953 182033240 /nfs/dbraw/zinc/03/32/40/182033240.db2.gz BPHRJUBBFCXQJH-UHFFFAOYSA-N 0 0 241.693 2.644 50 0 BFAARN O=C(Cc1ccc(Cl)c(Cl)c1)NC1CC1 ZINC000003565447 182033923 /nfs/dbraw/zinc/03/39/23/182033923.db2.gz TYDASEKCKLMVDW-UHFFFAOYSA-N 0 0 244.121 2.815 50 0 BFAARN O=C(Cc1ccc(Cl)cc1)Nc1ccncc1 ZINC000000280817 182035668 /nfs/dbraw/zinc/03/56/68/182035668.db2.gz BZLJQQFQEUQGGW-UHFFFAOYSA-N 0 0 246.697 2.916 50 0 BFAARN O=C(Cc1ccc(Cl)cc1)Nc1ccon1 ZINC000020457661 182035830 /nfs/dbraw/zinc/03/58/30/182035830.db2.gz XUJOQDCCBULEHL-UHFFFAOYSA-N 0 0 236.658 2.509 50 0 BFAARN O=C(Cc1ccc(O)cc1)Nc1ccc(F)cc1 ZINC000000169265 182038234 /nfs/dbraw/zinc/03/82/34/182038234.db2.gz NPQFAGAPBOEXHZ-UHFFFAOYSA-N 0 0 245.253 2.713 50 0 BFAARN O=C(Cc1ccccc1F)NCc1cccs1 ZINC000001055096 182045058 /nfs/dbraw/zinc/04/50/58/182045058.db2.gz GOEXQEPSOOZRTE-UHFFFAOYSA-N 0 0 249.310 2.746 50 0 BFAARN O=C(Cc1ccccc1Cl)Nc1cnoc1 ZINC000075170845 182045153 /nfs/dbraw/zinc/04/51/53/182045153.db2.gz BTSQOVDFQSYBRA-UHFFFAOYSA-N 0 0 236.658 2.509 50 0 BFAARN O=C(Cc1ccccc1Cl)Nc1ccon1 ZINC000020494925 182045630 /nfs/dbraw/zinc/04/56/30/182045630.db2.gz ZYXIZXJGULJDFR-UHFFFAOYSA-N 0 0 236.658 2.509 50 0 BFAARN O=C(Cc1ccncc1)c1cccs1 ZINC000013568793 182055675 /nfs/dbraw/zinc/05/56/75/182055675.db2.gz FCLIXCKZIJZCEL-UHFFFAOYSA-N 0 0 203.266 2.569 50 0 BFAARN O=C(Cc1ccsc1)NCc1ccccc1F ZINC000006610656 182058568 /nfs/dbraw/zinc/05/85/68/182058568.db2.gz WMSMSBUEUGEGQN-UHFFFAOYSA-N 0 0 249.310 2.746 50 0 BFAARN Cc1cnc(C(=O)Oc2c(C)cccc2C)cn1 ZINC000009048800 373166829 /nfs/dbraw/zinc/16/68/29/373166829.db2.gz DKZGGJLCDMGJBW-UHFFFAOYSA-N 0 0 242.278 2.621 50 0 BFAARN O[C@H](c1ccc(Cl)s1)C(F)(F)F ZINC000040257574 373136081 /nfs/dbraw/zinc/13/60/81/373136081.db2.gz JUGNSURGNNBXHS-RXMQYKEDSA-N 0 0 216.611 2.997 50 0 BFAARN O=C(N1CCCCC1)C1(c2ccccc2F)CC1 ZINC000062064197 182079545 /nfs/dbraw/zinc/07/95/45/182079545.db2.gz WJPVDYGHCMUCEF-UHFFFAOYSA-N 0 0 247.313 2.870 50 0 BFAARN CC(=O)CSc1cc(C)nc(C(C)C)n1 ZINC000012173531 205459748 /nfs/dbraw/zinc/45/97/48/205459748.db2.gz FGHVYYLQJWMQSD-UHFFFAOYSA-N 0 0 224.329 2.590 50 0 BFAARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccoc1 ZINC000013022362 182093690 /nfs/dbraw/zinc/09/36/90/182093690.db2.gz NTEOZGKURNLSLG-UHFFFAOYSA-N 0 0 245.322 2.834 50 0 BFAARN O=C(NC1CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000017120962 182094263 /nfs/dbraw/zinc/09/42/63/182094263.db2.gz CPJARSQTNKFJAL-UHFFFAOYSA-N 0 0 235.714 2.650 50 0 BFAARN O=C(NC1CC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000075337189 182100586 /nfs/dbraw/zinc/10/05/86/182100586.db2.gz AFWRHDIETZNAEG-UHFFFAOYSA-N 0 0 234.686 2.714 50 0 BFAARN Cc1cc(CN2CCC[C@H](C(F)(F)F)C2)on1 ZINC000040475861 373293563 /nfs/dbraw/zinc/29/35/63/373293563.db2.gz KOJCEVXFISSQQJ-VIFPVBQESA-N 0 0 248.248 2.757 50 0 BFAARN O=C(NC1CC1)c1scc2c1CCCC2 ZINC000000140320 182102647 /nfs/dbraw/zinc/10/26/47/182102647.db2.gz HKGNBPWVXCBUKU-UHFFFAOYSA-N 0 0 221.325 2.519 50 0 BFAARN CC(C)c1noc(CN2CCCC[C@H]2C)n1 ZINC000040489581 373316034 /nfs/dbraw/zinc/31/60/34/373316034.db2.gz HYCYRNWGBSBBBZ-SNVBAGLBSA-N 0 0 223.320 2.567 50 0 BFAARN CSCc1ccc(C(=O)NC(C)(C)C)o1 ZINC000040460779 373281799 /nfs/dbraw/zinc/28/17/99/373281799.db2.gz ZHHSDZUXXPLNHM-UHFFFAOYSA-N 0 0 227.329 2.671 50 0 BFAARN O=C(NC1CC1)c1cccc(C(F)(F)F)c1 ZINC000000166865 182099922 /nfs/dbraw/zinc/09/99/22/182099922.db2.gz SXFQCDCQGMEMMW-UHFFFAOYSA-N 0 0 229.201 2.598 50 0 BFAARN CCN(Cc1nc(-c2cccs2)no1)C1CC1 ZINC000040501378 373360231 /nfs/dbraw/zinc/36/02/31/373360231.db2.gz YIINDDQZSJTWAG-UHFFFAOYSA-N 0 0 249.339 2.782 50 0 BFAARN O=C(NC1CCCCC1)c1ccccc1F ZINC000000347244 182113656 /nfs/dbraw/zinc/11/36/56/182113656.db2.gz DSKBXNLFMNQDFV-UHFFFAOYSA-N 0 0 221.275 2.888 50 0 BFAARN O=C(NC1CCCC1)c1cc2cc(F)ccc2[nH]1 ZINC000013957079 182110488 /nfs/dbraw/zinc/11/04/88/182110488.db2.gz BWJNIRPVLDOTAO-UHFFFAOYSA-N 0 0 246.285 2.979 50 0 BFAARN O=C(NCC(F)(F)F)c1cc2c(s1)CCC2 ZINC000048252053 182123098 /nfs/dbraw/zinc/12/30/98/182123098.db2.gz SMLCBNAGKAEZTI-UHFFFAOYSA-N 0 0 249.257 2.529 50 0 BFAARN O=C(NCC1CCCCC1)c1ccccc1 ZINC000012375916 182146340 /nfs/dbraw/zinc/14/63/40/182146340.db2.gz LGTPQVBRVVRWDX-UHFFFAOYSA-N 0 0 217.312 2.997 50 0 BFAARN O=C(NCC1CCCCC1)C1CCCC1 ZINC000068324578 182146780 /nfs/dbraw/zinc/14/67/80/182146780.db2.gz GIPZVASWJWIPGF-UHFFFAOYSA-N 0 0 209.333 2.873 50 0 BFAARN O=C(NCCC1=CCCCC1)c1ccco1 ZINC000000362517 182153623 /nfs/dbraw/zinc/15/36/23/182153623.db2.gz UKUNNKZMSMHCPK-UHFFFAOYSA-N 0 0 219.284 2.900 50 0 BFAARN Cn1c(C(=O)N2CCCC2)cc2c1cccc2F ZINC000040788377 373730511 /nfs/dbraw/zinc/73/05/11/373730511.db2.gz SVBKRSSTOXKFJE-UHFFFAOYSA-N 0 0 246.285 2.553 50 0 BFAARN O=C(NCCc1cccc(F)c1)c1ccsc1 ZINC000007125571 182203049 /nfs/dbraw/zinc/20/30/49/182203049.db2.gz PMSSHGDYAKWXOM-UHFFFAOYSA-N 0 0 249.310 2.860 50 0 BFAARN O=C(NCCc1ccccc1F)C1=CCCCC1 ZINC000125370284 182204428 /nfs/dbraw/zinc/20/44/28/182204428.db2.gz SCNZLWWVOUIDOH-UHFFFAOYSA-N 0 0 247.313 2.985 50 0 BFAARN O=C(NCCc1ccccc1)[C@@H]1CC=CCC1 ZINC000036396055 182204775 /nfs/dbraw/zinc/20/47/75/182204775.db2.gz DJKJKKRIRNIZNX-CQSZACIVSA-N 0 0 229.323 2.702 50 0 BFAARN CCCCNC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000047464433 168855066 /nfs/dbraw/zinc/85/50/66/168855066.db2.gz NGHSBNQFRBFELQ-GFCCVEGCSA-N 0 0 235.327 2.679 50 0 BFAARN CCC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000070249876 374134725 /nfs/dbraw/zinc/13/47/25/374134725.db2.gz HQYUAWABSDIWQE-JGVFFNPUSA-N 0 0 223.238 2.634 50 0 BFAARN O=C(CCc1ccco1)NCc1ccc(F)cc1 ZINC000009450630 374132934 /nfs/dbraw/zinc/13/29/34/374132934.db2.gz WSPDRNJQVNOTAY-UHFFFAOYSA-N 0 0 247.269 2.668 50 0 BFAARN CCCC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000041421360 374140444 /nfs/dbraw/zinc/14/04/44/374140444.db2.gz GKLSZOUTWOXCQU-OCCSQVGLSA-N 0 0 247.338 2.775 50 0 BFAARN O=C(NCc1cccc(F)c1)c1ccc(F)cc1 ZINC000037493071 182254698 /nfs/dbraw/zinc/25/46/98/182254698.db2.gz VPSWXZPCVRNTOA-UHFFFAOYSA-N 0 0 247.244 2.895 50 0 BFAARN O=C(NCc1c[nH]c2ccccc12)C1CCCC1 ZINC000041340946 182247687 /nfs/dbraw/zinc/24/76/87/182247687.db2.gz HOYKCHQOQPMHQW-UHFFFAOYSA-N 0 0 242.322 2.974 50 0 BFAARN O=C(NCc1ccc(F)cc1)c1cccc(F)c1 ZINC000003093736 182250136 /nfs/dbraw/zinc/25/01/36/182250136.db2.gz BTNPMXNZFXKRBN-UHFFFAOYSA-N 0 0 247.244 2.895 50 0 BFAARN O=C(NCc1cccs1)OCC(F)(F)F ZINC000008324318 182264148 /nfs/dbraw/zinc/26/41/48/182264148.db2.gz KHRKYZKALYFWNH-UHFFFAOYSA-N 0 0 239.218 2.537 50 0 BFAARN O=C(NCc1cccs1)[C@@H]1CC=CCC1 ZINC000032994413 182264486 /nfs/dbraw/zinc/26/44/86/182264486.db2.gz ZYTJPIJNEORIDE-SNVBAGLBSA-N 0 0 221.325 2.721 50 0 BFAARN O=C(NCc1ccccc1Cl)c1ccccn1 ZINC000006433029 182257670 /nfs/dbraw/zinc/25/76/70/182257670.db2.gz WGTGGBQAQBELJD-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN CCN(Cc1nc(C)no1)Cc1cccc(F)c1 ZINC000042501622 374272793 /nfs/dbraw/zinc/27/27/93/374272793.db2.gz MVLSKBFERMWKFY-UHFFFAOYSA-N 0 0 249.289 2.539 50 0 BFAARN O=C(NCc1ccco1)Nc1ccccc1F ZINC000002889982 182261788 /nfs/dbraw/zinc/26/17/88/182261788.db2.gz OHSAHFGWDMVFIZ-UHFFFAOYSA-N 0 0 234.230 2.740 50 0 BFAARN CS[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000042828795 374291053 /nfs/dbraw/zinc/29/10/53/374291053.db2.gz WPRVRMDTLNMXSH-WDEREUQCSA-N 0 0 237.368 2.924 50 0 BFAARN CCC[C@@H]1CCCC[C@H]1NC(=O)NCC ZINC000071796300 374293741 /nfs/dbraw/zinc/29/37/41/374293741.db2.gz JGIMTQYGTUYZSK-GHMZBOCLSA-N 0 0 212.337 2.664 50 0 BFAARN O=C(NCc1ccoc1)c1cc2ccccc2[nH]1 ZINC000045783878 182266441 /nfs/dbraw/zinc/26/64/41/182266441.db2.gz YYQKFVWVILDLQF-UHFFFAOYSA-N 0 0 240.262 2.691 50 0 BFAARN O=C(NOCc1ccccc1)C1CCCCC1 ZINC000006223238 182283384 /nfs/dbraw/zinc/28/33/84/182283384.db2.gz OKFYBNPULQFGII-UHFFFAOYSA-N 0 0 233.311 2.815 50 0 BFAARN O=C(NOCc1ccccc1)c1cccs1 ZINC000036727610 182284219 /nfs/dbraw/zinc/28/42/19/182284219.db2.gz LXDZTTRUHWWLQW-UHFFFAOYSA-N 0 0 233.292 2.610 50 0 BFAARN O=C(N[C@@H]1CC=CCC1)[C@H]1CCC(F)(F)C1 ZINC000336538156 182291462 /nfs/dbraw/zinc/29/14/62/182291462.db2.gz XEDYOJLVZQBAAH-VHSXEESVSA-N 0 0 229.270 2.647 50 0 BFAARN CCCCOc1ccc(C)cc1-c1n[nH]c(=O)[n-]1 ZINC000426422024 206049002 /nfs/dbraw/zinc/04/90/02/206049002.db2.gz SDXRQYOYWDUXSR-UHFFFAOYSA-N 0 0 247.298 2.665 50 0 BFAARN O=C(N[C@@H]1CCCc2occc21)c1ccco1 ZINC000012924200 182303049 /nfs/dbraw/zinc/30/30/49/182303049.db2.gz KOGNRAKSZBWUJI-SNVBAGLBSA-N 0 0 231.251 2.680 50 0 BFAARN CCCCNC(=O)c1ccc2ncsc2c1 ZINC000003400731 168861996 /nfs/dbraw/zinc/86/19/96/168861996.db2.gz NUIIOEGOEMOFSM-UHFFFAOYSA-N 0 0 234.324 2.826 50 0 BFAARN O=C(Nc1ccc(Cl)cc1)N1CCSC1 ZINC000016428346 182352801 /nfs/dbraw/zinc/35/28/01/182352801.db2.gz PEADLIUWQUYCCN-UHFFFAOYSA-N 0 0 242.731 2.878 50 0 BFAARN O=C(Nc1ccc(Cl)cc1O)c1ccco1 ZINC000000178360 182353538 /nfs/dbraw/zinc/35/35/38/182353538.db2.gz JRFMXCHVUBTYFT-UHFFFAOYSA-N 0 0 237.642 2.891 50 0 BFAARN O=C(Nc1ccc(F)cc1)c1ccco1 ZINC000000183732 182357334 /nfs/dbraw/zinc/35/73/34/182357334.db2.gz AQQZKDFBNBVLHX-UHFFFAOYSA-N 0 0 205.188 2.671 50 0 BFAARN O=C(Nc1cc(F)cc(F)c1)c1ccoc1 ZINC000016305788 182349966 /nfs/dbraw/zinc/34/99/66/182349966.db2.gz JJQTUALVOMHVES-UHFFFAOYSA-N 0 0 223.178 2.810 50 0 BFAARN O=C(Nc1cc(F)ccc1F)c1ccccn1 ZINC000003455959 182350054 /nfs/dbraw/zinc/35/00/54/182350054.db2.gz SKEMJRYVMQAAND-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1cccc(CO)c1)C1CCCCC1 ZINC000008166148 182367994 /nfs/dbraw/zinc/36/79/94/182367994.db2.gz ZXKQPDPDQXSBRQ-UHFFFAOYSA-N 0 0 233.311 2.698 50 0 BFAARN O=C(Nc1ccc(O)cc1)c1ccccc1 ZINC000000406310 182361110 /nfs/dbraw/zinc/36/11/10/182361110.db2.gz CVPWYDXAVJCNAG-UHFFFAOYSA-N 0 0 213.236 2.645 50 0 BFAARN O=C(Nc1ccc(O)cc1)c1cccs1 ZINC000003886973 182361134 /nfs/dbraw/zinc/36/11/34/182361134.db2.gz XBRSNMYZHZKDSW-UHFFFAOYSA-N 0 0 219.265 2.706 50 0 BFAARN O=C(Nc1ccc2c(c1)CCC2)C1CCC1 ZINC000003549008 182361676 /nfs/dbraw/zinc/36/16/76/182361676.db2.gz AADFTMUAXKCRJC-UHFFFAOYSA-N 0 0 215.296 2.914 50 0 BFAARN O=C(Nc1ccc2c(c1)CCC2)C1CCOCC1 ZINC000008429468 182362429 /nfs/dbraw/zinc/36/24/29/182362429.db2.gz UPXPOMHZQXBVJL-UHFFFAOYSA-N 0 0 245.322 2.540 50 0 BFAARN O=C(Nc1ccc2c(c1)CCCC2)[C@H]1CCCO1 ZINC000004751740 182364526 /nfs/dbraw/zinc/36/45/26/182364526.db2.gz IEGQWRQNBZEMII-CQSZACIVSA-N 0 0 245.322 2.683 50 0 BFAARN O=C(Nc1ccc2c(c1)OCO2)C1CCCC1 ZINC000002621593 182365488 /nfs/dbraw/zinc/36/54/88/182365488.db2.gz SYNSLYSOEPQFAB-UHFFFAOYSA-N 0 0 233.267 2.544 50 0 BFAARN O=C(Nc1ccc2ncccc2c1)c1cccnc1 ZINC000018192663 182367105 /nfs/dbraw/zinc/36/71/05/182367105.db2.gz XRQKZEWDRIVYQH-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1cccc2ncccc21)C1CCC1 ZINC000007757891 182374895 /nfs/dbraw/zinc/37/48/95/182374895.db2.gz RQDSNGJHHAGMRR-UHFFFAOYSA-N 0 0 226.279 2.973 50 0 BFAARN O=C(Nc1ccccc1)C(Cl)(Cl)Cl ZINC000000254996 182375157 /nfs/dbraw/zinc/37/51/57/182375157.db2.gz GUYVJLNKTIYUON-UHFFFAOYSA-N 0 0 238.501 2.995 50 0 BFAARN O=C(Nc1ccccc1)c1ccc2c[nH]nc2c1 ZINC000060393071 182378584 /nfs/dbraw/zinc/37/85/84/182378584.db2.gz IULLIOOHQQYSES-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 BFAARN O=C(Nc1ccccc1F)c1cccc(O)c1 ZINC000000033053 182379385 /nfs/dbraw/zinc/37/93/85/182379385.db2.gz JUOLLROLRJWOTP-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1cccc(F)c1)OCc1cccnc1 ZINC000000397668 182369695 /nfs/dbraw/zinc/36/96/95/182369695.db2.gz JPKOCLSXZBFXRB-UHFFFAOYSA-N 0 0 246.241 2.969 50 0 BFAARN O=C(Nc1cccc(F)c1)[C@H]1CC1(Cl)Cl ZINC000010024699 182369708 /nfs/dbraw/zinc/36/97/08/182369708.db2.gz FXUZDARKUSVZEV-MRVPVSSYSA-N 0 0 248.084 2.958 50 0 BFAARN O=C(Nc1cccc(F)c1)c1ccc(O)cc1 ZINC000019839513 182370086 /nfs/dbraw/zinc/37/00/86/182370086.db2.gz GSPMYUWFWNYBFI-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1cccc2[nH]ccc21)c1ccccn1 ZINC000072400446 182372310 /nfs/dbraw/zinc/37/23/10/182372310.db2.gz BTEZBPYLAJQWSC-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 BFAARN O=C(Nc1cccc2ccccc21)[C@H]1CCCO1 ZINC000006342550 182373289 /nfs/dbraw/zinc/37/32/89/182373289.db2.gz FIZSHMVDQNLWQD-CQSZACIVSA-N 0 0 241.290 2.957 50 0 BFAARN O=C(Nc1cccc2ccccc21)[C@@H]1CCCO1 ZINC000006342544 182373360 /nfs/dbraw/zinc/37/33/60/182373360.db2.gz FIZSHMVDQNLWQD-AWEZNQCLSA-N 0 0 241.290 2.957 50 0 BFAARN O=C(Nc1ccccc1F)c1cc(C2CC2)on1 ZINC000024376362 182379170 /nfs/dbraw/zinc/37/91/70/182379170.db2.gz WJUOTBVCOKKVII-UHFFFAOYSA-N 0 0 246.241 2.943 50 0 BFAARN O=C(Nc1ccccc1O)c1cccnc1Cl ZINC000000983995 182381046 /nfs/dbraw/zinc/38/10/46/182381046.db2.gz BGPHHUWYPVJKBY-UHFFFAOYSA-N 0 0 248.669 2.693 50 0 BFAARN O=C(Nc1ccccn1)c1ccc2c(c1)CCC2 ZINC000012537357 182382924 /nfs/dbraw/zinc/38/29/24/182382924.db2.gz WONSVVUYFNCTBD-UHFFFAOYSA-N 0 0 238.290 2.823 50 0 BFAARN O=C(Nc1ccncc1)c1cc(F)cc(F)c1 ZINC000005694504 182386041 /nfs/dbraw/zinc/38/60/41/182386041.db2.gz DOWACLMMUHCCBK-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1ccncc1)c1ccc(Cl)cc1 ZINC000000059337 182386771 /nfs/dbraw/zinc/38/67/71/182386771.db2.gz XUCJZEMSZSRYHK-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1ccncc1)c1ccccc1Cl ZINC000000242270 182387980 /nfs/dbraw/zinc/38/79/80/182387980.db2.gz LAPMELZAGCLQGW-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1ccon1)c1ccc(F)cc1Cl ZINC000006742640 182388668 /nfs/dbraw/zinc/38/86/68/182388668.db2.gz KNRLDDQORUXKJD-UHFFFAOYSA-N 0 0 240.621 2.719 50 0 BFAARN O=C(Nc1nc2c(s1)CCCC2)c1ccoc1 ZINC000009535245 182398493 /nfs/dbraw/zinc/39/84/93/182398493.db2.gz YEECSJLSWOKZMX-UHFFFAOYSA-N 0 0 248.307 2.867 50 0 BFAARN O=C(Nc1nc(-c2ccccn2)cs1)C1CC1 ZINC000006191378 182396845 /nfs/dbraw/zinc/39/68/45/182396845.db2.gz JEIQXKATITVZRK-UHFFFAOYSA-N 0 0 245.307 2.554 50 0 BFAARN CCNc1nnc(-c2ccccc2OC)s1 ZINC000002812192 170178742 /nfs/dbraw/zinc/17/87/42/170178742.db2.gz LAMKGDFQYHDYGG-UHFFFAOYSA-N 0 0 235.312 2.646 50 0 BFAARN CCOC(=O)C(C)(C)Oc1ccc(CC)cc1 ZINC000001459689 170188057 /nfs/dbraw/zinc/18/80/57/170188057.db2.gz MIRLMEGGYCKMGQ-UHFFFAOYSA-N 0 0 236.311 2.970 50 0 BFAARN O=C(OCc1ccccc1F)c1ccc(O)cc1 ZINC000003237846 182606498 /nfs/dbraw/zinc/60/64/98/182606498.db2.gz CGRSQHJUAOEMJZ-UHFFFAOYSA-N 0 0 246.237 2.888 50 0 BFAARN O=C(c1ccc(F)cc1Cl)N1CCCC1 ZINC000003296623 182661262 /nfs/dbraw/zinc/66/12/62/182661262.db2.gz BZNWSMROUGCRKN-UHFFFAOYSA-N 0 0 227.666 2.715 50 0 BFAARN O=C(c1cc2ccccc2s1)N1CCC1 ZINC000012973893 182652527 /nfs/dbraw/zinc/65/25/27/182652527.db2.gz SDSXRAKTOUCMQV-UHFFFAOYSA-N 0 0 217.293 2.747 50 0 BFAARN O=C(c1ccc(Cl)c(Cl)c1)n1cccn1 ZINC000000037156 182658163 /nfs/dbraw/zinc/65/81/63/182658163.db2.gz PPOZMMBGUFTQOQ-UHFFFAOYSA-N 0 0 241.077 2.878 50 0 in-vivo BFAARN O=C(c1ccc2cc(O)ccc2c1)N1CCCC1 ZINC000067802538 182665967 /nfs/dbraw/zinc/66/59/67/182665967.db2.gz QRDOGCBZKNAJNL-UHFFFAOYSA-N 0 0 241.290 2.781 50 0 BFAARN O=C(c1ccoc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040480992 182691669 /nfs/dbraw/zinc/69/16/69/182691669.db2.gz VHMFDHKEXYWMSB-SECBINFHSA-N 0 0 247.216 2.694 50 0 BFAARN O=C1CCC(=O)N1c1c(Cl)cccc1Cl ZINC000000263497 182722862 /nfs/dbraw/zinc/72/28/62/182722862.db2.gz QYBXVNZMJRJXII-UHFFFAOYSA-N 0 0 244.077 2.647 50 0 BFAARN O=C1Cn2c3ccccc3nc2-c2ccccc2N1 ZINC000013130067 182789643 /nfs/dbraw/zinc/78/96/43/182789643.db2.gz WYFSKPGSCIUQHE-UHFFFAOYSA-N 0 0 249.273 2.655 50 0 BFAARN O=c1[nH]c(Nc2ccc(F)cc2)cs1 ZINC000016754225 182789696 /nfs/dbraw/zinc/78/96/96/182789696.db2.gz PRJHGXHOSWQEBV-UHFFFAOYSA-N 0 0 210.233 2.503 50 0 BFAARN O=C1N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1 ZINC000000061498 182819401 /nfs/dbraw/zinc/81/94/01/182819401.db2.gz MLAJDFOBMYBISF-KBPBESRZSA-N 0 0 238.290 2.782 50 0 BFAARN O=C1c2ccccc2NC2(CCCC2)N1C1CC1 ZINC000032666150 182845967 /nfs/dbraw/zinc/84/59/67/182845967.db2.gz HODJUZXBEBUBJW-UHFFFAOYSA-N 0 0 242.322 2.987 50 0 BFAARN O=C1[C@H](SCc2ccccc2)CCN1C1CC1 ZINC000361164651 182840570 /nfs/dbraw/zinc/84/05/70/182840570.db2.gz RZBWNJCXQFFCDZ-CYBMUJFWSA-N 0 0 247.363 2.683 50 0 BFAARN O=Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC000071863940 182863325 /nfs/dbraw/zinc/86/33/25/182863325.db2.gz DWAKSLJAOOGKSP-UHFFFAOYSA-N 0 0 209.554 2.566 50 0 BFAARN O=Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000004106320 182869750 /nfs/dbraw/zinc/86/97/50/182869750.db2.gz CXDXKVFZZZMJQB-UHFFFAOYSA-N 0 0 217.199 2.826 50 0 BFAARN O=S(=O)(c1cccs1)c1cccs1 ZINC000000115877 182905309 /nfs/dbraw/zinc/90/53/09/182905309.db2.gz FXHFMWCIVYIUKA-UHFFFAOYSA-N 0 0 230.335 2.642 50 0 BFAARN O=c1[nH]c2ccc(NCc3cccs3)cc2[nH]1 ZINC000000308527 182974277 /nfs/dbraw/zinc/97/42/77/182974277.db2.gz IMRKTPVKHSGJLY-UHFFFAOYSA-N 0 0 245.307 2.530 50 0 BFAARN O=c1c(Br)coc2ccc(F)cc12 ZINC000000057793 182982597 /nfs/dbraw/zinc/98/25/97/182982597.db2.gz KASZNDJKYQAXNZ-UHFFFAOYSA-N 0 0 243.031 2.695 50 0 biogenic,in-vitro BFAARN O=c1c(O)c(-c2cccnc2)oc2ccccc12 ZINC000000115150 182986046 /nfs/dbraw/zinc/98/60/46/182986046.db2.gz KFUIWHFMQRLXRZ-UHFFFAOYSA-N 0 0 239.230 2.561 50 0 BFAARN O=c1ccc2c(Cl)ccc(Cl)c2[nH]1 ZINC000070054893 183000790 /nfs/dbraw/zinc/00/07/90/183000790.db2.gz LRBMALNNSRXZJJ-UHFFFAOYSA-N 0 0 214.051 2.835 50 0 BFAARN O=c1ccccn1CCOc1cccc(Cl)c1 ZINC000039981981 183001867 /nfs/dbraw/zinc/00/18/67/183001867.db2.gz OAHAJKLVABIZJX-UHFFFAOYSA-N 0 0 249.697 2.581 50 0 BFAARN O=c1cccnn1C/C=C/c1ccc(Cl)cc1 ZINC000195418646 183002137 /nfs/dbraw/zinc/00/21/37/183002137.db2.gz RKAKJASYUORKIW-NSCUHMNNSA-N 0 0 246.697 2.610 50 0 BFAARN O=c1ccn(Cc2ccccc2Cl)cc1 ZINC000001063804 183003734 /nfs/dbraw/zinc/00/37/34/183003734.db2.gz ZCPMKPJIWFOWAL-UHFFFAOYSA-N 0 0 219.671 2.550 50 0 BFAARN O=C1NC2(CCCC2)Oc2ccccc21 ZINC000000051586 183024687 /nfs/dbraw/zinc/02/46/87/183024687.db2.gz BSPVYWBNGUTBQQ-UHFFFAOYSA-N 0 0 203.241 2.654 50 0 BFAARN O=C1NC2(CCSCC2)Nc2ccccc21 ZINC000012522565 183025053 /nfs/dbraw/zinc/02/50/53/183025053.db2.gz ODYSTGFFNRXWOJ-UHFFFAOYSA-N 0 0 234.324 2.640 50 0 BFAARN O=C1C[C@@H](c2ccccc2F)c2c[nH]nc2N1 ZINC000020721956 183026331 /nfs/dbraw/zinc/02/63/31/183026331.db2.gz ZAMMBGLWLJIGGK-QMMMGPOBSA-N 0 0 231.230 2.672 50 0 BFAARN OCCCCCCCCCCn1ccnc1 ZINC000044069494 183043118 /nfs/dbraw/zinc/04/31/18/183043118.db2.gz XFIJCEYDSGZRHB-UHFFFAOYSA-N 0 0 224.348 2.996 50 0 BFAARN CCCC[C@@H]1C=CCN1C(=O)c1ncoc1C ZINC000216252603 168975217 /nfs/dbraw/zinc/97/52/17/168975217.db2.gz JWJMVEWAOSPAEO-LLVKDONJSA-N 0 0 234.299 2.554 50 0 BFAARN OCCCc1cccc(C(F)(F)F)c1 ZINC000022008403 183063860 /nfs/dbraw/zinc/06/38/60/183063860.db2.gz QWXKQVIMGVVIBX-UHFFFAOYSA-N 0 0 204.191 2.630 50 0 in-vitro BFAARN OCC[C@H](O)n1c2ccccc2c2ccccc21 ZINC000004029487 183096139 /nfs/dbraw/zinc/09/61/39/183096139.db2.gz VWZHCSZBZYMQQM-HNNXBMFYSA-N 0 0 241.290 2.668 50 0 biogenic BFAARN OCCc1cc(-c2ccc(Cl)cc2)no1 ZINC000027521368 183100079 /nfs/dbraw/zinc/10/00/79/183100079.db2.gz XVWNLZSTGZYSEM-UHFFFAOYSA-N 0 0 223.659 2.530 50 0 BFAARN CCCC[C@H](NCc1ccccc1)C(=O)OC ZINC000002506602 169011657 /nfs/dbraw/zinc/01/16/57/169011657.db2.gz YKBIQUQKFOGJGU-ZDUSSCGKSA-N 0 0 235.327 2.508 50 0 BFAARN OCCn1c2ccccc2c2ccccc21 ZINC000000360852 183103226 /nfs/dbraw/zinc/10/32/26/183103226.db2.gz IIKVAWLYHHZRGV-UHFFFAOYSA-N 0 0 211.264 2.787 50 0 BFAARN CCCC[C@H]1CCC[C@H]1NC(=O)NCC ZINC000069721587 169014131 /nfs/dbraw/zinc/01/41/31/169014131.db2.gz WGMJPGNUFBEONY-WDEREUQCSA-N 0 0 212.337 2.664 50 0 BFAARN CCCCc1c(O)[nH]c2ccccc2c1=O ZINC000008772688 169018484 /nfs/dbraw/zinc/01/84/84/169018484.db2.gz ICDTXYOXZYXZKA-UHFFFAOYSA-N 0 0 217.268 2.576 50 0 biogenic BFAARN CCCCc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000034351225 169027091 /nfs/dbraw/zinc/02/70/91/169027091.db2.gz NTAJPXKGAMPIHG-UHFFFAOYSA-N 0 0 232.283 2.692 50 0 BFAARN CCCCn1c2ccccc2nc1NC(C)=O ZINC000002269948 169034240 /nfs/dbraw/zinc/03/42/40/169034240.db2.gz UYHOQQAQYSCCSF-UHFFFAOYSA-N 0 0 231.299 2.795 50 0 BFAARN CCCCn1cnc2sc(CC)cc2c1=O ZINC000001892806 169036902 /nfs/dbraw/zinc/03/69/02/169036902.db2.gz PHNRMTGQHJQPIN-UHFFFAOYSA-N 0 0 236.340 2.821 50 0 BFAARN OCc1ccc(Cl)cc1Br ZINC000089065186 183165014 /nfs/dbraw/zinc/16/50/14/183165014.db2.gz LSBLTOOILFNPNO-UHFFFAOYSA-N 0 0 221.481 2.595 50 0 BFAARN O[C@@H](Cc1cccc(Cl)c1)C(F)(F)F ZINC000061893938 183183168 /nfs/dbraw/zinc/18/31/68/183183168.db2.gz SVEIEDFKSFGRES-QMMMGPOBSA-N 0 0 224.609 2.806 50 0 BFAARN OCc1ccc(OCc2ccccc2)cc1 ZINC000002504423 183166399 /nfs/dbraw/zinc/16/63/99/183166399.db2.gz OEBIVOHKFYSBPE-UHFFFAOYSA-N 0 0 214.264 2.758 50 0 in-vitro BFAARN CCCN(C)C(=O)NCCc1ccccc1C ZINC000063777666 169053372 /nfs/dbraw/zinc/05/33/72/169053372.db2.gz NQBICAGYCZLPOA-UHFFFAOYSA-N 0 0 234.343 2.589 50 0 BFAARN OCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000001042835 183170037 /nfs/dbraw/zinc/17/00/37/183170037.db2.gz UICGABWUJKMBEN-UHFFFAOYSA-N 0 0 225.700 2.956 50 0 BFAARN O[C@@H]1CCC[C@H]1Nc1ccc2ccccc2n1 ZINC000195575371 183196331 /nfs/dbraw/zinc/19/63/31/183196331.db2.gz IQAYUXVPACNULT-CHWSQXEVSA-N 0 0 228.295 2.560 50 0 BFAARN O[C@@H]1CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000000213033 183198322 /nfs/dbraw/zinc/19/83/22/183198322.db2.gz VMZADYKTSRZBMS-SECBINFHSA-N 0 0 246.137 2.560 50 0 BFAARN O[C@@H]1CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000000217630 183198810 /nfs/dbraw/zinc/19/88/10/183198810.db2.gz GUYMOOVSTCKWJM-MRVPVSSYSA-N 0 0 246.137 2.560 50 0 BFAARN O[C@@H]1CCOc2cc(Cl)cc(Cl)c21 ZINC000084150742 183201833 /nfs/dbraw/zinc/20/18/33/183201833.db2.gz UECZCGXIKKUAPT-SSDOTTSWSA-N 0 0 219.067 2.809 50 0 BFAARN O[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000042405577 183206573 /nfs/dbraw/zinc/20/65/73/183206573.db2.gz MSBZPTHVBLQOPJ-MRVPVSSYSA-N 0 0 203.068 2.973 50 0 BFAARN O[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000038588517 183186022 /nfs/dbraw/zinc/18/60/22/183186022.db2.gz SDHDPMKOWGBAOY-AWEZNQCLSA-N 0 0 224.263 2.645 50 0 BFAARN O[C@@H](c1ccsc1)[C@@H](O)c1ccsc1 ZINC000000480752 183186966 /nfs/dbraw/zinc/18/69/66/183186966.db2.gz IWYXQWCFZSLUJX-UWVGGRQHSA-N 0 0 226.322 2.577 50 0 BFAARN O[C@@H](c1ccncc1)c1cccc(Cl)c1F ZINC000064555240 183187084 /nfs/dbraw/zinc/18/70/84/183187084.db2.gz JMZQHTSGDDWRDH-LBPRGKRZSA-N 0 0 237.661 2.956 50 0 BFAARN O[C@@H]1CCCOc2ccc(Br)cc21 ZINC000062620986 183193327 /nfs/dbraw/zinc/19/33/27/183193327.db2.gz QGEPJFQBBYSBQE-SECBINFHSA-N 0 0 243.100 2.655 50 0 BFAARN O[C@@H]1CCCOc2c(Br)cccc21 ZINC000062620983 183193677 /nfs/dbraw/zinc/19/36/77/183193677.db2.gz KNGPVHHOPCBJRP-SECBINFHSA-N 0 0 243.100 2.655 50 0 BFAARN O[C@@H]([C@H](O)C1CCCCC1)C1CCCCC1 ZINC000000388520 183218154 /nfs/dbraw/zinc/21/81/54/183218154.db2.gz CKHLARJSOMXDKL-ZIAGYGMSSA-N 0 0 226.360 2.869 50 0 BFAARN O[C@@H]1CCCCCCCCCC[C@@H]1O ZINC000004773220 183231657 /nfs/dbraw/zinc/23/16/57/183231657.db2.gz HAMFVYJFVXTJCJ-TXEJJXNPSA-N 0 0 200.322 2.623 50 0 BFAARN O[C@H]1CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000000217636 183239619 /nfs/dbraw/zinc/23/96/19/183239619.db2.gz GUYMOOVSTCKWJM-QMMMGPOBSA-N 0 0 246.137 2.560 50 0 BFAARN O[C@H]1CCOc2cc(Cl)cc(Cl)c21 ZINC000084150745 183241285 /nfs/dbraw/zinc/24/12/85/183241285.db2.gz UECZCGXIKKUAPT-ZETCQYMHSA-N 0 0 219.067 2.809 50 0 BFAARN Oc1ccc(-c2cc(F)ccc2F)nc1 ZINC000065355758 183264850 /nfs/dbraw/zinc/26/48/50/183264850.db2.gz DHAHVVVYUYYBNH-UHFFFAOYSA-N 0 0 207.179 2.732 50 0 BFAARN CCCN(CCC)S(=O)(=O)c1cccs1 ZINC000013939828 169151121 /nfs/dbraw/zinc/15/11/21/169151121.db2.gz RXJAYNNCJDAWJN-UHFFFAOYSA-N 0 0 247.385 2.559 50 0 BFAARN Oc1ccc(C(=S)N2CCCCC2)cc1 ZINC000013130080 183267244 /nfs/dbraw/zinc/26/72/44/183267244.db2.gz AXYKPBYGQHHZIY-UHFFFAOYSA-N 0 0 221.325 2.554 50 0 BFAARN Oc1ccc(Nc2ccc(O)cc2)cc1 ZINC000000186362 183277071 /nfs/dbraw/zinc/27/70/71/183277071.db2.gz YRUPBAWWCPVHFT-UHFFFAOYSA-N 0 0 201.225 2.841 50 0 BFAARN Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1 ZINC000000388661 183277829 /nfs/dbraw/zinc/27/78/29/183277829.db2.gz ADFCQWZHKCXPAJ-GFCCVEGCSA-N 0 0 242.274 2.817 50 0 endogenous,investigational BFAARN CCCN(CCC)C(=O)c1c(C)onc1CC ZINC000065542110 169144280 /nfs/dbraw/zinc/14/42/80/169144280.db2.gz HLDLGRGHTLCJKV-UHFFFAOYSA-N 0 0 238.331 2.808 50 0 BFAARN O=c1ccc2ccc(OC(F)F)[nH]c-2c1 ZINC000091362295 183284586 /nfs/dbraw/zinc/28/45/86/183284586.db2.gz YJPDZFAVWWBUSV-UHFFFAOYSA-N 0 0 211.167 2.542 50 0 BFAARN Oc1ccc2[nH]c(Cc3ccccc3)nc2c1 ZINC000004102564 183285829 /nfs/dbraw/zinc/28/58/29/183285829.db2.gz IBUGFPGBFUVOCW-UHFFFAOYSA-N 0 0 224.263 2.859 50 0 BFAARN Oc1ccccc1-c1nc2ccccc2[nH]1 ZINC000000166610 183300169 /nfs/dbraw/zinc/30/01/69/183300169.db2.gz XWXMGTIHBYFTIE-UHFFFAOYSA-N 0 0 210.236 2.936 50 0 BFAARN Oc1cncc2ccc(Br)cc12 ZINC000071864267 183305189 /nfs/dbraw/zinc/30/51/89/183305189.db2.gz KXGSBBRPEPMUTK-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Oc1cnc2ccc(Br)cc2c1 ZINC000032099250 183305197 /nfs/dbraw/zinc/30/51/97/183305197.db2.gz CURYXBCGKGDWCN-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN S=c1[nH][nH]c(=S)n1-c1ccccc1 ZINC000004530329 183313910 /nfs/dbraw/zinc/31/39/10/183313910.db2.gz HHMMSIFWVIWYNN-UHFFFAOYSA-N 0 0 209.299 2.592 50 0 BFAARN S=c1nc(-c2ccc3c(c2)OCCO3)cc[nH]1 ZINC000004323910 183314764 /nfs/dbraw/zinc/31/47/64/183314764.db2.gz HJJBHMSWWCRTMD-UHFFFAOYSA-N 0 0 246.291 2.577 50 0 BFAARN S=c1[nH]nc(Cc2cccs2)n1C1CC1 ZINC000004206588 183314874 /nfs/dbraw/zinc/31/48/74/183314874.db2.gz YFLJIWADRKDDKS-UHFFFAOYSA-N 0 0 237.353 2.928 50 0 BFAARN S=C1N=NCN1c1cc(Cl)cc(Cl)c1 ZINC000006828453 183316637 /nfs/dbraw/zinc/31/66/37/183316637.db2.gz NRFKVYAJBOVDOP-UHFFFAOYSA-N 0 0 246.122 2.863 50 0 BFAARN c1snnc1-c1ccc(-c2csnn2)cc1 ZINC000000106797 183328582 /nfs/dbraw/zinc/32/85/82/183328582.db2.gz YGDCZCOYHVZPNC-UHFFFAOYSA-N 0 0 246.320 2.724 50 0 BFAARN c1cc(-c2nc(CN3CCCCC3)no2)cs1 ZINC000089885466 183331019 /nfs/dbraw/zinc/33/10/19/183331019.db2.gz QSMMDMXBAPIGQU-UHFFFAOYSA-N 0 0 249.339 2.784 50 0 BFAARN c1nc(-c2ccncc2)sc1-c1ccncn1 ZINC000221529236 183331701 /nfs/dbraw/zinc/33/17/01/183331701.db2.gz UJEVJUJBSIHOAT-UHFFFAOYSA-N 0 0 240.291 2.662 50 0 BFAARN O=c1[nH]cccc1-c1nc2ccccc2o1 ZINC000008729885 183308718 /nfs/dbraw/zinc/30/87/18/183308718.db2.gz IMBFGQSBFRQBTA-UHFFFAOYSA-N 0 0 212.208 2.595 50 0 BFAARN S=C(NCc1ccco1)N1CCCCCC1 ZINC000006330910 183311432 /nfs/dbraw/zinc/31/14/32/183311432.db2.gz XEMYRBBJSFCRFI-UHFFFAOYSA-N 0 0 238.356 2.530 50 0 BFAARN S=C(NCc1cccs1)NC1CCCC1 ZINC000000469275 183311739 /nfs/dbraw/zinc/31/17/39/183311739.db2.gz BIYZGNUBNSNUES-UHFFFAOYSA-N 0 0 240.397 2.655 50 0 BFAARN CCCNC(=O)CNc1ccc2ccccc2c1 ZINC000035138162 169230191 /nfs/dbraw/zinc/23/01/91/169230191.db2.gz RIHMPHBFJWTXPQ-UHFFFAOYSA-N 0 0 242.322 2.778 50 0 BFAARN CCCNC(=O)C[C@H](C)c1ccccc1 ZINC000005591225 169232204 /nfs/dbraw/zinc/23/22/04/169232204.db2.gz HLCLMJMOSKYAEO-NSHDSACASA-N 0 0 205.301 2.706 50 0 BFAARN CCCNC(=O)/C(C)=C/c1ccccc1 ZINC000004696223 169212330 /nfs/dbraw/zinc/21/23/30/169212330.db2.gz RUCSNGQMDLYMNJ-ZHACJKMWSA-N 0 0 203.285 2.616 50 0 BFAARN c1cc2nccc(N3CCCC3)c2s1 ZINC000089884867 183356057 /nfs/dbraw/zinc/35/60/57/183356057.db2.gz VBOHCUSHIZVBFN-UHFFFAOYSA-N 0 0 204.298 2.897 50 0 BFAARN CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004256880 169236240 /nfs/dbraw/zinc/23/62/40/169236240.db2.gz CCWNPDYOSNXDOP-UHFFFAOYSA-N 0 0 236.359 2.664 50 0 BFAARN CCCNC(=O)Nc1cc(F)ccc1C ZINC000006741733 169239263 /nfs/dbraw/zinc/23/92/63/169239263.db2.gz ORQXSLCCBQGLPA-UHFFFAOYSA-N 0 0 210.252 2.666 50 0 BFAARN CCCNC(=O)Nc1cccc(F)c1C ZINC000002846966 169240385 /nfs/dbraw/zinc/24/03/85/169240385.db2.gz FORLXVKRIHADFD-UHFFFAOYSA-N 0 0 210.252 2.666 50 0 BFAARN CCCNC(=O)[C@@H](C)Nc1ccc(C)cc1C ZINC000020312774 169242039 /nfs/dbraw/zinc/24/20/39/169242039.db2.gz MZYLPIFTFAWFCJ-GFCCVEGCSA-N 0 0 234.343 2.630 50 0 BFAARN CCCNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000072115448 169242678 /nfs/dbraw/zinc/24/26/78/169242678.db2.gz NTQKAUPRFNJPPK-GFCCVEGCSA-N 0 0 235.327 2.597 50 0 BFAARN c1ccc(-c2ccn3c4ccccc4nc3n2)nc1 ZINC000032102173 183380673 /nfs/dbraw/zinc/38/06/73/183380673.db2.gz BAJLMFWZNSFDQB-UHFFFAOYSA-N 0 0 246.273 2.945 50 0 BFAARN CCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1 ZINC000008493244 169247287 /nfs/dbraw/zinc/24/72/87/169247287.db2.gz MIQQWQKFIINOIS-LBPRGKRZSA-N 0 0 235.327 2.597 50 0 BFAARN CCCNC(=O)[C@H](C)Oc1ccc(C)cc1C ZINC000008492893 169247695 /nfs/dbraw/zinc/24/76/95/169247695.db2.gz HOZWNKRLSWLFMJ-LBPRGKRZSA-N 0 0 235.327 2.597 50 0 BFAARN c1ccc(-c2noc(-c3ccccn3)n2)cc1 ZINC000000386278 183384837 /nfs/dbraw/zinc/38/48/37/183384837.db2.gz PLEXSHRWUIGICB-UHFFFAOYSA-N 0 0 223.235 2.799 50 0 BFAARN CCCNC(=O)c1ncoc1-c1cccs1 ZINC000021641808 169253372 /nfs/dbraw/zinc/25/33/72/169253372.db2.gz PQJMHMKRZWCDRN-UHFFFAOYSA-N 0 0 236.296 2.543 50 0 BFAARN c1ccc(CCO[C@@H]2CCCCO2)cc1 ZINC000006096213 183394535 /nfs/dbraw/zinc/39/45/35/183394535.db2.gz YTSCAWRTSJUGJL-CYBMUJFWSA-N 0 0 206.285 2.772 50 0 BFAARN CCCOC(=O)c1cc2ccccc2[nH]1 ZINC000032668029 169300529 /nfs/dbraw/zinc/30/05/29/169300529.db2.gz MZWKEVABVGDUFJ-UHFFFAOYSA-N 0 0 203.241 2.735 50 0 BFAARN CCCOCc1ccc(O)c2ncccc12 ZINC000002269592 169309441 /nfs/dbraw/zinc/30/94/41/169309441.db2.gz DQZHKQYVEGZFRE-UHFFFAOYSA-N 0 0 217.268 2.867 50 0 BFAARN CCCOC[C@H](C)OC(=O)c1ccccc1 ZINC000003122397 169310128 /nfs/dbraw/zinc/31/01/28/169310128.db2.gz MKFCIVQLIHXEON-NSHDSACASA-N 0 0 222.284 2.659 50 0 BFAARN CCCOc1c(F)cc(O)cc1Cl ZINC000261493835 169313616 /nfs/dbraw/zinc/31/36/16/169313616.db2.gz KFGXJLZWPLWYBJ-UHFFFAOYSA-N 0 0 204.628 2.974 50 0 BFAARN CCCOc1cc(Br)ccc1CO ZINC000037025630 169313679 /nfs/dbraw/zinc/31/36/79/169313679.db2.gz DTPPBAPKRNLWJG-UHFFFAOYSA-N 0 0 245.116 2.730 50 0 BFAARN CCCOc1c(Cl)cc(C=O)cc1OC ZINC000002767733 169313833 /nfs/dbraw/zinc/31/38/33/169313833.db2.gz ZBXJCSOGXRWPJJ-UHFFFAOYSA-N 0 0 228.675 2.950 50 0 BFAARN CCCOc1ccc(Cn2nc(C)nc2C)cc1 ZINC000095453254 169319554 /nfs/dbraw/zinc/31/95/54/169319554.db2.gz PNKDAQSXTHXFHL-UHFFFAOYSA-N 0 0 245.326 2.732 50 0 BFAARN c1ccc2oc(NC[C@@H]3CCCOC3)nc2c1 ZINC000038046228 183461301 /nfs/dbraw/zinc/46/13/01/183461301.db2.gz OJEJRYUCEFSALZ-JTQLQIEISA-N 0 0 232.283 2.666 50 0 BFAARN c1nc(SCc2nc3ccccc3s2)n[nH]1 ZINC000006455406 183462546 /nfs/dbraw/zinc/46/25/46/183462546.db2.gz PPGFELFQDRXZGM-UHFFFAOYSA-N 0 0 248.336 2.707 50 0 BFAARN CCCOc1cccc(-c2nnc(N)s2)c1 ZINC000002305830 169324385 /nfs/dbraw/zinc/32/43/85/169324385.db2.gz KIYCJASHWBQCPR-UHFFFAOYSA-N 0 0 235.312 2.576 50 0 BFAARN c1cc(CSc2ncnc3ccccc32)on1 ZINC000009254123 183440042 /nfs/dbraw/zinc/44/00/42/183440042.db2.gz BQJSUFTZRNSENT-UHFFFAOYSA-N 0 0 243.291 2.910 50 0 BFAARN CCC[C@@H](C)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000036988154 169367265 /nfs/dbraw/zinc/36/72/65/169367265.db2.gz LWEMKKALZMPTTA-SNVBAGLBSA-N 0 0 204.317 2.773 50 0 BFAARN CCC[C@@H](C)NC(=O)c1ccc(N(C)C)cc1 ZINC000000441757 169368925 /nfs/dbraw/zinc/36/89/25/169368925.db2.gz NDBWOJGRXJSTER-LLVKDONJSA-N 0 0 234.343 2.671 50 0 BFAARN CCC[C@@H](C)C(=O)NCc1ccccc1 ZINC000000030706 169350796 /nfs/dbraw/zinc/35/07/96/169350796.db2.gz GFVPUIVHIRNQGT-LLVKDONJSA-N 0 0 205.301 2.739 50 0 biogenic BFAARN CCC[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000004197084 169352835 /nfs/dbraw/zinc/35/28/35/169352835.db2.gz RWVDXCQFPYWMPK-SNVBAGLBSA-N 0 0 249.310 2.833 50 0 BFAARN c1coc(CCNc2ncnc3sccc32)c1 ZINC000009255968 183505775 /nfs/dbraw/zinc/50/57/75/183505775.db2.gz DGDKRTZYAIZKMS-UHFFFAOYSA-N 0 0 245.307 2.939 50 0 BFAARN c1csc(CNc2ncnc3c2CCC3)c1 ZINC000061276697 183520441 /nfs/dbraw/zinc/52/04/41/183520441.db2.gz RTGVRLJQUYSODW-UHFFFAOYSA-N 0 0 231.324 2.639 50 0 BFAARN c1csc([C@H]2NCc3ccccc3N2)c1 ZINC000068708826 183524372 /nfs/dbraw/zinc/52/43/72/183524372.db2.gz MCPBTXHPLCKQIC-LBPRGKRZSA-N 0 0 216.309 2.962 50 0 BFAARN CC(C)(C)OC(=O)N1Cc2cccc(C=O)c2C1 ZINC000044137574 166658954 /nfs/dbraw/zinc/65/89/54/166658954.db2.gz YCQIZFKFFNQEMM-UHFFFAOYSA-N 0 0 247.294 2.750 50 0 BFAARN CCC[C@H]1SCCN1C(=O)C1CC=CC1 ZINC000095400189 169539919 /nfs/dbraw/zinc/53/99/19/169539919.db2.gz UPKYSJHYKBDBAQ-LLVKDONJSA-N 0 0 225.357 2.654 50 0 BFAARN CCCc1nnnn1Cc1c(C)cc(C)cc1C ZINC000068069193 169600370 /nfs/dbraw/zinc/60/03/70/169600370.db2.gz GUHQBRCWBHTXMR-UHFFFAOYSA-N 0 0 244.342 2.599 50 0 BFAARN CCCn1cc(NC(=O)/C=C\c2ccco2)cn1 ZINC000096431425 169620881 /nfs/dbraw/zinc/62/08/81/169620881.db2.gz IMOFJGWJTHJBNE-WAYWQWQTSA-N 0 0 245.282 2.538 50 0 BFAARN CCN(C(=O)c1ccccn1)C1CCCCC1 ZINC000032902885 169659410 /nfs/dbraw/zinc/65/94/10/169659410.db2.gz KZAQXGDZXTXQTE-UHFFFAOYSA-N 0 0 232.327 2.876 50 0 BFAARN CCN(C(C)=O)C(=O)Nc1ccc(Cl)cc1 ZINC000000400465 169663646 /nfs/dbraw/zinc/66/36/46/169663646.db2.gz RKSBZTLNZPUAQM-UHFFFAOYSA-N 0 0 240.690 2.740 50 0 BFAARN CC[C@](C)(CCO)NC(=O)C1CCCCCC1 ZINC000226534131 134364312 /nfs/dbraw/zinc/36/43/12/134364312.db2.gz WEVMEGAFGDRCNF-CQSZACIVSA-N 0 0 241.375 2.624 50 0 BFAARN O=C(OCc1ccccn1)c1ccc(Cl)o1 ZINC000060741770 383827003 /nfs/dbraw/zinc/82/70/03/383827003.db2.gz HZWYTWRHDBPCQL-UHFFFAOYSA-N 0 0 237.642 2.685 50 0 BFAARN CC(=O)c1cccc(NC(=O)c2cccnc2)c1 ZINC000000035864 383819233 /nfs/dbraw/zinc/81/92/33/383819233.db2.gz VLNZENGMOKSDAH-UHFFFAOYSA-N 0 0 240.262 2.537 50 0 BFAARN CC(=O)Nc1ccc(F)cc1Br ZINC000000056843 383822119 /nfs/dbraw/zinc/82/21/19/383822119.db2.gz JAVSBNOXENOHEI-UHFFFAOYSA-N 0 0 232.052 2.547 50 0 BFAARN Cc1ccc([C@@H]2NC(=O)Cc3ccccc32)cc1 ZINC000000077272 383823398 /nfs/dbraw/zinc/82/33/98/383823398.db2.gz CPWIHCKLMQQZOX-INIZCTEOSA-N 0 0 237.302 2.757 50 0 BFAARN Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000000089270 383825114 /nfs/dbraw/zinc/82/51/14/383825114.db2.gz FBIPRWDBYYCKHA-UHFFFAOYSA-N 0 0 235.356 2.588 50 0 BFAARN Cc1ccnc(NC(=O)c2cccc(F)c2)c1 ZINC000000168489 383838063 /nfs/dbraw/zinc/83/80/63/383838063.db2.gz XNNVQNJRPCTGNB-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN O=C1NC[C@H](c2ccccc2)Oc2ccccc21 ZINC000000173742 383838104 /nfs/dbraw/zinc/83/81/04/383838104.db2.gz UADLSBYXTMUWIV-CQSZACIVSA-N 0 0 239.274 2.550 50 0 BFAARN Cc1noc(C)c1Cc1ccc(O)cc1 ZINC000000169867 383838440 /nfs/dbraw/zinc/83/84/40/383838440.db2.gz JIQYQBSFMDEVIJ-UHFFFAOYSA-N 0 0 203.241 2.588 50 0 BFAARN O=Cc1[nH]c(-c2ccccc2)nc1Cl ZINC000000167414 383839015 /nfs/dbraw/zinc/83/90/15/383839015.db2.gz CCXUATWKEDQRMP-UHFFFAOYSA-N 0 0 206.632 2.543 50 0 BFAARN CC(=O)Nc1ccc(Br)c(C)c1 ZINC000000171287 383839319 /nfs/dbraw/zinc/83/93/19/383839319.db2.gz BYZHUFNLXFFINU-UHFFFAOYSA-N 0 0 228.089 2.716 50 0 BFAARN COC(=O)c1ccc(Cl)cc1Cl ZINC000000166450 383839566 /nfs/dbraw/zinc/83/95/66/383839566.db2.gz VCRWILYAWSRHBN-UHFFFAOYSA-N 0 0 205.040 2.780 50 0 BFAARN O=Cc1cccn1-c1ccc(Cl)cc1 ZINC000000165455 383839719 /nfs/dbraw/zinc/83/97/19/383839719.db2.gz NNQOVJLQFYROBU-UHFFFAOYSA-N 0 0 205.644 2.943 50 0 BFAARN CC(=O)NC1([C@@H]2CCCCC2=O)CCCCC1 ZINC000000190537 383842537 /nfs/dbraw/zinc/84/25/37/383842537.db2.gz OGKWIIQZJMKHDJ-GFCCVEGCSA-N 0 0 237.343 2.585 50 0 BFAARN Cc1nc(N)sc1Cc1c(F)cccc1F ZINC000035250891 383843835 /nfs/dbraw/zinc/84/38/35/383843835.db2.gz OZIXSCGUSYBIEX-UHFFFAOYSA-N 0 0 240.278 2.903 50 0 BFAARN Cc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000000241254 383844585 /nfs/dbraw/zinc/84/45/85/383844585.db2.gz QIULRTIURUDCGH-UHFFFAOYSA-N 0 0 225.291 2.925 50 0 BFAARN Nc1nccc(-c2ccc(-c3ccccc3)nc2)n1 ZINC000066054600 383845657 /nfs/dbraw/zinc/84/56/57/383845657.db2.gz RNOAEUXTBUAPAZ-UHFFFAOYSA-N 0 0 248.289 2.788 50 0 BFAARN COC(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000035234449 383845896 /nfs/dbraw/zinc/84/58/96/383845896.db2.gz WYXZSFZLTLCERD-UHFFFAOYSA-N 0 0 236.658 2.517 50 0 BFAARN Cc1cccc(NC(=O)c2cccc(F)c2)n1 ZINC000000258827 383846646 /nfs/dbraw/zinc/84/66/46/383846646.db2.gz PTDBRCLMCMYMHI-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN COc1ccccc1NC(=O)/C=C/c1ccco1 ZINC000000264060 383848870 /nfs/dbraw/zinc/84/88/70/383848870.db2.gz DSLKZOZKZHXIRE-CMDGGOBGSA-N 0 0 243.262 2.940 50 0 BFAARN CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000000295651 383849677 /nfs/dbraw/zinc/84/96/77/383849677.db2.gz DRRCKKJEBGEBGR-ZETCQYMHSA-N 0 0 242.116 2.646 50 0 BFAARN Cc1ccc(C(=O)NCc2cccnc2)cc1C ZINC000000288410 383851983 /nfs/dbraw/zinc/85/19/83/383851983.db2.gz ABYVIWMLLJVBQC-UHFFFAOYSA-N 0 0 240.306 2.628 50 0 BFAARN O=Cc1ccc(OC(=O)c2cccc(F)c2)cc1 ZINC000000319740 383853067 /nfs/dbraw/zinc/85/30/67/383853067.db2.gz RBSATZHUGWVUOQ-UHFFFAOYSA-N 0 0 244.221 2.857 50 0 BFAARN CN(Cc1ccccc1N)C(=O)c1cccs1 ZINC000035360697 383854231 /nfs/dbraw/zinc/85/42/31/383854231.db2.gz UXUQMPQPRZWNDC-UHFFFAOYSA-N 0 0 246.335 2.603 50 0 BFAARN COC[C@@H](C)NC(=O)c1cccc2ccccc21 ZINC000022624407 383854352 /nfs/dbraw/zinc/85/43/52/383854352.db2.gz VVEOUAWLHUEOGD-LLVKDONJSA-N 0 0 243.306 2.605 50 0 BFAARN Fc1nccc(Br)c1Cl ZINC000035569356 383857842 /nfs/dbraw/zinc/85/78/42/383857842.db2.gz UMQBGWKWOLRROL-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN CCn1ccc(C(=O)Nc2ccccc2Cl)n1 ZINC000000372338 383860038 /nfs/dbraw/zinc/86/00/38/383860038.db2.gz IVSJEDNCUDARPJ-UHFFFAOYSA-N 0 0 249.701 2.809 50 0 BFAARN CC(=O)n1c2ccccc2c2c1C(=O)CCC2 ZINC000000393073 383861826 /nfs/dbraw/zinc/86/18/26/383861826.db2.gz MIGJEXKBUJPKJF-UHFFFAOYSA-N 0 0 227.263 2.820 50 0 in-vivo BFAARN CC(=O)Nc1ccc2c(c1)Cc1cc(N)ccc1-2 ZINC000000393815 383863343 /nfs/dbraw/zinc/86/33/43/383863343.db2.gz ZGXXXAPHAKMYLA-UHFFFAOYSA-N 0 0 238.290 2.798 50 0 BFAARN CC(C)CCOC(=O)c1ccc(N(C)C)cc1 ZINC000000395573 383864200 /nfs/dbraw/zinc/86/42/00/383864200.db2.gz OFSAUHSCHWRZKM-UHFFFAOYSA-N 0 0 235.327 2.956 50 0 BFAARN O=C(Nc1nccs1)NC1CCCCC1 ZINC000000401699 383864241 /nfs/dbraw/zinc/86/42/41/383864241.db2.gz QJIPEUZRZQIFSN-UHFFFAOYSA-N 0 0 225.317 2.597 50 0 BFAARN C[C@]1(c2ccc(Cl)cc2)CCOCO1 ZINC000000410051 383865953 /nfs/dbraw/zinc/86/59/53/383865953.db2.gz QAGPRQYGZQGOFH-LLVKDONJSA-N 0 0 212.676 2.950 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(C)c(C)c2)no1 ZINC000000426270 383866180 /nfs/dbraw/zinc/86/61/80/383866180.db2.gz OHRBAZHQYKUODU-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN C1CSCCSCCSCCS1 ZINC000000409256 383866296 /nfs/dbraw/zinc/86/62/96/383866296.db2.gz MULBAFLKPUVJKC-UHFFFAOYSA-N 0 0 240.484 2.933 50 0 in-vitro BFAARN O=C(COC(=O)c1ccccc1)c1cccs1 ZINC000000443462 383868269 /nfs/dbraw/zinc/86/82/69/383868269.db2.gz WTRJBRYIHAPCFN-UHFFFAOYSA-N 0 0 246.287 2.788 50 0 BFAARN CCC[C@H](C)NC(=O)Cc1ccccc1OC ZINC000000441753 383868293 /nfs/dbraw/zinc/86/82/93/383868293.db2.gz RLHIJPHMKYMAJF-NSHDSACASA-N 0 0 235.327 2.543 50 0 BFAARN O=Cc1cc(OCc2ccccc2)ccc1O ZINC000000447867 383868706 /nfs/dbraw/zinc/86/87/06/383868706.db2.gz QIQZAISWDRNIFG-UHFFFAOYSA-N 0 0 228.247 2.784 50 0 BFAARN CCn1ccc(C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000000467321 383868737 /nfs/dbraw/zinc/86/87/37/383868737.db2.gz LRILOTQMRQWMOA-UHFFFAOYSA-N 0 0 243.310 2.772 50 0 BFAARN CNc1ccccc1C(=O)NCc1ccccc1 ZINC000000556149 383874697 /nfs/dbraw/zinc/87/46/97/383874697.db2.gz ZZBQSMGHRZEZIB-UHFFFAOYSA-N 0 0 240.306 2.658 50 0 BFAARN COc1cc(N)ccc1NC(=O)c1ccccc1 ZINC000000570010 383875450 /nfs/dbraw/zinc/87/54/50/383875450.db2.gz CBJLTJSNVSPCNO-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN Cc1ccc(C)c(C(=O)Nc2cccnc2)c1 ZINC000000514763 383875656 /nfs/dbraw/zinc/87/56/56/383875656.db2.gz PFUNGNMQHQQBJX-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1cc(C)cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000000614070 383877022 /nfs/dbraw/zinc/87/70/22/383877022.db2.gz FLSVENHLGXMUBV-STQMWFEESA-N 0 0 247.338 2.553 50 0 BFAARN Nc1nocc1-c1ccc(Br)cc1 ZINC000000612612 383877367 /nfs/dbraw/zinc/87/73/67/383877367.db2.gz BKBOFWOEZSVZBW-UHFFFAOYSA-N 0 0 239.072 2.686 50 0 BFAARN CC1=NN(C(=O)Cc2ccccc2)C(C)(C)C1 ZINC000000128870 383830715 /nfs/dbraw/zinc/83/07/15/383830715.db2.gz WTZPJBRUTHYXHS-UHFFFAOYSA-N 0 0 230.311 2.616 50 0 BFAARN CC(C)C(=N)NC(=S)Nc1ccccc1 ZINC000000127408 383830842 /nfs/dbraw/zinc/83/08/42/383830842.db2.gz JNCUAFFWZFAWFW-UHFFFAOYSA-N 0 0 221.329 2.606 50 0 BFAARN COc1cc(Br)c(OC)cc1C ZINC000000135409 383833576 /nfs/dbraw/zinc/83/35/76/383833576.db2.gz YDRBZEYUYXQONG-UHFFFAOYSA-N 0 0 231.089 2.775 50 0 BFAARN O=Cc1c[nH]c2c1c(F)c(F)c(F)c2F ZINC000000154005 383835198 /nfs/dbraw/zinc/83/51/98/383835198.db2.gz BHGCCJJOMNIVOA-UHFFFAOYSA-N 0 0 217.121 2.537 50 0 BFAARN CCC(CC)[C@@H](O)C[C@H](O)CC(C)C ZINC000001655719 383918204 /nfs/dbraw/zinc/91/82/04/383918204.db2.gz MPURTQWGOYOLEZ-NEPJUHHUSA-N 0 0 202.338 2.581 50 0 BFAARN CC(C)(C)c1ccc2c(c1)C(=O)CCO2 ZINC000036928554 383920196 /nfs/dbraw/zinc/92/01/96/383920196.db2.gz WIHDZXWBSWGOEX-UHFFFAOYSA-N 0 0 204.269 2.949 50 0 BFAARN CCCC(=O)Nc1cc(F)ccc1-n1cccn1 ZINC000071882796 383891737 /nfs/dbraw/zinc/89/17/37/383891737.db2.gz CIYLIPAXDHGYAV-UHFFFAOYSA-N 0 0 247.273 2.750 50 0 BFAARN O=Cc1cccc2c1cnn2[C@@H]1CCCCO1 ZINC000088267301 383892393 /nfs/dbraw/zinc/89/23/93/383892393.db2.gz WHYXQPGHZDUOAZ-ZDUSSCGKSA-N 0 0 230.267 2.548 50 0 BFAARN Cn1ncn(-c2ccc(Cl)cc2)c1=S ZINC000001402569 383896710 /nfs/dbraw/zinc/89/67/10/383896710.db2.gz AYWXOLOQRAUPAT-UHFFFAOYSA-N 0 0 225.704 2.594 50 0 BFAARN O=C(Nc1nccs1)[C@H]1C[C@H]1c1ccccc1 ZINC000000196538 383897402 /nfs/dbraw/zinc/89/74/02/383897402.db2.gz ZOOMNALRJFPRHO-QWRGUYRKSA-N 0 0 244.319 2.885 50 0 BFAARN Cc1ccc(C)c(NC2CCOCC2)c1 ZINC000036304105 383897607 /nfs/dbraw/zinc/89/76/07/383897607.db2.gz HLTYDNBBVRCSNF-UHFFFAOYSA-N 0 0 205.301 2.894 50 0 BFAARN O=C(Nc1nccs1)[C@@H]1C[C@H]1c1ccccc1 ZINC000000196534 383898063 /nfs/dbraw/zinc/89/80/63/383898063.db2.gz ZOOMNALRJFPRHO-WDEREUQCSA-N 0 0 244.319 2.885 50 0 BFAARN CC(=O)c1cc(C(F)(F)F)ccc1O ZINC000036420617 383901799 /nfs/dbraw/zinc/90/17/99/383901799.db2.gz BRSHLOIZDJDEPI-UHFFFAOYSA-N 0 0 204.147 2.614 50 0 BFAARN Cc1cc(Br)c(N)cc1Cl ZINC000001508461 383902243 /nfs/dbraw/zinc/90/22/43/383902243.db2.gz ULCBEYQOSOVMMA-UHFFFAOYSA-N 0 0 220.497 2.993 50 0 BFAARN Cc1n[nH]c2cccc(Br)c12 ZINC000036533416 383903354 /nfs/dbraw/zinc/90/33/54/383903354.db2.gz QLPNZDSBEQBVBD-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN C=Cc1ccc(COC(=O)C(F)(F)F)cc1 ZINC000002572045 383978690 /nfs/dbraw/zinc/97/86/90/383978690.db2.gz XIUWQGVPNPHEOI-UHFFFAOYSA-N 0 0 230.185 2.935 50 0 BFAARN O=Cc1cccn1-c1cccc(Cl)c1 ZINC000002582734 383981549 /nfs/dbraw/zinc/98/15/49/383981549.db2.gz UOEPODIXYXIDCC-UHFFFAOYSA-N 0 0 205.644 2.943 50 0 BFAARN CC(=O)c1ccc(Cc2cnc(N)s2)cc1 ZINC000002706874 383984439 /nfs/dbraw/zinc/98/44/39/383984439.db2.gz QILUUSGYHLELNJ-UHFFFAOYSA-N 0 0 232.308 2.519 50 0 BFAARN FC(F)(F)[C@H]1C[C@@H](C2CC2)Nc2ccnn21 ZINC000002766448 383987838 /nfs/dbraw/zinc/98/78/38/383987838.db2.gz LDDDMXZXZTZPGS-JGVFFNPUSA-N 0 0 231.221 2.581 50 0 BFAARN COc1c(F)cc(-c2ncc[nH]2)cc1Cl ZINC000067691915 383937046 /nfs/dbraw/zinc/93/70/46/383937046.db2.gz MFIFESWYYAVLAV-UHFFFAOYSA-N 0 0 226.638 2.878 50 0 BFAARN O=Cc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000003160468 383999818 /nfs/dbraw/zinc/99/98/18/383999818.db2.gz JCYUVFOJNQNFQF-UHFFFAOYSA-N 0 0 240.258 2.856 50 0 BFAARN OC(Cc1ccccc1)Cc1ccccc1 ZINC000001848529 383939223 /nfs/dbraw/zinc/93/92/23/383939223.db2.gz CDLPUTDLLBHWRA-UHFFFAOYSA-N 0 0 212.292 2.833 50 0 BFAARN Cc1csc(NC(=O)OCC(F)(F)F)n1 ZINC000068584995 384000167 /nfs/dbraw/zinc/00/01/67/384000167.db2.gz JMLRQPBJFHTAIT-UHFFFAOYSA-N 0 0 240.206 2.562 50 0 BFAARN CC[C@H](C)c1ccccc1OC(=O)NC ZINC000002038417 383946344 /nfs/dbraw/zinc/94/63/44/383946344.db2.gz DIRFUJHNVNOBMY-VIFPVBQESA-N 0 0 207.273 2.918 50 0 in-vitro BFAARN Nc1nnc(-c2ccc(F)c(Cl)c2)s1 ZINC000067799744 383947023 /nfs/dbraw/zinc/94/70/23/383947023.db2.gz OLJGSHPMCJDEDS-UHFFFAOYSA-N 0 0 229.667 2.580 50 0 BFAARN c1c(CNc2ccccc2)nc2ccccn12 ZINC000000229993 383948000 /nfs/dbraw/zinc/94/80/00/383948000.db2.gz GCXYJQHMUUIXGL-UHFFFAOYSA-N 0 0 223.279 2.946 50 0 BFAARN CC(C)C[C@@H](C)NC(=O)COc1ccccc1 ZINC000002065854 383948863 /nfs/dbraw/zinc/94/88/63/383948863.db2.gz ZHMVUQYGYFVSON-GFCCVEGCSA-N 0 0 235.327 2.616 50 0 BFAARN CCCCNC(=O)Nc1cccc(OC)c1 ZINC000002171142 383954368 /nfs/dbraw/zinc/95/43/68/383954368.db2.gz QYDUCQLISBYQLF-UHFFFAOYSA-N 0 0 222.288 2.617 50 0 BFAARN CN(C)c1cccc(Br)c1 ZINC000002168833 383954839 /nfs/dbraw/zinc/95/48/39/383954839.db2.gz USEXQPWLCGBYNT-UHFFFAOYSA-N 0 0 200.079 2.515 50 0 in-vitro BFAARN COc1ncccc1-c1ccc(O)c(C(C)=O)c1 ZINC000067967157 383961933 /nfs/dbraw/zinc/96/19/33/383961933.db2.gz DJZRNZYYVWXBGH-UHFFFAOYSA-N 0 0 243.262 2.665 50 0 BFAARN CC[C@@H](C)c1nc2c[nH]n(CC(C)C)c-2n1 ZINC000067975438 383966425 /nfs/dbraw/zinc/96/64/25/383966425.db2.gz XEBLNEVLKBRTNN-SECBINFHSA-N 0 0 220.320 2.929 50 0 BFAARN Cc1nc(COC(=O)c2cccnc2)c(C)s1 ZINC000091755959 383968392 /nfs/dbraw/zinc/96/83/92/383968392.db2.gz QUHPPORIQMHNCP-UHFFFAOYSA-N 0 0 248.307 2.512 50 0 BFAARN COC(=O)c1cc(C)ccc1Br ZINC000002516932 383969556 /nfs/dbraw/zinc/96/95/56/383969556.db2.gz PYRAZCQFEMNXJA-UHFFFAOYSA-N 0 0 229.073 2.544 50 0 BFAARN CCc1ccc(I)cc1 ZINC000002528201 383971794 /nfs/dbraw/zinc/97/17/94/383971794.db2.gz OOLSRHZMXAYDFB-UHFFFAOYSA-N 0 0 232.064 2.854 50 0 BFAARN CC(=O)c1ccc(F)cc1Br ZINC000002555158 383973864 /nfs/dbraw/zinc/97/38/64/383973864.db2.gz RCXFSBRMWBFWMH-UHFFFAOYSA-N 0 0 217.037 2.791 50 0 in-vitro BFAARN CC[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000089960841 384016384 /nfs/dbraw/zinc/01/63/84/384016384.db2.gz UTPAMPCZUPJVAO-SNVBAGLBSA-N 0 0 210.346 2.781 50 0 BFAARN O=C(c1ccccn1)N1CCC2(C1)CCCCC2 ZINC000089878930 384003496 /nfs/dbraw/zinc/00/34/96/384003496.db2.gz HBVZYNSTKIHMBL-UHFFFAOYSA-N 0 0 244.338 2.878 50 0 BFAARN COCCn1c(=S)[nH]c2cc(Cl)ccc21 ZINC000003342671 384005423 /nfs/dbraw/zinc/00/54/23/384005423.db2.gz CDZARKBHQKMWFV-UHFFFAOYSA-N 0 0 242.731 2.999 50 0 BFAARN Cc1ccc(C(=O)Nc2nccs2)s1 ZINC000003410192 384007826 /nfs/dbraw/zinc/00/78/26/384007826.db2.gz LJHKKHFSZGKOKA-UHFFFAOYSA-N 0 0 224.310 2.765 50 0 BFAARN Cc1c2c(cc(C=O)c1C)CC(C)(C)O2 ZINC000068675297 384008632 /nfs/dbraw/zinc/00/86/32/384008632.db2.gz ILWRQPNJTLCDJN-UHFFFAOYSA-N 0 0 204.269 2.829 50 0 BFAARN CC(=O)c1cccc(OCC(F)F)c1 ZINC000037755993 384010362 /nfs/dbraw/zinc/01/03/62/384010362.db2.gz DMKOIFPLSYDILW-UHFFFAOYSA-N 0 0 200.184 2.533 50 0 BFAARN CCc1ccc([C@H](C)NC(=O)[C@H]2CCCO2)cc1 ZINC000006698189 384013350 /nfs/dbraw/zinc/01/33/50/384013350.db2.gz CRKWRKJYTWXEFR-SMDDNHRTSA-N 0 0 247.338 2.605 50 0 BFAARN Cc1nc(-c2cccc(CO)c2)cs1 ZINC000004200650 384044027 /nfs/dbraw/zinc/04/40/27/384044027.db2.gz KDZJEQBWBSZOEG-UHFFFAOYSA-N 0 0 205.282 2.611 50 0 BFAARN COC(=O)c1cccc(-c2csc(C)n2)c1 ZINC000004200651 384044812 /nfs/dbraw/zinc/04/48/12/384044812.db2.gz MLILPQRJIOVKFH-UHFFFAOYSA-N 0 0 233.292 2.905 50 0 BFAARN Cc1nc(-c2cccc(Cl)c2)[nH]c(=O)c1C ZINC000037947668 384046106 /nfs/dbraw/zinc/04/61/06/384046106.db2.gz WRSDRBAUGSJEBN-UHFFFAOYSA-N 0 0 234.686 2.707 50 0 BFAARN c1ccc(CNc2nc3ccccc3o2)nc1 ZINC000037979802 384050420 /nfs/dbraw/zinc/05/04/20/384050420.db2.gz XNMHMFQXUBWEOY-UHFFFAOYSA-N 0 0 225.251 2.835 50 0 BFAARN CC(C)Cc1ccc(-c2cc(N)n[nH]2)cc1 ZINC000004243220 384050885 /nfs/dbraw/zinc/05/08/85/384050885.db2.gz KQJFZAKQQVPXDJ-UHFFFAOYSA-N 0 0 215.300 2.857 50 0 BFAARN CCN(CC)c1nc(Cl)nc2cccnc21 ZINC000090450284 384051295 /nfs/dbraw/zinc/05/12/95/384051295.db2.gz BVRSXOHTYPPHOK-UHFFFAOYSA-N 0 0 236.706 2.524 50 0 BFAARN CCOc1cc(C=O)c(Br)cc1C ZINC000114355568 384032080 /nfs/dbraw/zinc/03/20/80/384032080.db2.gz FUKUBLDYCHWDOM-UHFFFAOYSA-N 0 0 243.100 2.969 50 0 BFAARN O=C1O[C@H](c2ccccc2)C(Cl)=C1Cl ZINC000004085447 384039103 /nfs/dbraw/zinc/03/91/03/384039103.db2.gz DCZUHULHKRPPLT-SECBINFHSA-N 0 0 229.062 2.974 50 0 BFAARN CC(C)(C)OC(=O)n1ccc2ncccc21 ZINC000114529371 384041686 /nfs/dbraw/zinc/04/16/86/384041686.db2.gz AEOODQOVWXMMNU-UHFFFAOYSA-N 0 0 218.256 2.820 50 0 BFAARN CC1(C)O[C@H]2CCC=C(Br)[C@H]2O1 ZINC000004146880 384042661 /nfs/dbraw/zinc/04/26/61/384042661.db2.gz BNLUNMGTGCQECR-JGVFFNPUSA-N 0 0 233.105 2.579 50 0 BFAARN Cc1ccc(C(=O)c2ccc(F)cc2)nc1 ZINC000038363828 384083699 /nfs/dbraw/zinc/08/36/99/384083699.db2.gz WKWGDKVWXMRANV-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN COC(=O)c1cc(Cl)c2cc(F)ccc2n1 ZINC000038537302 384085577 /nfs/dbraw/zinc/08/55/77/384085577.db2.gz CXAWNDWONHOZNO-UHFFFAOYSA-N 0 0 239.633 2.814 50 0 BFAARN C[S@](=O)c1scc2c1C(=O)CC(C)(C)C2 ZINC000004350285 384059268 /nfs/dbraw/zinc/05/92/68/384059268.db2.gz LBCVKVVVAUJYPO-OAHLLOKOSA-N 0 0 242.365 2.641 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)c2cccnc2)cc1 ZINC000004656425 384071632 /nfs/dbraw/zinc/07/16/32/384071632.db2.gz WYKGFYKQTNUAHP-LBPRGKRZSA-N 0 0 240.306 2.881 50 0 BFAARN CC(C)(C)OC(=O)c1cc2ccccc2oc1=O ZINC000000348482 384100812 /nfs/dbraw/zinc/10/08/12/384100812.db2.gz LJCZSMJHDOEFPS-UHFFFAOYSA-N 0 0 246.262 2.748 50 0 BFAARN CC1(C)c2ccc(Br)cc2NC1=O ZINC000039151116 384108390 /nfs/dbraw/zinc/10/83/90/384108390.db2.gz DBAOYNGOQUASPE-UHFFFAOYSA-N 0 0 240.100 2.679 50 0 BFAARN CS[C@H]1CC[C@@H](Nc2nc(C)ns2)C1 ZINC000078476829 384114296 /nfs/dbraw/zinc/11/42/96/384114296.db2.gz HZBZAWXVXFZGFG-SFYZADRCSA-N 0 0 229.374 2.543 50 0 BFAARN Clc1cc2c(cnn2[C@H]2CCCCO2)cn1 ZINC000091302231 384115237 /nfs/dbraw/zinc/11/52/37/384115237.db2.gz OUIMHYFRCMWCEA-LLVKDONJSA-N 0 0 237.690 2.784 50 0 BFAARN O=C(/C=C/c1ccc(F)cc1)Nc1cccnc1 ZINC000005394893 384115604 /nfs/dbraw/zinc/11/56/04/384115604.db2.gz UTSMVXSXKGPKGV-VMPITWQZSA-N 0 0 242.253 2.873 50 0 BFAARN COC(=O)c1cncc(-c2ccc(F)cc2F)c1 ZINC000091351975 384121571 /nfs/dbraw/zinc/12/15/71/384121571.db2.gz BZTJGSHWKXFZMA-UHFFFAOYSA-N 0 0 249.216 2.813 50 0 BFAARN COCc1cccc(C(=O)N2CCCCCC2)c1 ZINC000039984362 384125159 /nfs/dbraw/zinc/12/51/59/384125159.db2.gz YCJVLOCKPPKLQK-UHFFFAOYSA-N 0 0 247.338 2.849 50 0 BFAARN Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000000362818 384130757 /nfs/dbraw/zinc/13/07/57/384130757.db2.gz FMMFCTWJMMVVOD-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN O=C(Nc1cnc2c(c1)CCC2)C1CCCC1 ZINC000257197089 384150217 /nfs/dbraw/zinc/15/02/17/384150217.db2.gz ZKTJBHGESWBXGQ-UHFFFAOYSA-N 0 0 230.311 2.699 50 0 BFAARN O=C([C@@H]1CCCO1)N1CCC[C@]2(CC=CCC2)C1 ZINC000071907713 384153678 /nfs/dbraw/zinc/15/36/78/384153678.db2.gz NKBUXDBGEDFFBY-DZGCQCFKSA-N 0 0 249.354 2.514 50 0 BFAARN COC(=O)c1ccc(Oc2ccccc2)c(N)c1 ZINC000040449043 384153715 /nfs/dbraw/zinc/15/37/15/384153715.db2.gz DLSFAHCVNTZNFC-UHFFFAOYSA-N 0 0 243.262 2.848 50 0 BFAARN O=C([C@H]1CCCO1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000071907710 384153868 /nfs/dbraw/zinc/15/38/68/384153868.db2.gz NKBUXDBGEDFFBY-HIFRSBDPSA-N 0 0 249.354 2.514 50 0 BFAARN Cc1n[n-]c(=S)n1-c1ccc(Cl)cc1 ZINC000005926994 384138775 /nfs/dbraw/zinc/13/87/75/384138775.db2.gz OWLOUYHMVYBXQJ-UHFFFAOYSA-N 0 0 225.704 2.892 50 0 BFAARN COC(=O)c1c(F)cc(Cl)cc1Cl ZINC000091692998 384139980 /nfs/dbraw/zinc/13/99/80/384139980.db2.gz NYSVGJCOIGNBSV-UHFFFAOYSA-N 0 0 223.030 2.919 50 0 BFAARN CC(=O)c1cc(C(F)(F)F)cnc1Cl ZINC000091692964 384141462 /nfs/dbraw/zinc/14/14/62/384141462.db2.gz MTURWIPCZHAYAR-UHFFFAOYSA-N 0 0 223.581 2.956 50 0 BFAARN CC(=O)NC1(c2ccccc2)CCCCC1 ZINC000070956451 384143355 /nfs/dbraw/zinc/14/33/55/384143355.db2.gz OMRCZJXEIDESNL-UHFFFAOYSA-N 0 0 217.312 2.982 50 0 BFAARN O=Cc1ccc(F)cc1OC(F)(F)F ZINC000071624484 384173193 /nfs/dbraw/zinc/17/31/93/384173193.db2.gz KZUNURBZYZYVMT-UHFFFAOYSA-N 0 0 208.110 2.537 50 0 BFAARN Cc1ccc(C(C)C)c(OCC(=O)N(C)C)c1 ZINC000006602435 384159657 /nfs/dbraw/zinc/15/96/57/384159657.db2.gz AAWJJCMNVWFAIC-UHFFFAOYSA-N 0 0 235.327 2.585 50 0 BFAARN CCc1ccc(NC(=O)c2ccn(CC)n2)cc1 ZINC000006729824 384165441 /nfs/dbraw/zinc/16/54/41/384165441.db2.gz IIKDBXLWYNSYRM-UHFFFAOYSA-N 0 0 243.310 2.718 50 0 BFAARN Cc1ccc(O[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000006845624 384168870 /nfs/dbraw/zinc/16/88/70/384168870.db2.gz RDNFVJADODBUEV-LBPRGKRZSA-N 0 0 247.338 2.821 50 0 BFAARN O=C(OCc1ccccc1)N1C=CCC1 ZINC000071773617 384177819 /nfs/dbraw/zinc/17/78/19/384177819.db2.gz ZNLOEFQSAKKFGT-UHFFFAOYSA-N 0 0 203.241 2.543 50 0 BFAARN CN(c1ccccc1)c1ccccc1NC(N)=O ZINC000071774245 384178330 /nfs/dbraw/zinc/17/83/30/384178330.db2.gz LUQARIJUDQNRNP-UHFFFAOYSA-N 0 0 241.294 2.945 50 0 BFAARN Cc1cc(C)cc(C(=O)NCc2ccco2)c1 ZINC000004705273 384182485 /nfs/dbraw/zinc/18/24/85/384182485.db2.gz YXPQIKVBXQRXOM-UHFFFAOYSA-N 0 0 229.279 2.826 50 0 BFAARN COC(=O)c1c[nH]cc1CCc1ccc(F)cc1 ZINC000071864076 384183460 /nfs/dbraw/zinc/18/34/60/384183460.db2.gz XUICAJMFKIEYTM-UHFFFAOYSA-N 0 0 247.269 2.726 50 0 BFAARN CO[C@H]1CCCC[C@@H]1OC(=O)C1CCCC1 ZINC000097404917 384203427 /nfs/dbraw/zinc/20/34/27/384203427.db2.gz RMNIRHDUCYXNFX-RYUDHWBXSA-N 0 0 226.316 2.677 50 0 BFAARN Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000042139874 384203810 /nfs/dbraw/zinc/20/38/10/384203810.db2.gz MSTBSJANDBNNFZ-NSHDSACASA-N 0 0 235.327 2.677 50 0 BFAARN Cc1nc(-c2ccc(C(N)=S)cc2)cs1 ZINC000072284429 384204156 /nfs/dbraw/zinc/20/41/56/384204156.db2.gz JKTLVEXJTGKQQK-UHFFFAOYSA-N 0 0 234.349 2.753 50 0 BFAARN Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)o1 ZINC000002772585 384186475 /nfs/dbraw/zinc/18/64/75/384186475.db2.gz TWUALTHVBQUTBA-ONGXEEELSA-N 0 0 221.300 2.897 50 0 BFAARN Cc1ccc(NCc2ccc(CO)o2)cc1 ZINC000071915081 384186820 /nfs/dbraw/zinc/18/68/20/384186820.db2.gz IUSGOMFFELBCNT-UHFFFAOYSA-N 0 0 217.268 2.692 50 0 BFAARN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NC(C)C)c1 ZINC000002773811 384187039 /nfs/dbraw/zinc/18/70/39/384187039.db2.gz QTEHVDGLFXCHPH-CYBMUJFWSA-N 0 0 249.354 2.904 50 0 BFAARN C[C@@H](Nc1ccc2cc[nH]c2n1)c1ccncn1 ZINC000072165615 384197694 /nfs/dbraw/zinc/19/76/94/384197694.db2.gz PVMALLKLEGGDKU-SECBINFHSA-N 0 0 239.282 2.526 50 0 BFAARN N[C@@H](c1ccccc1Cl)C(F)(F)F ZINC000072194728 384200596 /nfs/dbraw/zinc/20/05/96/384200596.db2.gz DLIXGNJUPCBBER-ZETCQYMHSA-N 0 0 209.598 2.902 50 0 BFAARN O=Cc1ccc(-c2ccc3c(c2)OCO3)cc1 ZINC000008729752 384212527 /nfs/dbraw/zinc/21/25/27/384212527.db2.gz LPIFQHGQMIRTBE-UHFFFAOYSA-N 0 0 226.231 2.895 50 0 BFAARN CC(C)n1ccc(Cn2ccc(C3CC3)n2)n1 ZINC000095438637 384243059 /nfs/dbraw/zinc/24/30/59/384243059.db2.gz SEGGUJAZFBAURS-UHFFFAOYSA-N 0 0 230.315 2.586 50 0 BFAARN CCONC(=O)c1cc2c(s1)CCCCC2 ZINC000022874699 384253976 /nfs/dbraw/zinc/25/39/76/384253976.db2.gz UODUCNMLOHXAGL-UHFFFAOYSA-N 0 0 239.340 2.698 50 0 BFAARN COC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000043314221 384271545 /nfs/dbraw/zinc/27/15/45/384271545.db2.gz NLVDMRDXMZXUSC-UHFFFAOYSA-N 0 0 203.241 2.571 50 0 BFAARN CC[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000000029515 384271861 /nfs/dbraw/zinc/27/18/61/384271861.db2.gz VJWRIEFAIWFTHG-VIFPVBQESA-N 0 0 227.329 2.572 50 0 BFAARN O=C(Nc1nccs1)c1c(F)cccc1F ZINC000000053071 384273180 /nfs/dbraw/zinc/27/31/80/384273180.db2.gz YBWYCZLRGBKSPS-UHFFFAOYSA-N 0 0 240.234 2.674 50 0 BFAARN CCN(CC)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000004729125 384241929 /nfs/dbraw/zinc/24/19/29/384241929.db2.gz FTDZCEDFSJFQCS-OLZOCXBDSA-N 0 0 217.312 2.659 50 0 BFAARN O=Cc1cn(-c2ccccn2)c2ccccc12 ZINC000012360229 384314246 /nfs/dbraw/zinc/31/42/46/384314246.db2.gz HXOFNACVRMTGID-UHFFFAOYSA-N 0 0 222.247 2.838 50 0 BFAARN Fc1ncccc1-c1cccnc1Cl ZINC000012359313 384314840 /nfs/dbraw/zinc/31/48/40/384314840.db2.gz XJKOECSGYQHCPP-UHFFFAOYSA-N 0 0 208.623 2.936 50 0 BFAARN CC1(C)C(C(=O)Nc2ccccn2)C1(C)C ZINC000000390407 384316609 /nfs/dbraw/zinc/31/66/09/384316609.db2.gz VPSOXTGELRMRGM-UHFFFAOYSA-N 0 0 218.300 2.702 50 0 BFAARN Cc1cc(C(=O)N2C[C@H](C)CCC[C@H]2C)no1 ZINC000133890845 384316756 /nfs/dbraw/zinc/31/67/56/384316756.db2.gz YUDWABOTLWPLJX-NXEZZACHSA-N 0 0 236.315 2.634 50 0 BFAARN Cc1ccc(S[C@@H](C)C(=O)NC2CC2)cc1 ZINC000000382649 384317026 /nfs/dbraw/zinc/31/70/26/384317026.db2.gz XKEGMAMQSXUCGO-JTQLQIEISA-N 0 0 235.352 2.754 50 0 BFAARN CC(=O)N1CCC[C@@H](Nc2ccc(C)c(C)c2)C1 ZINC000012448036 384320515 /nfs/dbraw/zinc/32/05/15/384320515.db2.gz VDHPZNOLJJSDHB-OAHLLOKOSA-N 0 0 246.354 2.726 50 0 BFAARN COC(=O)c1cc(F)ccc1C(F)(F)F ZINC000044199561 384321491 /nfs/dbraw/zinc/32/14/91/384321491.db2.gz KGDQMNVZZNCLBF-UHFFFAOYSA-N 0 0 222.137 2.631 50 0 BFAARN CCCCn1ccc(=O)c2cnc(Cl)cc21 ZINC000408525238 384289002 /nfs/dbraw/zinc/28/90/02/384289002.db2.gz QKSLXVKYVKHRNN-UHFFFAOYSA-N 0 0 236.702 2.850 50 0 BFAARN Cc1ccoc1C(=O)O[C@H](C)Cc1cccnc1 ZINC000097034383 384294044 /nfs/dbraw/zinc/29/40/44/384294044.db2.gz OSMGNHDZCGNAIB-LLVKDONJSA-N 0 0 245.278 2.771 50 0 BFAARN Cc1ccoc1C(=O)O[C@@H](C)Cc1cccnc1 ZINC000097034382 384294139 /nfs/dbraw/zinc/29/41/39/384294139.db2.gz OSMGNHDZCGNAIB-NSHDSACASA-N 0 0 245.278 2.771 50 0 BFAARN Cc1nc(SCc2ccccc2C)n[nH]1 ZINC000011709822 384295422 /nfs/dbraw/zinc/29/54/22/384295422.db2.gz YAOCRADDOOURQR-UHFFFAOYSA-N 0 0 219.313 2.714 50 0 BFAARN Cc1cc(C)cc(CNc2nncs2)c1 ZINC000083349946 384299200 /nfs/dbraw/zinc/29/92/00/384299200.db2.gz GNLARBVXCITPRZ-UHFFFAOYSA-N 0 0 219.313 2.767 50 0 BFAARN C/C=C/C=C\C(=O)Nc1ccccc1N(C)C ZINC000097044051 384300470 /nfs/dbraw/zinc/30/04/70/384300470.db2.gz HWVCWKSKDBFLMJ-QTJNYWJXSA-N 0 0 230.311 2.823 50 0 BFAARN Brc1nnc(-c2ccccc2)s1 ZINC000011920543 384302270 /nfs/dbraw/zinc/30/22/70/384302270.db2.gz NVQXBSUUWVZRCA-UHFFFAOYSA-N 0 0 241.113 2.968 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000012916166 384342021 /nfs/dbraw/zinc/34/20/21/384342021.db2.gz BEYWKICFLRGLEB-LDYMZIIASA-N 0 0 223.703 2.612 50 0 BFAARN CC(=O)c1ccc(F)c(F)c1Br ZINC000075927732 384347936 /nfs/dbraw/zinc/34/79/36/384347936.db2.gz WDLYEXHPFCIQHE-UHFFFAOYSA-N 0 0 235.027 2.930 50 0 BFAARN CCOP(=O)(Cc1ccccn1)OCC ZINC000013209107 384350361 /nfs/dbraw/zinc/35/03/61/384350361.db2.gz LJIHMNONXSBZCU-UHFFFAOYSA-N 0 0 229.216 2.848 50 0 BFAARN CC[C@H](NCc1ncc(C)o1)c1c(C)noc1C ZINC000097111194 384374057 /nfs/dbraw/zinc/37/40/57/384374057.db2.gz HLTZUDQDEFHBJE-NSHDSACASA-N 0 0 249.314 2.829 50 0 BFAARN c1ccc2c3nc(C4CCCC4)nn3cnc2c1 ZINC000097105516 384357377 /nfs/dbraw/zinc/35/73/77/384357377.db2.gz OZAGQGGUIVAYCY-UHFFFAOYSA-N 0 0 238.294 2.935 50 0 BFAARN COC(=O)c1cc(Br)c(C)cc1F ZINC000095093040 384362539 /nfs/dbraw/zinc/36/25/39/384362539.db2.gz HXRZJJNEXLYOBD-UHFFFAOYSA-N 0 0 247.063 2.683 50 0 BFAARN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccn1 ZINC000095398636 384374457 /nfs/dbraw/zinc/37/44/57/384374457.db2.gz NMLZXZFDWNQEIZ-DYEKYZERSA-N 0 0 244.338 2.875 50 0 BFAARN Cc1ccc([C@H]2Cc3n[nH]cc3C(=O)C2)s1 ZINC000095117781 384366025 /nfs/dbraw/zinc/36/60/25/384366025.db2.gz DOVCDGMZQPEKTL-QMMMGPOBSA-N 0 0 232.308 2.692 50 0 BFAARN Cc1ccc(C(=O)c2ccc(C)cn2)cc1 ZINC000045028530 384370121 /nfs/dbraw/zinc/37/01/21/384370121.db2.gz MKEDICIWPZWNIN-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN O=c1c2ccccc2sn1C[C@H]1CCCCO1 ZINC000095385544 384370575 /nfs/dbraw/zinc/37/05/75/384370575.db2.gz LGUUAXKCOSSBFN-SNVBAGLBSA-N 0 0 249.335 2.632 50 0 BFAARN Cc1ccc(C(=O)c2ccccc2F)cn1 ZINC000045029060 384371162 /nfs/dbraw/zinc/37/11/62/384371162.db2.gz ZIMSRFDOVAUWGG-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN Cc1cc(C(=O)c2ccc(F)c(F)c2)ccn1 ZINC000045038588 384372730 /nfs/dbraw/zinc/37/27/30/384372730.db2.gz CMSRNGHQVCPTRK-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN O=Cc1cnc(C(F)(F)F)cc1Cl ZINC000094986231 384327911 /nfs/dbraw/zinc/32/79/11/384327911.db2.gz FBPZVYHRKMIAKN-UHFFFAOYSA-N 0 0 209.554 2.566 50 0 BFAARN CC(C)[C@@](O)(c1ccccc1)c1ccncc1 ZINC000012653757 384331785 /nfs/dbraw/zinc/33/17/85/384331785.db2.gz UGHCUUQCWWWPCE-OAHLLOKOSA-N 0 0 227.307 2.974 50 0 BFAARN CC(C)(C)OC(=O)N1Cc2cccc(N)c2C1 ZINC000075629388 384332802 /nfs/dbraw/zinc/33/28/02/384332802.db2.gz PXJOFDSGLKGPGN-UHFFFAOYSA-N 0 0 234.299 2.520 50 0 BFAARN CC(C)(C)OC(=O)c1cc(F)c(C=O)c(F)c1 ZINC000075629548 384333068 /nfs/dbraw/zinc/33/30/68/384333068.db2.gz AZIZOEBUVZHPOJ-UHFFFAOYSA-N 0 0 242.221 2.733 50 0 BFAARN CC(F)(F)c1cccc(Br)n1 ZINC000077011991 384392403 /nfs/dbraw/zinc/39/24/03/384392403.db2.gz GGHWPUJGODNDNT-UHFFFAOYSA-N 0 0 222.032 2.956 50 0 BFAARN CCNc1ccccc1C(=O)N[C@@H](C)CC ZINC000045796172 384409682 /nfs/dbraw/zinc/40/96/82/384409682.db2.gz GGYXZFLUVSEYTR-JTQLQIEISA-N 0 0 220.316 2.647 50 0 BFAARN COC(=O)c1cccc(Br)c1Cl ZINC000095930478 384410740 /nfs/dbraw/zinc/41/07/40/384410740.db2.gz OWPJVOSLLKRKQJ-UHFFFAOYSA-N 0 0 249.491 2.889 50 0 BFAARN Cn1nc(N)c2c1cccc2Oc1ccccc1 ZINC000015020405 384415393 /nfs/dbraw/zinc/41/53/93/384415393.db2.gz WRWPMLQRWYBBLY-UHFFFAOYSA-N 0 0 239.278 2.948 50 0 BFAARN O=Cc1ccc(Cl)nc1C(F)(F)F ZINC000095961652 384418800 /nfs/dbraw/zinc/41/88/00/384418800.db2.gz OTSYHTUSHNJVSM-UHFFFAOYSA-N 0 0 209.554 2.566 50 0 BFAARN C[C@H]1COc2ccccc2N1Cc1nccs1 ZINC000135203367 384420739 /nfs/dbraw/zinc/42/07/39/384420739.db2.gz PHTJAHZPHBBQNC-JTQLQIEISA-N 0 0 246.335 2.931 50 0 BFAARN COc1cc(-c2ccc(C=O)cc2)ccc1C=O ZINC000095495523 384378359 /nfs/dbraw/zinc/37/83/59/384378359.db2.gz FHLBLDFGXYGVJH-UHFFFAOYSA-N 0 0 240.258 2.987 50 0 BFAARN C[C@H](NC(=S)NC1CCCC1)c1ccncc1 ZINC000013933163 384379325 /nfs/dbraw/zinc/37/93/25/384379325.db2.gz SCXWVJIMZWQMHJ-JTQLQIEISA-N 0 0 249.383 2.549 50 0 BFAARN Cc1ccc2ccc(Br)nc2n1 ZINC000095532019 384379406 /nfs/dbraw/zinc/37/94/06/384379406.db2.gz INKMNSPEIMOGPE-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN CCc1ccc(Br)cc1N ZINC000095635102 384384405 /nfs/dbraw/zinc/38/44/05/384384405.db2.gz LSDOCARYQOKKKP-UHFFFAOYSA-N 0 0 200.079 2.594 50 0 BFAARN Cc1ccc([C@H]2CCCC[N@@H+]2CC(=O)[O-])cc1 ZINC000237791993 384386467 /nfs/dbraw/zinc/38/64/67/384386467.db2.gz MZANCAZGBGPPPM-CYBMUJFWSA-N 0 0 233.311 2.607 50 0 BFAARN Cc1ccc(C(=O)Nc2nccs2)cc1F ZINC000014202329 384386689 /nfs/dbraw/zinc/38/66/89/384386689.db2.gz VJXCQGQMTFRSSI-UHFFFAOYSA-N 0 0 236.271 2.843 50 0 BFAARN c1ccc(OCc2nnc3n2CCCCC3)cc1 ZINC000004518196 384388025 /nfs/dbraw/zinc/38/80/25/384388025.db2.gz XECMHUREYFJTSC-UHFFFAOYSA-N 0 0 243.310 2.584 50 0 BFAARN CC(=O)c1ccccc1NC(=O)c1ccncc1 ZINC000014378998 384391024 /nfs/dbraw/zinc/39/10/24/384391024.db2.gz DUCFDYVKLQHHOW-UHFFFAOYSA-N 0 0 240.262 2.537 50 0 BFAARN FC(F)(F)c1ccc(C2N=NC(=S)N2)cc1 ZINC000015924142 384444346 /nfs/dbraw/zinc/44/43/46/384444346.db2.gz MDQUKWJCBQOBEB-UHFFFAOYSA-N 0 0 245.229 2.779 50 0 BFAARN CCC[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000015856417 384445121 /nfs/dbraw/zinc/44/51/21/384445121.db2.gz SXNGFYCOKWTRKW-UTUOFQBUSA-N 0 0 211.349 2.927 50 0 BFAARN C[C@@H](NC(=O)NCC1CC1)c1cccc(F)c1 ZINC000032909453 384449676 /nfs/dbraw/zinc/44/96/76/384449676.db2.gz QUWJUPZHNJCWLM-SECBINFHSA-N 0 0 236.290 2.596 50 0 BFAARN C[C@@H](O)[C@@H](O)C(c1ccccc1)c1ccccc1 ZINC000096319150 384453671 /nfs/dbraw/zinc/45/36/71/384453671.db2.gz UBXVULCUJFPOFQ-MLGOLLRUSA-N 0 0 242.318 2.560 50 0 BFAARN Cc1n[nH]c(C)c1-c1ccc2sc(N)nc2c1 ZINC000096162131 384440392 /nfs/dbraw/zinc/44/03/92/384440392.db2.gz BYAHRGMLEAOOBT-UHFFFAOYSA-N 0 0 244.323 2.885 50 0 BFAARN CCCC(O)(C(F)(F)F)C(F)(F)F ZINC000096179489 384440687 /nfs/dbraw/zinc/44/06/87/384440687.db2.gz MMNYCAKHZCJYDH-UHFFFAOYSA-N 0 0 210.117 2.642 50 0 BFAARN CC(C)CCO[C@@H](C)C(=O)N1CCC[C@@H](C)C1 ZINC000121856291 384441693 /nfs/dbraw/zinc/44/16/93/384441693.db2.gz QRGJPVQBQIJIBQ-OLZOCXBDSA-N 0 0 241.375 2.696 50 0 BFAARN Nc1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017105156 384479828 /nfs/dbraw/zinc/47/98/28/384479828.db2.gz YGDAKLFEIFZEOO-UHFFFAOYSA-N 0 0 230.054 2.626 50 0 BFAARN Cc1cc(C)cc(C(=O)NCCc2ccco2)c1 ZINC000017910087 384509766 /nfs/dbraw/zinc/50/97/66/384509766.db2.gz BDRKPWDZKGXPIB-UHFFFAOYSA-N 0 0 243.306 2.869 50 0 BFAARN S=C1N=NC(c2ccncc2)N1C1CCCC1 ZINC000017744232 384492472 /nfs/dbraw/zinc/49/24/72/384492472.db2.gz WKYMKHAAKPHMAD-UHFFFAOYSA-N 0 0 246.339 2.744 50 0 BFAARN O=C([O-])C[N@@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC000238155627 384517038 /nfs/dbraw/zinc/51/70/38/384517038.db2.gz OEQQCDPPRDCYRC-CYBMUJFWSA-N 0 0 239.359 2.896 50 0 BFAARN COCCc1ccc(Br)cc1 ZINC000019425539 384522362 /nfs/dbraw/zinc/52/23/62/384522362.db2.gz IVWZNFTXJKWJMJ-UHFFFAOYSA-N 0 0 215.090 2.638 50 0 BFAARN CC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000019871213 384544094 /nfs/dbraw/zinc/54/40/94/384544094.db2.gz QBBWLGIFBSASET-UHFFFAOYSA-N 0 0 232.258 2.831 50 0 BFAARN CCc1ccccc1O[C@H](C)C(=O)NC(C)C ZINC000019931416 384558736 /nfs/dbraw/zinc/55/87/36/384558736.db2.gz NZGZRLCEZPFVLY-LLVKDONJSA-N 0 0 235.327 2.541 50 0 BFAARN CC(C)n1cncc1CN(C)[C@H](C)c1ccon1 ZINC000097797456 384561551 /nfs/dbraw/zinc/56/15/51/384561551.db2.gz NGDKQZPSBMVTNA-LLVKDONJSA-N 0 0 248.330 2.645 50 0 BFAARN CC(C)(O)Cc1ccc2c(c1)CCCC2 ZINC000019780397 384538260 /nfs/dbraw/zinc/53/82/60/384538260.db2.gz ZXJUUTYDFXPVDT-UHFFFAOYSA-N 0 0 204.313 2.879 50 0 BFAARN C[C@H]([NH2+]Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000019787733 384538549 /nfs/dbraw/zinc/53/85/49/384538549.db2.gz ZVDILYWGTUOROX-LURJTMIESA-N 0 0 248.109 2.556 50 0 BFAARN C[NH+](C)CCNc1cccc(C(F)(F)F)c1 ZINC000020042332 384571038 /nfs/dbraw/zinc/57/10/38/384571038.db2.gz AICRIRMUNFSCED-UHFFFAOYSA-N 0 0 232.249 2.679 50 0 BFAARN CC(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 ZINC000020136441 384581313 /nfs/dbraw/zinc/58/13/13/384581313.db2.gz GODZSOSLSWHYLX-UHFFFAOYSA-N 0 0 245.278 2.706 50 0 BFAARN c1ccc2[nH]c(NCc3cccnc3)nc2c1 ZINC000020153768 384584985 /nfs/dbraw/zinc/58/49/85/384584985.db2.gz MBHCMZWEOUBOFS-UHFFFAOYSA-N 0 0 224.267 2.570 50 0 BFAARN Nc1ncnc2scc(-c3ccccc3)c21 ZINC000020320970 384613478 /nfs/dbraw/zinc/61/34/78/384613478.db2.gz QKUFEXGLTQADSA-UHFFFAOYSA-N 0 0 227.292 2.941 50 0 BFAARN CCC1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000100164362 384621500 /nfs/dbraw/zinc/62/15/00/384621500.db2.gz NCMYMNGYNLXKLM-UHFFFAOYSA-N 0 0 216.284 2.757 50 0 BFAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCC2CC2)o1 ZINC000043752489 384624695 /nfs/dbraw/zinc/62/46/95/384624695.db2.gz WKDRNSSPNDPGLC-ZWNOBZJWSA-N 0 0 247.338 2.862 50 0 BFAARN FC(F)(F)c1ccc(N2CCCC2)nc1 ZINC000020638213 384627327 /nfs/dbraw/zinc/62/73/27/384627327.db2.gz FZZPGIBTBJMALF-UHFFFAOYSA-N 0 0 216.206 2.701 50 0 BFAARN C[C@@H](NC(=O)c1ccnc(F)c1F)C(C)(C)C ZINC000097867036 384628717 /nfs/dbraw/zinc/62/87/17/384628717.db2.gz PBBATDZEGATSFY-SSDOTTSWSA-N 0 0 242.269 2.524 50 0 BFAARN CCCCC[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000050509095 384629724 /nfs/dbraw/zinc/62/97/24/384629724.db2.gz LLLVXYGATGWKGR-GFCCVEGCSA-N 0 0 221.300 2.592 50 0 BFAARN Cc1nnc2ccc(NC3CCCCCC3)nn12 ZINC000020732761 384630681 /nfs/dbraw/zinc/63/06/81/384630681.db2.gz JKRDBOUGPDWBKU-UHFFFAOYSA-N 0 0 245.330 2.567 50 0 BFAARN CC(C)c1cccc(N2CCCNC2=O)c1 ZINC000098096615 384593810 /nfs/dbraw/zinc/59/38/10/384593810.db2.gz RXEZRWWUXGABDK-UHFFFAOYSA-N 0 0 218.300 2.730 50 0 BFAARN CSc1ccc(N2CC[C@H]3CCCC[C@@H]32)nn1 ZINC000080972970 384598100 /nfs/dbraw/zinc/59/81/00/384598100.db2.gz IJFVEPXYQQMYHC-MNOVXSKESA-N 0 0 249.383 2.967 50 0 BFAARN CC(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000020216596 384599871 /nfs/dbraw/zinc/59/98/71/384599871.db2.gz WGNMHNCXFRDRTH-UHFFFAOYSA-N 0 0 218.231 2.522 50 0 BFAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccccn1 ZINC000020836771 384636334 /nfs/dbraw/zinc/63/63/34/384636334.db2.gz OXKJXUQNSHUJBF-LLVKDONJSA-N 0 0 238.290 2.673 50 0 BFAARN COc1ccc(Cn2cccn2)cc1Cl ZINC000095448500 384643682 /nfs/dbraw/zinc/64/36/82/384643682.db2.gz OQIZIDGDFGJNIB-UHFFFAOYSA-N 0 0 222.675 2.593 50 0 BFAARN O=C(CCCn1ccnc1)NC1CCCCCC1 ZINC000069921340 384652699 /nfs/dbraw/zinc/65/26/99/384652699.db2.gz BCFZTGSNUOOTTD-UHFFFAOYSA-N 0 0 249.358 2.502 50 0 BFAARN C[C@H](NC(=O)/C=C\c1ccc(F)cc1)C1CC1 ZINC000078478227 384710313 /nfs/dbraw/zinc/71/03/13/384710313.db2.gz GWKSMFUXOZDKGW-FWAPLPHYSA-N 0 0 233.286 2.754 50 0 BFAARN CC(C)CC(C)(C)CNC(=O)[C@@H]1CCCOC1 ZINC000081617639 384741276 /nfs/dbraw/zinc/74/12/76/384741276.db2.gz UPRRDBIFGJXPFG-GFCCVEGCSA-N 0 0 241.375 2.602 50 0 BFAARN O=C(Nc1ccccc1F)[C@@H]1CCSC1 ZINC000082324105 384742576 /nfs/dbraw/zinc/74/25/76/384742576.db2.gz YPZIWSWEJDWOKE-MRVPVSSYSA-N 0 0 225.288 2.517 50 0 BFAARN COC[C@H](C)SCc1cn2ccccc2n1 ZINC000084495905 384758413 /nfs/dbraw/zinc/75/84/13/384758413.db2.gz LCYUIECWXLAYFJ-JTQLQIEISA-N 0 0 236.340 2.602 50 0 BFAARN Cc1nc(NC(=O)c2ccc(C)nc2)sc1C ZINC000022415766 384762610 /nfs/dbraw/zinc/76/26/10/384762610.db2.gz DJBDVZXUGULZAV-UHFFFAOYSA-N 0 0 247.323 2.716 50 0 BFAARN CC(=O)N(C)c1ccc(OCC(C)C)cc1 ZINC000085264942 384770689 /nfs/dbraw/zinc/77/06/89/384770689.db2.gz HQEOHNNKVBJAFG-UHFFFAOYSA-N 0 0 221.300 2.704 50 0 BFAARN CC(C)c1ccccc1NC(=O)N1CCOCC1 ZINC000005498706 384818592 /nfs/dbraw/zinc/81/85/92/384818592.db2.gz CDSQRNRATOTYJR-UHFFFAOYSA-N 0 0 248.326 2.674 50 0 BFAARN CC(C)=CC(=O)Nc1ccc(N(C)C)cc1C ZINC000044546075 384787173 /nfs/dbraw/zinc/78/71/73/384787173.db2.gz VYNRGRNWFHHYQA-UHFFFAOYSA-N 0 0 232.327 2.966 50 0 BFAARN C[C@H](NC(=O)c1cccnc1)c1cccs1 ZINC000023079539 384787773 /nfs/dbraw/zinc/78/77/73/384787773.db2.gz WOGNOWISQCBQIW-VIFPVBQESA-N 0 0 232.308 2.634 50 0 BFAARN CC(C)(C)OC(=O)N1C(=O)[C@H]2CCCC[C@]21C ZINC000083811595 384798036 /nfs/dbraw/zinc/79/80/36/384798036.db2.gz FGAZTICMZUHRCA-NOZJJQNGSA-N 0 0 239.315 2.713 50 0 BFAARN CCc1nn(C)cc1-c1cc(OC)ccc1OC ZINC000426434168 384803986 /nfs/dbraw/zinc/80/39/86/384803986.db2.gz WHZOMXARWIWNMO-UHFFFAOYSA-N 0 0 246.310 2.667 50 0 BFAARN CC(=O)c1cccc(Br)c1C ZINC000084478643 384869902 /nfs/dbraw/zinc/86/99/02/384869902.db2.gz LBNWYNIGDUWAOQ-UHFFFAOYSA-N 0 0 213.074 2.960 50 0 BFAARN Cc1ccc(C(=O)NCc2ccc(F)c(C)c2)o1 ZINC000010999743 384858380 /nfs/dbraw/zinc/85/83/80/384858380.db2.gz DRDSUGZAFSJMFB-UHFFFAOYSA-N 0 0 247.269 2.966 50 0 BFAARN O=Cc1cc(Br)c(F)cc1F ZINC000085482124 384949582 /nfs/dbraw/zinc/94/95/82/384949582.db2.gz UFNBTKFAPDUBCY-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN C[C@@H](NC(=O)c1cccs1)c1ccncc1 ZINC000027405158 384900514 /nfs/dbraw/zinc/90/05/14/384900514.db2.gz MNVBJUZCFHXFDD-SECBINFHSA-N 0 0 232.308 2.634 50 0 BFAARN CCS[C@H]1CCC[C@H](NC(=O)N(C)CC)C1 ZINC000084760736 384902364 /nfs/dbraw/zinc/90/23/64/384902364.db2.gz OCSXWZBMOSQJNP-QWRGUYRKSA-N 0 0 244.404 2.712 50 0 BFAARN Cc1nc(-c2ccc(-c3ccno3)s2)no1 ZINC000012368978 384908809 /nfs/dbraw/zinc/90/88/09/384908809.db2.gz XMKIPAJOZXKUNN-UHFFFAOYSA-N 0 0 233.252 2.762 50 0 BFAARN COCc1cc(C(C)(C)C)cc(COC)c1O ZINC000085223861 384926862 /nfs/dbraw/zinc/92/68/62/384926862.db2.gz SHDBJOYDLRRTRA-UHFFFAOYSA-N 0 0 238.327 2.983 50 0 BFAARN COc1cnc(Br)cc1Cl ZINC000085210487 384928394 /nfs/dbraw/zinc/92/83/94/384928394.db2.gz NATSPHDWPVWHLE-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN Nc1cc2cccnc2c(C(F)(F)F)c1 ZINC000085221100 384928811 /nfs/dbraw/zinc/92/88/11/384928811.db2.gz OWGZHUXKLHEFJN-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN CCc1c(F)cncc1Br ZINC000085225012 384929008 /nfs/dbraw/zinc/92/90/08/384929008.db2.gz PJVGIIITJQCCRC-UHFFFAOYSA-N 0 0 204.042 2.546 50 0 BFAARN O=C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000057211713 384931800 /nfs/dbraw/zinc/93/18/00/384931800.db2.gz ZCTWGHYTGOWQSN-UHFFFAOYSA-N 0 0 223.703 2.505 50 0 BFAARN Nc1cccc(CC[C@H](O)c2ccccc2)c1 ZINC000057218489 384931924 /nfs/dbraw/zinc/93/19/24/384931924.db2.gz UVHBKKGZWQTGLV-HNNXBMFYSA-N 0 0 227.307 2.935 50 0 BFAARN Cc1ccnc(N[C@H]2CCOC3(CCCC3)C2)n1 ZINC000095425686 384932708 /nfs/dbraw/zinc/93/27/08/384932708.db2.gz MNKQYDLEDVDOHG-LBPRGKRZSA-N 0 0 247.342 2.689 50 0 BFAARN CCc1c(C)nc(Nc2ccc(F)cc2)[nH]c1=O ZINC000057330679 384938119 /nfs/dbraw/zinc/93/81/19/384938119.db2.gz LTNURAMGCHEKGR-UHFFFAOYSA-N 0 0 247.273 2.523 50 0 BFAARN Cc1cnnc2ccc(Br)cc12 ZINC000085398968 384941981 /nfs/dbraw/zinc/94/19/81/384941981.db2.gz QEIZCWVRQQZPBJ-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN Cc1nc(-c2cc(F)ccc2O)cs1 ZINC000085389662 384942273 /nfs/dbraw/zinc/94/22/73/384942273.db2.gz ZPWOYAQNLTWCHB-UHFFFAOYSA-N 0 0 209.245 2.963 50 0 BFAARN O=Cc1c(Cl)nccc1C(F)(F)F ZINC000086014464 384981058 /nfs/dbraw/zinc/98/10/58/384981058.db2.gz YXIMMXIGICNTOF-UHFFFAOYSA-N 0 0 209.554 2.566 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000029107464 384983749 /nfs/dbraw/zinc/98/37/49/384983749.db2.gz KVIKCPVEKZRVPX-OSAQELSMSA-N 0 0 243.350 2.879 50 0 BFAARN CC(C)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000072361259 384989367 /nfs/dbraw/zinc/98/93/67/384989367.db2.gz DWVWBITUVADOFB-UHFFFAOYSA-N 0 0 246.354 2.519 50 0 BFAARN CCc1ccc([C@@H](C)NC(=O)C[C@H](C)OC)cc1 ZINC000058210424 384989467 /nfs/dbraw/zinc/98/94/67/384989467.db2.gz ADCRDQNJSQIFSC-NWDGAFQWSA-N 0 0 249.354 2.851 50 0 BFAARN CC(C)CCC(=O)N[C@@H](C)c1cccnc1 ZINC000058283489 384992181 /nfs/dbraw/zinc/99/21/81/384992181.db2.gz CTXCRXPQBBDJOZ-NSHDSACASA-N 0 0 220.316 2.695 50 0 BFAARN CO[C@H](C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000058268320 384993613 /nfs/dbraw/zinc/99/36/13/384993613.db2.gz BTSOEYUCMSYGQL-DOMZBBRYSA-N 0 0 249.354 2.925 50 0 BFAARN C[C@H](C1CC1)N(C)C(=O)C1CCCCC1 ZINC000058368141 384998469 /nfs/dbraw/zinc/99/84/69/384998469.db2.gz KUDSCBAXWUZHCW-SNVBAGLBSA-N 0 0 209.333 2.824 50 0 BFAARN CC(C)(C)c1cnnn1-c1ccccc1 ZINC000005284359 385005884 /nfs/dbraw/zinc/00/58/84/385005884.db2.gz AQZVSMKUQGBNKG-UHFFFAOYSA-N 0 0 201.273 2.565 50 0 BFAARN S=C1N=NC(c2csc3c2CCCC3)N1 ZINC000018208728 385013750 /nfs/dbraw/zinc/01/37/50/385013750.db2.gz ZQBVRSLEWNDDRW-UHFFFAOYSA-N 0 0 237.353 2.701 50 0 BFAARN CCSc1nc2ccsc2c(=O)n1CC ZINC000058657054 385017404 /nfs/dbraw/zinc/01/74/04/385017404.db2.gz LQIANFBNHVBFCL-UHFFFAOYSA-N 0 0 240.353 2.590 50 0 BFAARN CCSc1nnc(-c2sc(C)nc2C)o1 ZINC000058626943 385018089 /nfs/dbraw/zinc/01/80/89/385018089.db2.gz NPQVHBKHTRCCLB-UHFFFAOYSA-N 0 0 241.341 2.922 50 0 BFAARN O=C(c1ncco1)c1ccccc1Cl ZINC000085651114 384962057 /nfs/dbraw/zinc/96/20/57/384962057.db2.gz BYVRPQIWERELMB-UHFFFAOYSA-N 0 0 207.616 2.559 50 0 BFAARN Cc1sc2[nH]c(-c3ccoc3)nc(=O)c2c1C ZINC000084065441 385076070 /nfs/dbraw/zinc/07/60/70/385076070.db2.gz NHIKEJUFBKZJPR-UHFFFAOYSA-N 0 0 246.291 2.861 50 0 BFAARN Fc1ccc(Cc2noc([C@@H]3CCCO3)n2)cc1 ZINC000072589496 385079157 /nfs/dbraw/zinc/07/91/57/385079157.db2.gz MKFJOEOBMATYHL-NSHDSACASA-N 0 0 248.257 2.651 50 0 BFAARN CCC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000078731667 385028386 /nfs/dbraw/zinc/02/83/86/385028386.db2.gz PXJGATVGHOMLSE-CQSZACIVSA-N 0 0 246.354 2.524 50 0 BFAARN CSCCC(=O)Nc1cnc2ccccc2c1 ZINC000030931304 385033386 /nfs/dbraw/zinc/03/33/86/385033386.db2.gz ZPCYWQVQMFIBDI-UHFFFAOYSA-N 0 0 246.335 2.926 50 0 BFAARN Cc1nc(C)c(C(=O)NCCC(C)C)s1 ZINC000058870872 385033546 /nfs/dbraw/zinc/03/35/46/385033546.db2.gz JZSHLIDOHNAANS-UHFFFAOYSA-N 0 0 226.345 2.536 50 0 BFAARN CC(=O)Nc1cccc(NC(=O)CC(C)C)c1 ZINC000003159601 385138410 /nfs/dbraw/zinc/13/84/10/385138410.db2.gz FHMWCFOMYAPTGU-UHFFFAOYSA-N 0 0 234.299 2.630 50 0 BFAARN COc1ccc(CNc2cc(C)on2)cc1 ZINC000062716551 385086528 /nfs/dbraw/zinc/08/65/28/385086528.db2.gz ZSYROPZBWCIEOZ-UHFFFAOYSA-N 0 0 218.256 2.604 50 0 BFAARN CC(C)CCNC(=O)CCc1ccc(F)cc1 ZINC000060878359 385101051 /nfs/dbraw/zinc/10/10/51/385101051.db2.gz ICWVOLCNPHCDCG-UHFFFAOYSA-N 0 0 237.318 2.921 50 0 BFAARN CC(C)CNC(=O)CCc1ccc(F)cc1 ZINC000060878681 385101480 /nfs/dbraw/zinc/10/14/80/385101480.db2.gz WMHDKYITRJAVBF-UHFFFAOYSA-N 0 0 223.291 2.531 50 0 BFAARN CCN(C(=O)c1ccc(C)c(C)c1)C1CC1 ZINC000032760915 385183868 /nfs/dbraw/zinc/18/38/68/385183868.db2.gz LHLZFEXBQWZROF-UHFFFAOYSA-N 0 0 217.312 2.928 50 0 BFAARN CCC[C@H](C)C(=O)Nc1nnc(C2CC2)s1 ZINC000060388480 385202312 /nfs/dbraw/zinc/20/23/12/385202312.db2.gz ZYHTXFIEEHEKAI-ZETCQYMHSA-N 0 0 239.344 2.790 50 0 BFAARN Cc1ccc(C)c(SCC(=O)N2CCC2)c1 ZINC000012973850 385152501 /nfs/dbraw/zinc/15/25/01/385152501.db2.gz OAGMTZDFKRZJKJ-UHFFFAOYSA-N 0 0 235.352 2.628 50 0 BFAARN COC(=O)c1ccc2nc(Cl)sc2c1 ZINC000062202929 385166005 /nfs/dbraw/zinc/16/60/05/385166005.db2.gz HSTWZXJDEICJAL-UHFFFAOYSA-N 0 0 227.672 2.736 50 0 BFAARN CC(C)[C@@H]1OCC[C@@H]1CNc1ccccn1 ZINC000096453809 385175680 /nfs/dbraw/zinc/17/56/80/385175680.db2.gz XVCYMPDDGVYKPL-YPMHNXCESA-N 0 0 220.316 2.555 50 0 BFAARN Nc1n[nH]c(-c2cccc(C(F)(F)F)c2)c1F ZINC000063110820 385208058 /nfs/dbraw/zinc/20/80/58/385208058.db2.gz DXUUYLPXUMGOGX-UHFFFAOYSA-N 0 0 245.179 2.817 50 0 BFAARN CCS[C@@H]1CCC[C@@H]1Nc1nnc(C)s1 ZINC000096482473 385221274 /nfs/dbraw/zinc/22/12/74/385221274.db2.gz OCNXCLLVGFPVPR-DTWKUNHWSA-N 0 0 243.401 2.933 50 0 BFAARN CCOc1ccc(Oc2cc(N)ccn2)cc1 ZINC000033294791 385222495 /nfs/dbraw/zinc/22/24/95/385222495.db2.gz RKTBEQYOQAJRTO-UHFFFAOYSA-N 0 0 230.267 2.855 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000005611238 385226310 /nfs/dbraw/zinc/22/63/10/385226310.db2.gz DJRKGPMTRJEWCF-NOZJJQNGSA-N 0 0 215.296 2.770 50 0 BFAARN CCSCCOc1cccc([C@H](C)O)c1 ZINC000096496141 385230353 /nfs/dbraw/zinc/23/03/53/385230353.db2.gz MDURUSCBDFSOFS-JTQLQIEISA-N 0 0 226.341 2.872 50 0 BFAARN Cc1csc(C[S@@](=O)c2ccoc2C)n1 ZINC000189627951 385232060 /nfs/dbraw/zinc/23/20/60/385232060.db2.gz DEIMHJKGAJROPP-OAHLLOKOSA-N 0 0 241.337 2.661 50 0 BFAARN CC(C)(C)OCCn1ccnc1-c1ccncc1 ZINC000096501938 385238931 /nfs/dbraw/zinc/23/89/31/385238931.db2.gz XBMGWIFZAFMPLN-UHFFFAOYSA-N 0 0 245.326 2.760 50 0 BFAARN CC(C)CCNC(=O)c1ccc(N(C)C)cc1 ZINC000005632831 385240008 /nfs/dbraw/zinc/24/00/08/385240008.db2.gz OKUXQUGOVXCENJ-UHFFFAOYSA-N 0 0 234.343 2.529 50 0 BFAARN Clc1cc(-n2cccc2)nc(Cl)n1 ZINC000064033533 385243163 /nfs/dbraw/zinc/24/31/63/385243163.db2.gz ADHYIGNRZORUBL-UHFFFAOYSA-N 0 0 214.055 2.574 50 0 BFAARN Cc1occc1[S@](=O)Cc1ccccc1 ZINC000189657339 385250290 /nfs/dbraw/zinc/25/02/90/385250290.db2.gz NUJQLQKXWXWBHM-OAHLLOKOSA-N 0 0 220.293 2.896 50 0 BFAARN c1ccc(CN2Cc3cccnc3C2)cc1 ZINC000063060446 385204497 /nfs/dbraw/zinc/20/44/97/385204497.db2.gz DNVMWHGYSCHZGW-UHFFFAOYSA-N 0 0 210.280 2.597 50 0 BFAARN CC(=O)c1ccn(-c2cncc3ccccc32)n1 ZINC000065435948 385311968 /nfs/dbraw/zinc/31/19/68/385311968.db2.gz DSWQGPLIOWPPBT-UHFFFAOYSA-N 0 0 237.262 2.623 50 0 BFAARN CC(=O)c1cc(F)c(Br)cc1F ZINC000034062888 385274108 /nfs/dbraw/zinc/27/41/08/385274108.db2.gz JPTNTBSBJPCXGI-UHFFFAOYSA-N 0 0 235.027 2.930 50 0 BFAARN CC(C)(O)C(C)(C)[C@@H](O)c1ccccc1 ZINC000000199330 385278513 /nfs/dbraw/zinc/27/85/13/385278513.db2.gz KZSPLEBVHZHOGH-NSHDSACASA-N 0 0 208.301 2.517 50 0 BFAARN CC(=O)N[C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000000183186 385279644 /nfs/dbraw/zinc/27/96/44/385279644.db2.gz LZCVYJZYDMKSKP-AWEZNQCLSA-N 0 0 242.322 2.990 50 0 BFAARN CC(C)(O)C(C)(C)[C@H](O)c1ccccc1 ZINC000000199328 385280188 /nfs/dbraw/zinc/28/01/88/385280188.db2.gz KZSPLEBVHZHOGH-LLVKDONJSA-N 0 0 208.301 2.517 50 0 BFAARN COC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000034638890 385287112 /nfs/dbraw/zinc/28/71/12/385287112.db2.gz PUVPNBQYYYYQCY-UHFFFAOYSA-N 0 0 215.661 2.669 50 0 BFAARN CNc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187374561 385295411 /nfs/dbraw/zinc/29/54/11/385295411.db2.gz JSFXRSHYETZAQS-VIFPVBQESA-N 0 0 241.718 2.797 50 0 BFAARN COC(=O)c1cc(-c2ccc(O)cc2)ccc1F ZINC000065340111 385300181 /nfs/dbraw/zinc/30/01/81/385300181.db2.gz XNIXKUIDXMQSGB-UHFFFAOYSA-N 0 0 246.237 2.985 50 0 BFAARN CN(C)C(=O)c1cccc(-c2ccccc2O)c1 ZINC000065340087 385301771 /nfs/dbraw/zinc/30/17/71/385301771.db2.gz WCASFNPWKFUQAP-UHFFFAOYSA-N 0 0 241.290 2.761 50 0 BFAARN Cc1nsc(N2CC[C@H]3CCCC[C@@H]32)n1 ZINC000098018922 385358753 /nfs/dbraw/zinc/35/87/53/385358753.db2.gz GTEJYDFRXBXOBZ-ZJUUUORDSA-N 0 0 223.345 2.615 50 0 BFAARN CC(C)=CCC[C@H](C)C[C@H]1OCCN1C(C)=O ZINC000000519060 385404286 /nfs/dbraw/zinc/40/42/86/385404286.db2.gz RKYXURFVIOUABL-GXTWGEPZSA-N 0 0 239.359 2.964 50 0 biogenic BFAARN C[C@H]1S[C@H](c2ccc(Cl)cc2)NC1=O ZINC000002885473 385514758 /nfs/dbraw/zinc/51/47/58/385514758.db2.gz ICYPBIOPOTZPGH-LHLIQPBNSA-N 0 0 227.716 2.590 50 0 BFAARN CCOc1nc(C)c([C@@H](C)O)c2ccccc21 ZINC000252508033 385650902 /nfs/dbraw/zinc/65/09/02/385650902.db2.gz XAVLKJIXINBWCZ-SNVBAGLBSA-N 0 0 231.295 2.995 50 0 BFAARN CCCCNC(=O)[C@H](C)Sc1ccoc1C ZINC000131417451 385698917 /nfs/dbraw/zinc/69/89/17/385698917.db2.gz NZCVAHHQSWVUMF-JTQLQIEISA-N 0 0 241.356 2.985 50 0 BFAARN CS[C@H]1CCN(C(=O)c2ccc(Cl)o2)C1 ZINC000292590362 385708780 /nfs/dbraw/zinc/70/87/80/385708780.db2.gz VAKOBWTZQMYRPY-ZETCQYMHSA-N 0 0 245.731 2.511 50 0 BFAARN CS[C@@H]1CCN(C(=O)c2ccc(Cl)o2)C1 ZINC000292590360 385709076 /nfs/dbraw/zinc/70/90/76/385709076.db2.gz VAKOBWTZQMYRPY-SSDOTTSWSA-N 0 0 245.731 2.511 50 0 BFAARN CC(=O)c1cc(F)c(F)c(Br)c1 ZINC000258302584 385777349 /nfs/dbraw/zinc/77/73/49/385777349.db2.gz ZXSAYYJRGMXVSC-UHFFFAOYSA-N 0 0 235.027 2.930 50 0 BFAARN Nc1cccc(C(F)(F)F)c1OC(F)F ZINC000258838158 385779729 /nfs/dbraw/zinc/77/97/29/385779729.db2.gz VPKYHQUXOGYBKR-UHFFFAOYSA-N 0 0 227.132 2.889 50 0 BFAARN Cc1cc(C(=O)N(C)[C@@H](C)c2ccon2)c(C)o1 ZINC000215647649 385847419 /nfs/dbraw/zinc/84/74/19/385847419.db2.gz VSHOPZVBYDYNMR-VIFPVBQESA-N 0 0 248.282 2.718 50 0 BFAARN CC(C)CCNC(=O)CCc1ccccc1 ZINC000002774364 385860068 /nfs/dbraw/zinc/86/00/68/385860068.db2.gz WDMXQGZXTKPLGF-UHFFFAOYSA-N 0 0 219.328 2.782 50 0 BFAARN CCc1cc(C(=O)N2CCC[C@H](C)C2)ccc1O ZINC000291490366 385880111 /nfs/dbraw/zinc/88/01/11/385880111.db2.gz SPEASOITNQKICP-NSHDSACASA-N 0 0 247.338 2.827 50 0 BFAARN CCCCNC(=O)CSc1ccccc1 ZINC000008156230 385931081 /nfs/dbraw/zinc/93/10/81/385931081.db2.gz RGLKVTROGVNRBI-UHFFFAOYSA-N 0 0 223.341 2.695 50 0 BFAARN CSCCC(=O)N1c2ccccc2C[C@@H]1C ZINC000032975249 386012763 /nfs/dbraw/zinc/01/27/63/386012763.db2.gz HHPDAUPWBOBIOL-JTQLQIEISA-N 0 0 235.352 2.717 50 0 BFAARN COCCc1ccc(-c2cnc(N)s2)cc1 ZINC000012547013 386022635 /nfs/dbraw/zinc/02/26/35/386022635.db2.gz ODUXDGGEOWQQSA-UHFFFAOYSA-N 0 0 234.324 2.581 50 0 BFAARN CCCC/C=C\CNc1ccn(CCOC)n1 ZINC000222058695 386033169 /nfs/dbraw/zinc/03/31/69/386033169.db2.gz LYTVXJLPLHPPFI-SREVYHEPSA-N 0 0 237.347 2.688 50 0 BFAARN c1csc(Sc2ncnc3n[nH]cc32)c1 ZINC000075610199 386088768 /nfs/dbraw/zinc/08/87/68/386088768.db2.gz SOKLJPNSRLXOEA-UHFFFAOYSA-N 0 0 234.309 2.566 50 0 BFAARN CC(=O)c1cccc(NC(=O)c2ccoc2)c1 ZINC000019422946 386094826 /nfs/dbraw/zinc/09/48/26/386094826.db2.gz FDAXKOMUMCVRIU-UHFFFAOYSA-N 0 0 229.235 2.735 50 0 BFAARN Cc1cnc(Br)cc1OC(F)F ZINC000263623294 386158022 /nfs/dbraw/zinc/15/80/22/386158022.db2.gz GGWWCEOVYYHXAE-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN Cc1ccnc(Br)c1OC(F)F ZINC000263625049 386159004 /nfs/dbraw/zinc/15/90/04/386159004.db2.gz WHBGZCUKNSDPNZ-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN C[C@@H](NC(=O)c1cccc(F)c1)c1ccccn1 ZINC000012546120 386175839 /nfs/dbraw/zinc/17/58/39/386175839.db2.gz FTRNVWABSATDAZ-SNVBAGLBSA-N 0 0 244.269 2.712 50 0 BFAARN Cc1oncc1-c1cn2cc(C)ccc2n1 ZINC000001392466 386177442 /nfs/dbraw/zinc/17/74/42/386177442.db2.gz LUUORHDOABMIKV-UHFFFAOYSA-N 0 0 213.240 2.606 50 0 BFAARN Cc1ccnc(N[C@H](C)C[C@@H](O)c2ccco2)c1 ZINC000225527170 386201047 /nfs/dbraw/zinc/20/10/47/386201047.db2.gz QCORGAKFCVDFRZ-VXGBXAGGSA-N 0 0 246.310 2.907 50 0 BFAARN CN(C)c1cccnc1NCc1ccccc1 ZINC000225616450 386207868 /nfs/dbraw/zinc/20/78/68/386207868.db2.gz WCVZSYVBOVESMB-UHFFFAOYSA-N 0 0 227.311 2.760 50 0 BFAARN CC[C@@H](C)[C@@H](C)Nc1ccc(C)c(C(N)=O)c1 ZINC000183118534 386211635 /nfs/dbraw/zinc/21/16/35/386211635.db2.gz VILPLOQHVAMABN-MWLCHTKSSA-N 0 0 234.343 2.940 50 0 BFAARN CC(C)CO[C@H](C)C(=O)Nc1ccc(F)cc1 ZINC000040521089 386217757 /nfs/dbraw/zinc/21/77/57/386217757.db2.gz SUYZFURALQUZGH-SNVBAGLBSA-N 0 0 239.290 2.825 50 0 BFAARN CC/C=C(\C)C(=O)NCCc1cccs1 ZINC000046042061 386242037 /nfs/dbraw/zinc/24/20/37/386242037.db2.gz ZHQRXRUQSYFKMM-BJMVGYQFSA-N 0 0 223.341 2.763 50 0 BFAARN Cc1ccc(OC/C=C/Cn2ccnc2)cc1 ZINC000016622875 386269261 /nfs/dbraw/zinc/26/92/61/386269261.db2.gz FUPRRUSJGAALDK-NSCUHMNNSA-N 0 0 228.295 2.827 50 0 BFAARN CCc1ccccc1NC(=S)NC1CC1 ZINC000005878779 386410892 /nfs/dbraw/zinc/41/08/92/386410892.db2.gz OOCJOJLWJUWGAA-UHFFFAOYSA-N 0 0 220.341 2.698 50 0 BFAARN Cc1ccnc(NCc2ccc(F)cc2F)n1 ZINC000061859448 386493585 /nfs/dbraw/zinc/49/35/85/386493585.db2.gz UYHCPBUXNREWNR-UHFFFAOYSA-N 0 0 235.237 2.675 50 0 BFAARN CC[C@@H](C)NC(=O)c1n[nH]c2c1CCCCCC2 ZINC000085951707 386542045 /nfs/dbraw/zinc/54/20/45/386542045.db2.gz CKSPMVOYVWTZSQ-SNVBAGLBSA-N 0 0 249.358 2.597 50 0 BFAARN Cc1nocc1CNc1ccccc1F ZINC000335929585 386597421 /nfs/dbraw/zinc/59/74/21/386597421.db2.gz YQSRYJRMNITGME-UHFFFAOYSA-N 0 0 206.220 2.734 50 0 BFAARN C[C@H]1OCC[C@H]1SCc1nccs1 ZINC000095974125 386564243 /nfs/dbraw/zinc/56/42/43/386564243.db2.gz XCYHAGCAVUPFRW-HTQZYQBOSA-N 0 0 215.343 2.554 50 0 BFAARN O=CC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000001569637 386640918 /nfs/dbraw/zinc/64/09/18/386640918.db2.gz RCMGUDDPKUIMTI-UHFFFAOYSA-N 0 0 226.231 2.861 50 0 BFAARN Cc1ccc(OCCn2cccn2)c(C)c1 ZINC000004106958 386602477 /nfs/dbraw/zinc/60/24/77/386602477.db2.gz WERKJSGFDSUFQN-UHFFFAOYSA-N 0 0 216.284 2.579 50 0 BFAARN Cc1cccc(CNc2cc(CO)ccn2)c1C ZINC000585116568 386672486 /nfs/dbraw/zinc/67/24/86/386672486.db2.gz BECXQFBDRXPCTO-UHFFFAOYSA-N 0 0 242.322 2.803 50 0 BFAARN CC[C@H](NC(=O)CC(C)=C(C)C)[C@@H](O)C(C)C ZINC000585132216 386678483 /nfs/dbraw/zinc/67/84/83/386678483.db2.gz QQJLGKIRUHUJEX-JSGCOSHPSA-N 0 0 241.375 2.645 50 0 BFAARN CC[C@@H](NC(=O)CC(C)=C(C)C)[C@H](O)C(C)C ZINC000585132218 386679320 /nfs/dbraw/zinc/67/93/20/386679320.db2.gz QQJLGKIRUHUJEX-TZMCWYRMSA-N 0 0 241.375 2.645 50 0 BFAARN CC(C)c1cnc(-c2cnc3ccnn3c2)s1 ZINC000585124232 386680011 /nfs/dbraw/zinc/68/00/11/386680011.db2.gz KRVRKLNPMCLAHI-UHFFFAOYSA-N 0 0 244.323 2.976 50 0 BFAARN Cc1nc(C(=O)Nc2cccc(C)c2C)co1 ZINC000022606326 386727797 /nfs/dbraw/zinc/72/77/97/386727797.db2.gz IVKUZPAWJNUQBM-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN CCC1(CC)NC(=O)N(c2cccc(C)c2)N1 ZINC000015867866 386729653 /nfs/dbraw/zinc/72/96/53/386729653.db2.gz RZBIRZYRUXTITN-UHFFFAOYSA-N 0 0 233.315 2.546 50 0 BFAARN Cn1ncc2c1NC(=O)C[C@H]2c1ccsc1 ZINC000049544379 386765671 /nfs/dbraw/zinc/76/56/71/386765671.db2.gz LZXVTAFQXZTTLW-QMMMGPOBSA-N 0 0 233.296 2.605 50 0 BFAARN Cc1nocc1CNc1ccc(F)cc1F ZINC000334447094 386771079 /nfs/dbraw/zinc/77/10/79/386771079.db2.gz HRIJLCCAROTXFH-UHFFFAOYSA-N 0 0 224.210 2.873 50 0 BFAARN C[C@@H](NC(=O)c1ccc(F)cc1)c1cccnc1 ZINC000032731614 386815857 /nfs/dbraw/zinc/81/58/57/386815857.db2.gz FYLPHAGAZIRQRL-SNVBAGLBSA-N 0 0 244.269 2.712 50 0 BFAARN Cc1nnc(SCc2ccccn2)s1 ZINC000006045067 386954851 /nfs/dbraw/zinc/95/48/51/386954851.db2.gz OOKIBNBJZCFXFN-UHFFFAOYSA-N 0 0 223.326 2.534 50 0 BFAARN CC(C)=CC(=O)N(C)Cc1ccc(C)o1 ZINC000047466212 386986920 /nfs/dbraw/zinc/98/69/20/386986920.db2.gz MBMZVDSYKWULBC-UHFFFAOYSA-N 0 0 207.273 2.513 50 0 BFAARN COC(=O)c1ccc(Oc2ccccn2)cc1 ZINC000012370381 387018036 /nfs/dbraw/zinc/01/80/36/387018036.db2.gz MTZVYWMZXMQCKF-UHFFFAOYSA-N 0 0 229.235 2.661 50 0 BFAARN CN(Cc1ccco1)C(=O)c1ccc(F)cc1 ZINC000033028170 387096393 /nfs/dbraw/zinc/09/63/93/387096393.db2.gz VAPLAUQZMWIRCK-UHFFFAOYSA-N 0 0 233.242 2.691 50 0 BFAARN C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1cccs1 ZINC000032986499 387151359 /nfs/dbraw/zinc/15/13/59/387151359.db2.gz YQRNABVEFVCXDZ-CIUDSAMLSA-N 0 0 209.314 2.581 50 0 BFAARN Cc1ccccc1CN(C)C(=O)[C@H]1C[C@H]1C ZINC000033000266 387171325 /nfs/dbraw/zinc/17/13/25/387171325.db2.gz OZIRTQZYWORYAY-YPMHNXCESA-N 0 0 217.312 2.609 50 0 BFAARN Cc1ccccc1CN(C)C(=O)[C@H]1C[C@@H]1C ZINC000033000269 387172461 /nfs/dbraw/zinc/17/24/61/387172461.db2.gz OZIRTQZYWORYAY-AAEUAGOBSA-N 0 0 217.312 2.609 50 0 BFAARN CC(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000089894075 387188077 /nfs/dbraw/zinc/18/80/77/387188077.db2.gz LKFDZWSVPRGXQR-UHFFFAOYSA-N 0 0 217.272 2.576 50 0 BFAARN CC(C)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000064542906 387213302 /nfs/dbraw/zinc/21/33/02/387213302.db2.gz MGTGKKKVJXLQNS-UHFFFAOYSA-N 0 0 241.294 2.738 50 0 BFAARN O=C1N[C@@]23CC=CC[C@]12CCCCCC3 ZINC000005179832 387233979 /nfs/dbraw/zinc/23/39/79/387233979.db2.gz VFYRKGAMLRZLPZ-OLZOCXBDSA-N 0 0 205.301 2.546 50 0 BFAARN CCCCNC(=O)N(CC)CCCC ZINC000003075385 387247639 /nfs/dbraw/zinc/24/76/39/387247639.db2.gz OSYQGCFSJONRTN-UHFFFAOYSA-N 0 0 200.326 2.618 50 0 BFAARN CO/C=C1\CCCC12CC(OC)=C(OC)C2 ZINC000043763141 387274659 /nfs/dbraw/zinc/27/46/59/387274659.db2.gz CGZYMZRZPKRQMU-MDZDMXLPSA-N 0 0 224.300 2.985 50 0 BFAARN CC1=CC[C@@]2(CO)CCCCC[C@@]2(CO)C1 ZINC000071786346 387288590 /nfs/dbraw/zinc/28/85/90/387288590.db2.gz VBYQNWMISFKBFZ-KGLIPLIRSA-N 0 0 224.344 2.648 50 0 BFAARN CC(=O)c1ccc(N(C)Cc2ccccc2)nc1 ZINC000089331238 387293634 /nfs/dbraw/zinc/29/36/34/387293634.db2.gz GXZZNOPUCWXWIZ-UHFFFAOYSA-N 0 0 240.306 2.921 50 0 BFAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)C(C)C ZINC000035511207 387367225 /nfs/dbraw/zinc/36/72/25/387367225.db2.gz WHNGKSLVMBAQEO-NSHDSACASA-N 0 0 236.315 2.611 50 0 BFAARN COc1ccc2c(c1)[C@@H]1C[C@]3(C(C)(C)O)[C@H]2[C@H]13 ZINC000257358541 387337279 /nfs/dbraw/zinc/33/72/79/387337279.db2.gz VBECXUHMOPAFQE-XFMPKHEZSA-N 0 0 230.307 2.667 50 0 BFAARN Cc1nc(CN(C)[C@@H](C)c2ccccn2)oc1C ZINC000089558244 387343209 /nfs/dbraw/zinc/34/32/09/387343209.db2.gz HLFKDPAJHWACDL-NSHDSACASA-N 0 0 245.326 2.879 50 0 BFAARN CCCCC[S@@](=O)c1ccc(C)cn1 ZINC000191183533 387351681 /nfs/dbraw/zinc/35/16/81/387351681.db2.gz OKLSCJJWLCVDKG-CQSZACIVSA-N 0 0 211.330 2.688 50 0 BFAARN CCCCC[S@](=O)c1ccoc1C ZINC000191201739 387352855 /nfs/dbraw/zinc/35/28/55/387352855.db2.gz MTVFZTQWLKSDDK-ZDUSSCGKSA-N 0 0 200.303 2.886 50 0 BFAARN CCC[C@@]1(COC)CCCN1C(=O)[C@@H](C)CC ZINC000192763592 387437836 /nfs/dbraw/zinc/43/78/36/387437836.db2.gz KVYCLFDSVSEADU-JSGCOSHPSA-N 0 0 241.375 2.840 50 0 BFAARN O=C(/C=C/c1ccsc1)NCCc1ccoc1 ZINC000090607407 387455973 /nfs/dbraw/zinc/45/59/73/387455973.db2.gz KXVVDEGLNONUJA-OWOJBTEDSA-N 0 0 247.319 2.713 50 0 BFAARN C[C@H](NC(=O)NCC1CC1)c1ccccc1F ZINC000012985367 387386716 /nfs/dbraw/zinc/38/67/16/387386716.db2.gz DDJWEOWIZMAABG-VIFPVBQESA-N 0 0 236.290 2.596 50 0 BFAARN CC(=O)NCc1ccc(-c2ccsc2)o1 ZINC000575605113 387386709 /nfs/dbraw/zinc/38/67/09/387386709.db2.gz LZMCKIVQORISHK-UHFFFAOYSA-N 0 0 221.281 2.644 50 0 BFAARN O=C(NCc1ccc(-c2ccco2)o1)C1CCC1 ZINC000575604976 387388469 /nfs/dbraw/zinc/38/84/69/387388469.db2.gz JOVBGIOVZSIUQA-UHFFFAOYSA-N 0 0 245.278 2.956 50 0 BFAARN CCC(=O)NCc1ccc(-c2ccoc2)o1 ZINC000575611388 387414742 /nfs/dbraw/zinc/41/47/42/387414742.db2.gz UZCSUUAWQZQPFZ-UHFFFAOYSA-N 0 0 219.240 2.566 50 0 BFAARN C[C@H](NC(=O)c1ccccc1F)c1ccccn1 ZINC000028781103 387538276 /nfs/dbraw/zinc/53/82/76/387538276.db2.gz GVSNKDGHOHRPFM-JTQLQIEISA-N 0 0 244.269 2.712 50 0 BFAARN Cc1noc(C)c1CN1CCC[C@@](C)(F)C1 ZINC000296188978 387540958 /nfs/dbraw/zinc/54/09/58/387540958.db2.gz YIQFAGLWRRHATL-GFCCVEGCSA-N 0 0 226.295 2.615 50 0 BFAARN CC=CC=CC(=O)Nc1cccc(C(C)=O)c1 ZINC000096646103 387465030 /nfs/dbraw/zinc/46/50/30/387465030.db2.gz QSACFMKBZHWIMK-BEHOXYOFSA-N 0 0 229.279 2.960 50 0 BFAARN Cc1ccc2c(c1)[C@H]1CCCC(=O)[C@@H]1N2 ZINC000100769722 387472988 /nfs/dbraw/zinc/47/29/88/387472988.db2.gz KQAOLVJMYZHVBN-NOZJJQNGSA-N 0 0 201.269 2.626 50 0 biogenic BFAARN CCN(Cc1ccncc1)c1cccc(O)c1 ZINC000191576493 387489938 /nfs/dbraw/zinc/48/99/38/387489938.db2.gz YCEVBPNWINMCDU-UHFFFAOYSA-N 0 0 228.295 2.814 50 0 BFAARN COc1nsc(Nc2cccc(Cl)c2)n1 ZINC000075272015 387491877 /nfs/dbraw/zinc/49/18/77/387491877.db2.gz MFVWLOGFZWEIBK-UHFFFAOYSA-N 0 0 241.703 2.944 50 0 BFAARN Cc1cc(-c2cncc(C(C)(C)O)c2)ccc1O ZINC000426550351 387580288 /nfs/dbraw/zinc/58/02/88/387580288.db2.gz DBCIJODORZVPDD-UHFFFAOYSA-N 0 0 243.306 2.990 50 0 BFAARN CCCCOCC(=O)Nc1ncc(Cl)s1 ZINC000006656501 387594691 /nfs/dbraw/zinc/59/46/91/387594691.db2.gz POGKGYWGKKOQEK-UHFFFAOYSA-N 0 0 248.735 2.552 50 0 BFAARN Clc1cnc(-n2cccc2)c(-c2cn[nH]c2)c1 ZINC000426381846 387562740 /nfs/dbraw/zinc/56/27/40/387562740.db2.gz ZXFCIDHTIYHWEA-UHFFFAOYSA-N 0 0 244.685 2.916 50 0 BFAARN Cc1cc(-c2ccc(F)cc2Cl)c(=O)[nH]n1 ZINC000426412842 387566893 /nfs/dbraw/zinc/56/68/93/387566893.db2.gz YIVQFRZOGCBZJO-UHFFFAOYSA-N 0 0 238.649 2.950 50 0 BFAARN Cc1cc(NC(=O)c2cc(C)cc(C)c2)n(C)n1 ZINC000040030713 387577297 /nfs/dbraw/zinc/57/72/97/387577297.db2.gz CVLJVSHZCVTLPO-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN CCC[C@H](O)c1ccc(-c2cnn(C)c2)cc1 ZINC000426492744 387577392 /nfs/dbraw/zinc/57/73/92/387577392.db2.gz FGMAEZJJUOBDJD-AWEZNQCLSA-N 0 0 230.311 2.921 50 0 BFAARN CCCOc1cccc(-c2ncnc(N)c2C)c1 ZINC000426518197 387578685 /nfs/dbraw/zinc/57/86/85/387578685.db2.gz DSAQBJFDEGCURO-UHFFFAOYSA-N 0 0 243.310 2.653 50 0 BFAARN Cc1cc(C)cc(NC(=O)c2cccnc2)c1 ZINC000000029316 177908205 /nfs/dbraw/zinc/90/82/05/177908205.db2.gz RYZRCDYCHWUZLX-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN CC/C=C(/C)C(=O)NCc1ccccc1OC ZINC000064031324 387777246 /nfs/dbraw/zinc/77/72/46/387777246.db2.gz NGFWXUYUFJZNEG-XFFZJAGNSA-N 0 0 233.311 2.668 50 0 BFAARN CC/C=C(\C)C(=O)Nc1ccc(OC)cc1 ZINC000047666917 387777731 /nfs/dbraw/zinc/77/77/31/387777731.db2.gz AESWFXQZCLGLTE-BJMVGYQFSA-N 0 0 219.284 2.990 50 0 BFAARN O=C(C1CCCC1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000048687295 387783132 /nfs/dbraw/zinc/78/31/32/387783132.db2.gz IDFXTXATQLMKBH-CYBMUJFWSA-N 0 0 232.327 2.868 50 0 BFAARN CNc1nc(-c2ccc(NC(C)=O)cc2)cs1 ZINC000006905583 387866651 /nfs/dbraw/zinc/86/66/51/387866651.db2.gz VGXMQEHVMFVOIZ-UHFFFAOYSA-N 0 0 247.323 2.810 50 0 BFAARN CC(C)c1nc2ccc(C(=O)NC3CC3)cc2o1 ZINC000064968276 387912099 /nfs/dbraw/zinc/91/20/99/387912099.db2.gz LIFPZKAVEHVEOQ-UHFFFAOYSA-N 0 0 244.294 2.843 50 0 BFAARN Cc1cc(C)c(/C=C2/SC(=N)NC2=O)c(C)c1 ZINC000005023812 177836979 /nfs/dbraw/zinc/83/69/79/177836979.db2.gz YBJINUSELRVVGB-IZZDOVSWSA-N 0 0 246.335 2.751 50 0 BFAARN Cc1cc(C(=O)c2ccc(F)cc2)ccn1 ZINC000045038461 177826827 /nfs/dbraw/zinc/82/68/27/177826827.db2.gz OOTDTIYAJNKOFG-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN COC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000006509240 388040393 /nfs/dbraw/zinc/04/03/93/388040393.db2.gz WTNVEQQSDKXQNM-SSDOTTSWSA-N 0 0 210.298 2.660 50 0 BFAARN CCCc1noc([C@H](C)N2CCCCC2)n1 ZINC000065564641 388084573 /nfs/dbraw/zinc/08/45/73/388084573.db2.gz PXHMMPAPFUQQLE-JTQLQIEISA-N 0 0 223.320 2.569 50 0 BFAARN C[C@H](Cn1cccn1)Nc1nc2ccccc2o1 ZINC000042338094 388087216 /nfs/dbraw/zinc/08/72/16/388087216.db2.gz MBBVOAXNKDJCSC-SNVBAGLBSA-N 0 0 242.282 2.525 50 0 BFAARN Cc1cc(C(=O)NC(C)C)c2ccccc2n1 ZINC000012972750 177773287 /nfs/dbraw/zinc/77/32/87/177773287.db2.gz VRNNNRKUWHLQIB-UHFFFAOYSA-N 0 0 228.295 2.681 50 0 BFAARN Cc1ccncc1NCc1cccc2c[nH]nc21 ZINC000170078845 388257790 /nfs/dbraw/zinc/25/77/90/388257790.db2.gz JVEDJPWYZQSMJU-UHFFFAOYSA-N 0 0 238.294 2.878 50 0 BFAARN CC(C)(C)n1cc(CNc2cccnc2)cn1 ZINC000037187237 388213875 /nfs/dbraw/zinc/21/38/75/388213875.db2.gz ZKJMVHHEEITRLX-UHFFFAOYSA-N 0 0 230.315 2.645 50 0 BFAARN CSCCOc1ccc(-n2cccn2)cc1 ZINC000170595991 388239766 /nfs/dbraw/zinc/23/97/66/388239766.db2.gz KLDHYOQUFLXYQI-UHFFFAOYSA-N 0 0 234.324 2.614 50 0 BFAARN Cc1ccc(C(=O)N2CCCC2(C)C)c(C)n1 ZINC000170600310 388241552 /nfs/dbraw/zinc/24/15/52/388241552.db2.gz UEZCGMZUOXVLQA-UHFFFAOYSA-N 0 0 232.327 2.713 50 0 BFAARN Fc1ccc(CNc2nnc(C(F)F)o2)cc1 ZINC000170605203 388245671 /nfs/dbraw/zinc/24/56/71/388245671.db2.gz ITOUTIIHOPCSCE-UHFFFAOYSA-N 0 0 243.188 2.758 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)on1 ZINC000036398252 177754286 /nfs/dbraw/zinc/75/42/86/177754286.db2.gz MPWXEORNXXWOME-NWDGAFQWSA-N 0 0 248.326 2.778 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@@H]2C2CCCC2)no1 ZINC000056033345 388346473 /nfs/dbraw/zinc/34/64/73/388346473.db2.gz PBQUKDPXELXDJU-CYBMUJFWSA-N 0 0 248.326 2.778 50 0 BFAARN Cc1occc1SCc1nccn1C ZINC000131546891 388347592 /nfs/dbraw/zinc/34/75/92/388347592.db2.gz HANZJPFFIHWQQD-UHFFFAOYSA-N 0 0 208.286 2.614 50 0 BFAARN Cc1noc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000230057380 388349154 /nfs/dbraw/zinc/34/91/54/388349154.db2.gz GOSWMGQZUSIBPG-NWDGAFQWSA-N 0 0 235.331 2.533 50 0 BFAARN CCOP(=O)(OCC)C(=O)c1ccco1 ZINC000002900678 388353036 /nfs/dbraw/zinc/35/30/36/388353036.db2.gz KDUKKBIDGCZPPL-UHFFFAOYSA-N 0 0 232.172 2.686 50 0 BFAARN CC[C@@H](NC(=O)C[C@@H]1C=CCC1)C(C)C ZINC000057410530 388360498 /nfs/dbraw/zinc/36/04/98/388360498.db2.gz DVAFCOULTQUJSB-VXGBXAGGSA-N 0 0 209.333 2.894 50 0 BFAARN Cc1cccc(CC(=O)N2CCS[C@H](C)C2)c1 ZINC000171567407 388405077 /nfs/dbraw/zinc/40/50/77/388405077.db2.gz IGSYUMKFIDQHAI-GFCCVEGCSA-N 0 0 249.379 2.501 50 0 BFAARN CC(=O)c1sccc1OCc1nccs1 ZINC000193532428 388368554 /nfs/dbraw/zinc/36/85/54/388368554.db2.gz SOQSJDVCJKVYCW-UHFFFAOYSA-N 0 0 239.321 2.986 50 0 BFAARN CC(=O)c1sc(NCC(C)C)nc1C ZINC000003328126 388374131 /nfs/dbraw/zinc/37/41/31/388374131.db2.gz GSDFLUYSKSCYDS-UHFFFAOYSA-N 0 0 212.318 2.722 50 0 BFAARN C[C@H](CCO)Nc1ncc(Cl)cc1Cl ZINC000133390171 388384188 /nfs/dbraw/zinc/38/41/88/388384188.db2.gz XYMWZGDZNBTDBJ-ZCFIWIBFSA-N 0 0 235.114 2.571 50 0 BFAARN Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000003749228 388386789 /nfs/dbraw/zinc/38/67/89/388386789.db2.gz IMCTXRPTEAQXML-CYBMUJFWSA-N 0 0 247.338 2.600 50 0 BFAARN CC1(C)Cc2n[nH]c(-c3cccnc3)c2C(=O)C1 ZINC000004075052 388390627 /nfs/dbraw/zinc/39/06/27/388390627.db2.gz NNWACTABQWBOBT-UHFFFAOYSA-N 0 0 241.294 2.627 50 0 BFAARN c1nnc2nccc(-c3cccc4ccccc43)n12 ZINC000032091849 388391369 /nfs/dbraw/zinc/39/13/69/388391369.db2.gz CAZSVCOGDMIMFU-UHFFFAOYSA-N 0 0 246.273 2.945 50 0 BFAARN c1nnc2nccc(-c3cc4ccccc4o3)n12 ZINC000032089662 388391373 /nfs/dbraw/zinc/39/13/73/388391373.db2.gz SUQLGNDGOYGXIY-UHFFFAOYSA-N 0 0 236.234 2.538 50 0 BFAARN Clc1cc(Cl)cc(CCn2cncn2)c1 ZINC000193633199 388403319 /nfs/dbraw/zinc/40/33/19/388403319.db2.gz GMPBZCGSYKWOHT-UHFFFAOYSA-N 0 0 242.109 2.828 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)Nc1ccccc1OC(F)F ZINC000009726547 388441448 /nfs/dbraw/zinc/44/14/48/388441448.db2.gz FBVJRBSAWHBLCJ-YUMQZZPRSA-N 0 0 241.237 2.883 50 0 BFAARN CN(Cc1ccco1)C(=O)C1CCCCC1 ZINC000033028176 388457053 /nfs/dbraw/zinc/45/70/53/388457053.db2.gz JGESWFYDDWCAJT-UHFFFAOYSA-N 0 0 221.300 2.818 50 0 BFAARN Cc1c(N[C@H]2CCO[C@H]2C)cnn1C1CCCC1 ZINC000195456718 388471707 /nfs/dbraw/zinc/47/17/07/388471707.db2.gz PPBAZISJLKBGBZ-AAEUAGOBSA-N 0 0 249.358 2.896 50 0 BFAARN CCO[C@H]1C[C@@H](Nc2ccnc(C)n2)C12CCC2 ZINC000195531022 388477247 /nfs/dbraw/zinc/47/72/47/388477247.db2.gz MJXJMLWZXKLZPS-NEPJUHHUSA-N 0 0 247.342 2.545 50 0 BFAARN O=c1[nH]cccc1-c1ccc(F)cc1Cl ZINC000067787078 388407480 /nfs/dbraw/zinc/40/74/80/388407480.db2.gz MLQRZIKTVANCLO-UHFFFAOYSA-N 0 0 223.634 2.834 50 0 BFAARN CCOC(=O)/C=C/c1ccc(NC(=O)CC)cc1 ZINC000008777233 388408590 /nfs/dbraw/zinc/40/85/90/388408590.db2.gz MLSCLKJEQWWMLY-JXMROGBWSA-N 0 0 247.294 2.611 50 0 BFAARN COc1ccc(OCc2cccnc2)cc1C ZINC000193647138 388409521 /nfs/dbraw/zinc/40/95/21/388409521.db2.gz BEBDCBDRAYDQLZ-UHFFFAOYSA-N 0 0 229.279 2.978 50 0 BFAARN Cc1nc(C(=O)Oc2ccccc2F)cs1 ZINC000069311817 388414282 /nfs/dbraw/zinc/41/42/82/388414282.db2.gz NTZGUQHCFGYNDT-UHFFFAOYSA-N 0 0 237.255 2.810 50 0 BFAARN Cc1nc(C)c(C(=O)N2CCC[C@H](C)C2)s1 ZINC000069350342 388414493 /nfs/dbraw/zinc/41/44/93/388414493.db2.gz CZECUQSRDQRTGF-QMMMGPOBSA-N 0 0 238.356 2.632 50 0 BFAARN Cc1occc1C(=O)N(C(C)C)C1CC1 ZINC000069414832 388415219 /nfs/dbraw/zinc/41/52/19/388415219.db2.gz LOBDYPSDKSIEGX-UHFFFAOYSA-N 0 0 207.273 2.601 50 0 BFAARN CCOc1ccc(NC(=O)c2ccc[nH]2)cc1 ZINC000069454420 388416418 /nfs/dbraw/zinc/41/64/18/388416418.db2.gz PHSLLDAFOINEOB-UHFFFAOYSA-N 0 0 230.267 2.666 50 0 BFAARN CC(C)[C@H](C)NC(=O)CCc1cccc(F)c1 ZINC000040476643 388417436 /nfs/dbraw/zinc/41/74/36/388417436.db2.gz QRWJDZUFSHDSEY-NSHDSACASA-N 0 0 237.318 2.919 50 0 BFAARN Cc1occc1C(=O)N[C@H]1CCCc2occc21 ZINC000069530238 388419179 /nfs/dbraw/zinc/41/91/79/388419179.db2.gz KKTIJQCYBRSEGI-LBPRGKRZSA-N 0 0 245.278 2.988 50 0 BFAARN Cc1ccc(C(=O)Nc2ccncc2C)c(O)c1 ZINC000069586132 388421423 /nfs/dbraw/zinc/42/14/23/388421423.db2.gz MSOJRDHTEMKILP-UHFFFAOYSA-N 0 0 242.278 2.656 50 0 BFAARN CC(C)(C)CC(=O)Nc1ccc(F)cn1 ZINC000069666088 388424108 /nfs/dbraw/zinc/42/41/08/388424108.db2.gz NIGFKCFZPPWEPD-UHFFFAOYSA-N 0 0 210.252 2.595 50 0 BFAARN C[C@H](NC(=O)c1cnc[nH]1)c1ccc(Cl)cc1 ZINC000069775917 388426345 /nfs/dbraw/zinc/42/63/45/388426345.db2.gz OBICEECTMJTECW-QMMMGPOBSA-N 0 0 249.701 2.554 50 0 BFAARN COC(C)(C)C[C@@H](C)NC(=O)c1ccccc1C ZINC000173815839 388431199 /nfs/dbraw/zinc/43/11/99/388431199.db2.gz JQOFAWIPXIBANX-GFCCVEGCSA-N 0 0 249.354 2.928 50 0 BFAARN CN(Cc1ccco1)C(=O)Cc1cccs1 ZINC000041296223 388434344 /nfs/dbraw/zinc/43/43/44/388434344.db2.gz BFBIOHXFRBRHSD-UHFFFAOYSA-N 0 0 235.308 2.542 50 0 BFAARN Cc1cc(C(=O)N2CCC(C)CC2)cs1 ZINC000016603888 177748970 /nfs/dbraw/zinc/74/89/70/177748970.db2.gz IATSAKVSQUOWTA-UHFFFAOYSA-N 0 0 223.341 2.929 50 0 BFAARN O=Cc1cccc(OC(=O)/C=C/c2ccco2)c1 ZINC000009553491 388437974 /nfs/dbraw/zinc/43/79/74/388437974.db2.gz YPZQOGXDABJTKM-VOTSOKGWSA-N 0 0 242.230 2.711 50 0 BFAARN CCCCS(=O)(=O)/C=C/c1ccccc1 ZINC000002077535 388438759 /nfs/dbraw/zinc/43/87/59/388438759.db2.gz MIVYUWYOOIZUCC-PKNBQFBNSA-N 0 0 224.325 2.872 50 0 BFAARN c1cn(-c2ccc(SC3CCCC3)nn2)cn1 ZINC000070688644 388439561 /nfs/dbraw/zinc/43/95/61/388439561.db2.gz FZMWBZOVHHFQKK-UHFFFAOYSA-N 0 0 246.339 2.697 50 0 BFAARN Cc1c(N[C@H]2CCO[C@@H]2C)cnn1C1CCCC1 ZINC000195456709 256783299 /nfs/dbraw/zinc/78/32/99/256783299.db2.gz PPBAZISJLKBGBZ-YPMHNXCESA-N 0 0 249.358 2.896 50 0 BFAARN CCCC(CCC)C(=O)Nc1cnn(C)c1C ZINC000178846783 388506160 /nfs/dbraw/zinc/50/61/60/388506160.db2.gz UPKAAWWUYFGMSC-UHFFFAOYSA-N 0 0 237.347 2.883 50 0 BFAARN Cn1cccc1C(=O)N(C1CCC1)C1CCC1 ZINC000253420147 388592052 /nfs/dbraw/zinc/59/20/52/388592052.db2.gz VDTVTAOMFLPYJP-UHFFFAOYSA-N 0 0 232.327 2.572 50 0 BFAARN CS[C@H]1CCC[C@@H](Nc2cnccn2)C1 ZINC000227358088 388595289 /nfs/dbraw/zinc/59/52/89/388595289.db2.gz BOWKSLVJJFNLCO-ZJUUUORDSA-N 0 0 223.345 2.563 50 0 BFAARN c1nnn(Cc2ccccc2)c1-c1ccccc1 ZINC000002386172 388676817 /nfs/dbraw/zinc/67/68/17/388676817.db2.gz VFESYJZBYQTPJA-UHFFFAOYSA-N 0 0 235.290 2.993 50 0 BFAARN Cc1cccc([C@H](C)Sc2cn[nH]n2)c1 ZINC000089669128 388739217 /nfs/dbraw/zinc/73/92/17/388739217.db2.gz ZLEILELGHBPPOT-VIFPVBQESA-N 0 0 219.313 2.966 50 0 BFAARN C[C@H](CO)SCc1ccc2ccccc2n1 ZINC000079101708 388745287 /nfs/dbraw/zinc/74/52/87/388745287.db2.gz OLRMHADPFNNGCW-SNVBAGLBSA-N 0 0 233.336 2.849 50 0 BFAARN CCCCN1CCn2c3ccccc3nc2C1 ZINC000019855373 388749548 /nfs/dbraw/zinc/74/95/48/388749548.db2.gz KQTROPRVGLIWKT-UHFFFAOYSA-N 0 0 229.327 2.652 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000012979427 388727001 /nfs/dbraw/zinc/72/70/01/388727001.db2.gz AHXDZHQQWSTZBK-BXKDBHETSA-N 0 0 237.730 2.954 50 0 BFAARN O=C(/C=C/Sc1ccccc1)NC1CC1 ZINC000007952955 388731469 /nfs/dbraw/zinc/73/14/69/388731469.db2.gz QPMVLVVINHJDKU-CMDGGOBGSA-N 0 0 219.309 2.571 50 0 BFAARN O=C(Nc1nccs1)C1(c2ccccc2)CC1 ZINC000007654694 388813537 /nfs/dbraw/zinc/81/35/37/388813537.db2.gz MUALFDFPKHNDAO-UHFFFAOYSA-N 0 0 244.319 2.813 50 0 BFAARN NC(=O)c1ccccc1Sc1ccccc1 ZINC000000084968 388800524 /nfs/dbraw/zinc/80/05/24/388800524.db2.gz CPTFVDLLWNPUGJ-UHFFFAOYSA-N 0 0 229.304 2.937 50 0 BFAARN CC[C@H](NCc1noc(C)n1)c1cccs1 ZINC000096013850 388804178 /nfs/dbraw/zinc/80/41/78/388804178.db2.gz JUJOHRBBVVCRSU-VIFPVBQESA-N 0 0 237.328 2.680 50 0 BFAARN c1ccc(OCCCOc2cccnc2)cc1 ZINC000096027756 388805312 /nfs/dbraw/zinc/80/53/12/388805312.db2.gz NIZPLNDIEUXCRP-UHFFFAOYSA-N 0 0 229.279 2.930 50 0 BFAARN CCC(CC)[S@](=O)Cc1ccn(C(C)C)n1 ZINC000095418332 388767730 /nfs/dbraw/zinc/76/77/30/388767730.db2.gz WWQIDMNTJRSOFT-INIZCTEOSA-N 0 0 242.388 2.901 50 0 BFAARN CCCc1nnc(S[C@@H](C)C(F)(F)F)[nH]1 ZINC000095427350 388769375 /nfs/dbraw/zinc/76/93/75/388769375.db2.gz VIMLJEZHQAARMR-YFKPBYRVSA-N 0 0 239.266 2.800 50 0 BFAARN CCc1ccccc1NC(=O)NC1CC1 ZINC000000397727 388812665 /nfs/dbraw/zinc/81/26/65/388812665.db2.gz UONZTMYMSIMVMF-UHFFFAOYSA-N 0 0 204.273 2.533 50 0 BFAARN Nc1cccc2cnc(Br)cc12 ZINC000095830767 388787590 /nfs/dbraw/zinc/78/75/90/388787590.db2.gz WJQGQRFILNUXDH-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN CCN(CC)c1nc(-c2cccc(OC)c2)no1 ZINC000021631191 388815518 /nfs/dbraw/zinc/81/55/18/388815518.db2.gz GWBLDZGHPZXAOH-UHFFFAOYSA-N 0 0 247.298 2.591 50 0 BFAARN CC(C)Cc1nnc(NCc2ccsc2)o1 ZINC000096494345 388822166 /nfs/dbraw/zinc/82/21/66/388822166.db2.gz NPRKBIGTKBPKQO-UHFFFAOYSA-N 0 0 237.328 2.942 50 0 BFAARN CCC[C@H](C)Nc1ccn(CC(F)F)n1 ZINC000097037892 388831689 /nfs/dbraw/zinc/83/16/89/388831689.db2.gz VUTVPZHVVFQQRU-QMMMGPOBSA-N 0 0 217.263 2.749 50 0 BFAARN C=Cn1cc(CN(C)[C@@H](C)c2ccccn2)cn1 ZINC000194587145 388835377 /nfs/dbraw/zinc/83/53/77/388835377.db2.gz QLCKOTCNWLPSPC-LBPRGKRZSA-N 0 0 242.326 2.572 50 0 BFAARN C[C@@H](O)c1ccc(CNc2ccc(F)cn2)cc1 ZINC000225818228 388847812 /nfs/dbraw/zinc/84/78/12/388847812.db2.gz XNJAOZJQFMDXEB-SNVBAGLBSA-N 0 0 246.285 2.886 50 0 BFAARN CCN(C)C(=O)c1ccc(SC)cc1 ZINC000097168710 169691597 /nfs/dbraw/zinc/69/15/97/169691597.db2.gz QKXIHQXCGZBDJS-UHFFFAOYSA-N 0 0 209.314 2.500 50 0 BFAARN C[C@@H]1CCCN(c2cc(N)c(N)cc2Cl)C1 ZINC000016606309 132244052 /nfs/dbraw/zinc/24/40/52/132244052.db2.gz JYLFDWIRLWPHAD-MRVPVSSYSA-N 0 0 239.750 2.741 50 0 BFAARN c1cc(C2CCN(c3cnccn3)CC2)cs1 ZINC000275005115 132305884 /nfs/dbraw/zinc/30/58/84/132305884.db2.gz OMKXUXDXBMOBMH-UHFFFAOYSA-N 0 0 245.351 2.922 50 0 BFAARN CN1CCCc2cc(Br)ccc21 ZINC000033426843 132335893 /nfs/dbraw/zinc/33/58/93/132335893.db2.gz NKEKGQRGDBWFBU-UHFFFAOYSA-N 0 0 226.117 2.832 50 0 BFAARN O=C(c1ccco1)N1CCCc2ccccc21 ZINC000000030003 132312451 /nfs/dbraw/zinc/31/24/51/132312451.db2.gz AUVIAMIAKQCCRK-UHFFFAOYSA-N 0 0 227.263 2.873 50 0 BFAARN Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000000157383 132312836 /nfs/dbraw/zinc/31/28/36/132312836.db2.gz NIGYLYWAEONQRX-UHFFFAOYSA-N 0 0 210.708 2.913 50 0 BFAARN Cc1cccc2c(C)cc(N3CCOCC3)nc12 ZINC000000304269 132313353 /nfs/dbraw/zinc/31/33/53/132313353.db2.gz TZOKKBDHYLJNDY-UHFFFAOYSA-N 0 0 242.322 2.688 50 0 BFAARN CN1c2ccccc2C(=O)N[C@H]1[C@H]1CC=CCC1 ZINC000001033201 132313921 /nfs/dbraw/zinc/31/39/21/132313921.db2.gz KYUVQEQHOIPTET-SMDDNHRTSA-N 0 0 242.322 2.549 50 0 BFAARN O=C1CCCCN1c1cccc(Cl)c1 ZINC000002524359 132314814 /nfs/dbraw/zinc/31/48/14/132314814.db2.gz QMCIOETXUFJTAK-UHFFFAOYSA-N 0 0 209.676 2.857 50 0 BFAARN CN1c2ccccc2C(=O)N[C@@H]1[C@H]1CC=CCC1 ZINC000004299818 132316521 /nfs/dbraw/zinc/31/65/21/132316521.db2.gz KYUVQEQHOIPTET-FZMZJTMJSA-N 0 0 242.322 2.549 50 0 BFAARN CCCc1nc(C)cc(N2CCC[C@@H](C)C2)n1 ZINC000006767914 132318406 /nfs/dbraw/zinc/31/84/06/132318406.db2.gz PZUAASZVEFRTDO-LLVKDONJSA-N 0 0 233.359 2.974 50 0 BFAARN COc1ccc2c(c1)CCCN2C(=O)C1CCC1 ZINC000032848570 132335450 /nfs/dbraw/zinc/33/54/50/132335450.db2.gz XNKIJMCZSZIROV-UHFFFAOYSA-N 0 0 245.322 2.775 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N1CCSc2ccccc21 ZINC000032997913 132335838 /nfs/dbraw/zinc/33/58/38/132335838.db2.gz ADUTZESNAHBXLO-NXEZZACHSA-N 0 0 233.336 2.781 50 0 BFAARN CC[C@@H]1CCCCN1c1cncc(Cl)n1 ZINC000042783560 132352570 /nfs/dbraw/zinc/35/25/70/132352570.db2.gz XQSPNJRZTZGASO-SECBINFHSA-N 0 0 225.723 2.899 50 0 BFAARN Cc1ccoc1C(=O)N1CCOc2ccccc21 ZINC000048304034 132355296 /nfs/dbraw/zinc/35/52/96/132355296.db2.gz JHSXPZXURRLITM-UHFFFAOYSA-N 0 0 243.262 2.627 50 0 BFAARN Cc1ccc(N2C=CC(C)(C)NC2=S)cc1 ZINC000056687968 132365591 /nfs/dbraw/zinc/36/55/91/132365591.db2.gz BWCPFEKTOZGNFA-UHFFFAOYSA-N 0 0 232.352 2.982 50 0 BFAARN Cc1cc(N2CCCC[C@H]2C)ccc1N ZINC000059233855 132368608 /nfs/dbraw/zinc/36/86/08/132368608.db2.gz TZGRJKIRIAWBQL-LLVKDONJSA-N 0 0 204.317 2.956 50 0 BFAARN O=S1(=O)C=C2CCCCCN2c2ccccc21 ZINC000067340807 132390468 /nfs/dbraw/zinc/39/04/68/132390468.db2.gz RPDMFKXSKGIZEX-UHFFFAOYSA-N 0 0 249.335 2.696 50 0 BFAARN CSc1ccc(N2CC[C@H]3CCCC[C@H]32)nn1 ZINC000253618457 133655703 /nfs/dbraw/zinc/65/57/03/133655703.db2.gz IJFVEPXYQQMYHC-GHMZBOCLSA-N 0 0 249.383 2.967 50 0 BFAARN O=C(Nc1nccs1)[C@@H]1CCC[C@@H](F)C1 ZINC000335106667 133775643 /nfs/dbraw/zinc/77/56/43/133775643.db2.gz BTXIJIZEWXAKDT-HTQZYQBOSA-N 0 0 228.292 2.610 50 0 BFAARN Cc1ccccc1N1NC2(CCCCC2)NC1=O ZINC000334160904 134159958 /nfs/dbraw/zinc/15/99/58/134159958.db2.gz OHPCHOPFHIZRJI-UHFFFAOYSA-N 0 0 245.326 2.690 50 0 BFAARN Cc1nc(CO[C@@H]2CCCc3c[nH]nc32)oc1C ZINC000188930820 134538041 /nfs/dbraw/zinc/53/80/41/134538041.db2.gz QEJZYKDKSMCAFC-LLVKDONJSA-N 0 0 247.298 2.609 50 0 BFAARN c1cnc2ccc(OC[C@H]3CCOC3)cc2c1 ZINC000078990589 135265200 /nfs/dbraw/zinc/26/52/00/135265200.db2.gz HWIXUGXUUCXERO-NSHDSACASA-N 0 0 229.279 2.650 50 0 BFAARN CCC(CC)(C[NH2+][C@@H]1CC[C@H](C)C1)C(=O)[O-] ZINC000263061117 135329617 /nfs/dbraw/zinc/32/96/17/135329617.db2.gz MVDCRSGIRHZYEJ-WDEREUQCSA-N 0 0 227.348 2.656 50 0 BFAARN O=C1Cc2c(c(Cl)ccc2Br)N1 ZINC000086569817 135493121 /nfs/dbraw/zinc/49/31/21/135493121.db2.gz XIFTVVBPHKXVIO-UHFFFAOYSA-N 0 0 246.491 2.597 50 0 BFAARN CC[C@H]1CCCN(C(=O)[C@H]2CCCS2)C1 ZINC000089948292 135543472 /nfs/dbraw/zinc/54/34/72/135543472.db2.gz JLMMBFMKXYIXQH-WDEREUQCSA-N 0 0 227.373 2.531 50 0 BFAARN Cc1ncc(Cn2cnc3ccccc32)s1 ZINC000095955076 135625483 /nfs/dbraw/zinc/62/54/83/135625483.db2.gz CGUFTBQDDZRCPU-UHFFFAOYSA-N 0 0 229.308 2.850 50 0 BFAARN Cc1cccc(NC(=O)C2CC(F)(F)C2)c1 ZINC000335351900 136069570 /nfs/dbraw/zinc/06/95/70/136069570.db2.gz LXVWKIBVMVGDFD-UHFFFAOYSA-N 0 0 225.238 2.979 50 0 BFAARN Cc1c(NC2CCCCC2)cnn1[C@H]1CCOC1 ZINC000335576519 136111087 /nfs/dbraw/zinc/11/10/87/136111087.db2.gz NFOMZMXTQCMKKD-ZDUSSCGKSA-N 0 0 249.358 2.898 50 0 BFAARN CC(C)c1noc(N2C[C@H]3CC=CC[C@@H]3C2)n1 ZINC000098013793 397804433 /nfs/dbraw/zinc/80/44/33/397804433.db2.gz ZVTKARIFQGIXJP-GHMZBOCLSA-N 0 0 233.315 2.595 50 0 BFAARN Cc1ccc(C)c(CC(=O)NCc2ccco2)c1 ZINC000020457009 397965596 /nfs/dbraw/zinc/96/55/96/397965596.db2.gz UMGDDHPTFKOHME-UHFFFAOYSA-N 0 0 243.306 2.755 50 0 BFAARN O=C(CCc1ccccc1)Nc1ccccn1 ZINC000000432058 397914669 /nfs/dbraw/zinc/91/46/69/397914669.db2.gz KQDIISKPSSJLBO-UHFFFAOYSA-N 0 0 226.279 2.653 50 0 BFAARN Cc1ccc(Cl)cc1NC(=O)c1cnccn1 ZINC000000433683 397914720 /nfs/dbraw/zinc/91/47/20/397914720.db2.gz ONUAKLGDZYHNHN-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN COC(=O)c1ccc(-c2ccc(F)cc2)nc1C ZINC000000340711 397914774 /nfs/dbraw/zinc/91/47/74/397914774.db2.gz QVFUAYVAEHAYQF-UHFFFAOYSA-N 0 0 245.253 2.983 50 0 BFAARN CC[C@@H]1Nc2ccccc2[C@@H]2OCC[C@@H]21 ZINC000238278768 397921078 /nfs/dbraw/zinc/92/10/78/397921078.db2.gz GUSGKWWFAZQHTF-MDZLAQPJSA-N 0 0 203.285 2.968 50 0 BFAARN COc1cc2c(C)c(C=O)[nH]c2c(C)c1 ZINC000082592548 398067654 /nfs/dbraw/zinc/06/76/54/398067654.db2.gz CJDDZFJISYXEQP-UHFFFAOYSA-N 0 0 203.241 2.606 50 0 BFAARN Fc1ccc(CNc2ncccn2)c(Cl)c1 ZINC000083365302 398067658 /nfs/dbraw/zinc/06/76/58/398067658.db2.gz HHMXUNZDFOXBFM-UHFFFAOYSA-N 0 0 237.665 2.881 50 0 BFAARN O=Cc1c(Cl)cc(Cl)nc1Cl ZINC000059496372 398074699 /nfs/dbraw/zinc/07/46/99/398074699.db2.gz RESMQRUOHBZJCA-UHFFFAOYSA-N 0 0 210.447 2.854 50 0 BFAARN CCCC(=O)N[C@@H]1CCC[C@H]1SCC ZINC000096450668 398079202 /nfs/dbraw/zinc/07/92/02/398079202.db2.gz KSALHUBUULOPBW-NXEZZACHSA-N 0 0 215.362 2.577 50 0 BFAARN Cc1cccc(C(=O)Nc2ccc(Cl)cn2)n1 ZINC000024934437 322865847 /nfs/dbraw/zinc/86/58/47/322865847.db2.gz LLQFFQFZVGFPBB-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN CC(C)NC(=O)N[C@@H](C)c1cccc(F)c1 ZINC000048289236 167075880 /nfs/dbraw/zinc/07/58/80/167075880.db2.gz YFINHNCIKMFMSN-VIFPVBQESA-N 0 0 224.279 2.594 50 0 BFAARN CC(C)NC(=O)Nc1ccccc1Cl ZINC000000396319 167078308 /nfs/dbraw/zinc/07/83/08/167078308.db2.gz SVBJJVCHSIPCIM-UHFFFAOYSA-N 0 0 212.680 2.870 50 0 BFAARN CC(C)NC(=O)[C@H]1CCCc2ccccc21 ZINC000013022017 167084455 /nfs/dbraw/zinc/08/44/55/167084455.db2.gz SXCAVZFMHYAVRF-ZDUSSCGKSA-N 0 0 217.312 2.631 50 0 BFAARN CC(C)N=C1NN=C(c2cccs2)CS1 ZINC000006049394 167095993 /nfs/dbraw/zinc/09/59/93/167095993.db2.gz JZGCHRQNUFEPRL-UHFFFAOYSA-N 0 0 239.369 2.553 50 0 BFAARN CC(C)S(=O)(=O)c1cccc(Cl)c1 ZINC000096024741 167321528 /nfs/dbraw/zinc/32/15/28/167321528.db2.gz IZGZMLDVYITHEE-UHFFFAOYSA-N 0 0 218.705 2.522 50 0 BFAARN CC(C)Cc1nc2c[nH]n(CC(C)C)c-2n1 ZINC000048159139 409651206 /nfs/dbraw/zinc/65/12/06/409651206.db2.gz DIFJBMPUWGAPNU-UHFFFAOYSA-N 0 0 220.320 2.614 50 0 BFAARN CCCCCC(O)=CC(=O)C(F)(F)F ZINC000101020100 409820840 /nfs/dbraw/zinc/82/08/40/409820840.db2.gz WTGJRAPUILKZRW-UHFFFAOYSA-N 0 0 210.195 2.657 50 0 BFAARN Cc1cc(C)c(NC(=O)c2ccco2)c(C)n1 ZINC000097039888 410041709 /nfs/dbraw/zinc/04/17/09/410041709.db2.gz NGXXMPWFNNCOKD-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN Brc1ccc2c(c1)COCC2 ZINC000039018981 166099416 /nfs/dbraw/zinc/09/94/16/166099416.db2.gz CHBQZLRHIRLMBX-UHFFFAOYSA-N 0 0 213.074 2.522 50 0 BFAARN Brc1cccc(-c2ccccn2)n1 ZINC000016545992 166100041 /nfs/dbraw/zinc/10/00/41/166100041.db2.gz NCRIDSGPLISUEU-UHFFFAOYSA-N 0 0 235.084 2.906 50 0 BFAARN Brc1ccccc1-c1c[nH]cn1 ZINC000021953255 166101248 /nfs/dbraw/zinc/10/12/48/166101248.db2.gz FELOTSCACKQLHT-UHFFFAOYSA-N 0 0 223.073 2.839 50 0 BFAARN Brc1cccc2ncccc12 ZINC000000331139 166101374 /nfs/dbraw/zinc/10/13/74/166101374.db2.gz CHODTZCXWXCALP-UHFFFAOYSA-N 0 0 208.058 2.997 50 0 in-vitro BFAARN Brc1cccc2c1NCCC2 ZINC000022216611 166101772 /nfs/dbraw/zinc/10/17/72/166101772.db2.gz CGKLHAZLSZWPPY-UHFFFAOYSA-N 0 0 212.090 2.807 50 0 BFAARN Brc1cccc2cccnc12 ZINC000000158601 166102086 /nfs/dbraw/zinc/10/20/86/166102086.db2.gz PIWNKSHCLTZKSZ-UHFFFAOYSA-N 0 0 208.058 2.997 50 0 BFAARN Brc1cccc(Br)n1 ZINC000000164590 166102136 /nfs/dbraw/zinc/10/21/36/166102136.db2.gz FEYDZHNIIMENOB-UHFFFAOYSA-N 0 0 236.894 2.607 50 0 BFAARN C[C@H]1CCCCN1c1ccnc(C2CC2)n1 ZINC000112963539 410247326 /nfs/dbraw/zinc/24/73/26/410247326.db2.gz YXIJUPBGZSHHIM-JTQLQIEISA-N 0 0 217.316 2.733 50 0 BFAARN Brc1cnn(Cc2ccccc2)c1 ZINC000004857228 166106454 /nfs/dbraw/zinc/10/64/54/166106454.db2.gz QKTAXFTZNKXHMW-UHFFFAOYSA-N 0 0 237.100 2.694 50 0 BFAARN C/C(=C/C(=O)N[C@H](C)c1ccccn1)C1CC1 ZINC000054981681 166231578 /nfs/dbraw/zinc/23/15/78/166231578.db2.gz CFGXIDYFKGTKHP-DWOQACPDSA-N 0 0 230.311 2.615 50 0 BFAARN CCN(CC)C(=O)[C@@H]1CCCc2ccccc21 ZINC000032755289 169756402 /nfs/dbraw/zinc/75/64/02/169756402.db2.gz OUGXDIWHVPMEKI-CQSZACIVSA-N 0 0 231.339 2.975 50 0 BFAARN CC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000001845858 166433905 /nfs/dbraw/zinc/43/39/05/166433905.db2.gz FBGHCYZBCMDEOX-UHFFFAOYSA-N 0 0 210.101 2.585 50 0 BFAARN CC(=O)c1cc(C(=O)OC2CCCCC2)n(C)c1 ZINC000095972204 166440896 /nfs/dbraw/zinc/44/08/96/166440896.db2.gz MDVQLCCGVAESKM-UHFFFAOYSA-N 0 0 249.310 2.717 50 0 BFAARN CCN(CC)C(=O)n1cnc2cc(C)c(C)cc21 ZINC000000152109 169761928 /nfs/dbraw/zinc/76/19/28/169761928.db2.gz FVQHLZLJULXAGA-UHFFFAOYSA-N 0 0 245.326 2.963 50 0 BFAARN CC(C)(C)C(=O)Nc1ccc(F)cc1F ZINC000002568853 166533803 /nfs/dbraw/zinc/53/38/03/166533803.db2.gz JHEVHMUNERDXND-UHFFFAOYSA-N 0 0 213.227 2.949 50 0 BFAARN CC(C)(C)C(=O)Nc1cncc(Cl)c1 ZINC000006643315 166535880 /nfs/dbraw/zinc/53/58/80/166535880.db2.gz TXYASGLTJVGMHT-UHFFFAOYSA-N 0 0 212.680 2.720 50 0 BFAARN CC(C)(C)NC(=S)Nc1cccc(F)c1 ZINC000000460315 166630329 /nfs/dbraw/zinc/63/03/29/166630329.db2.gz UCNUGBFWAWHKAV-UHFFFAOYSA-N 0 0 226.320 2.911 50 0 BFAARN CC(C)(C)OC(=O)c1ccnc(Cl)c1 ZINC000002524959 166674882 /nfs/dbraw/zinc/67/48/82/166674882.db2.gz FPUSSPQEUANTGI-UHFFFAOYSA-N 0 0 213.664 2.690 50 0 BFAARN CC(C)CCCNC(=O)c1cccc2c[nH]nc21 ZINC000025328543 166811580 /nfs/dbraw/zinc/81/15/80/166811580.db2.gz KECWDFOJAIGIJT-UHFFFAOYSA-N 0 0 245.326 2.729 50 0 BFAARN CC(C)CCC[S@@](=O)Cc1ccccn1 ZINC000191200171 166824684 /nfs/dbraw/zinc/82/46/84/166824684.db2.gz IYVJFUYAMICTPU-OAHLLOKOSA-N 0 0 225.357 2.767 50 0 BFAARN CN1c2ccccc2N=C(C(F)(F)F)CC1=O ZINC000102505065 410841567 /nfs/dbraw/zinc/84/15/67/410841567.db2.gz BZPYTOLPICBCIY-UHFFFAOYSA-N 0 0 242.200 2.688 50 0 BFAARN CC[C@H]1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000103316149 410888085 /nfs/dbraw/zinc/88/80/85/410888085.db2.gz CSWKRPDFXPKSRN-GFCCVEGCSA-N 0 0 216.284 2.744 50 0 BFAARN CC(C)NC(=O)CNc1cccc2c1CCCC2 ZINC000009155223 167061725 /nfs/dbraw/zinc/06/17/25/167061725.db2.gz BMJNJWPYSXDADJ-UHFFFAOYSA-N 0 0 246.354 2.502 50 0 BFAARN CC(C)NC(=O)Cc1ccc2ccccc2c1 ZINC000007038733 167065231 /nfs/dbraw/zinc/06/52/31/167065231.db2.gz IVMDQDANFDKDRZ-UHFFFAOYSA-N 0 0 227.307 2.907 50 0 BFAARN CC(C)NC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000020538295 167077472 /nfs/dbraw/zinc/07/74/72/167077472.db2.gz IKTZCKINWDCUSW-SECBINFHSA-N 0 0 224.279 2.594 50 0 BFAARN CC(C)NC(=O)Oc1cccc(Cl)c1 ZINC000000135181 167079533 /nfs/dbraw/zinc/07/95/33/167079533.db2.gz LENFVQQADPMMDM-UHFFFAOYSA-N 0 0 213.664 2.837 50 0 BFAARN CC(C)NC(=O)c1ccc(C(C)C)cc1 ZINC000000442499 167087235 /nfs/dbraw/zinc/08/72/35/167087235.db2.gz QWXBVRRUKZHDQL-UHFFFAOYSA-N 0 0 205.301 2.948 50 0 BFAARN CC(C)NC(=O)c1ccccc1Br ZINC000002493713 167090804 /nfs/dbraw/zinc/09/08/04/167090804.db2.gz MTAGIJZTHYEKKP-UHFFFAOYSA-N 0 0 242.116 2.587 50 0 BFAARN CC(C)NC(=S)NCc1cccc(Cl)c1 ZINC000007571309 167093234 /nfs/dbraw/zinc/09/32/34/167093234.db2.gz ALOXYTLGSKSYPA-UHFFFAOYSA-N 0 0 242.775 2.713 50 0 BFAARN CC(C)Nc1ncnc2ccc(F)cc21 ZINC000041470854 167151933 /nfs/dbraw/zinc/15/19/33/167151933.db2.gz YUKLFGAFBAAIHF-UHFFFAOYSA-N 0 0 205.236 2.589 50 0 BFAARN CC(C)Oc1cccc(C(F)(F)F)n1 ZINC000065337534 167304174 /nfs/dbraw/zinc/30/41/74/167304174.db2.gz HOZWPCFCUHYPBH-UHFFFAOYSA-N 0 0 205.179 2.888 50 0 BFAARN CC(C)Sc1ccc(Cc2nnc(N)o2)cc1 ZINC000056900933 167337041 /nfs/dbraw/zinc/33/70/41/167337041.db2.gz WIKROWXBKHMYKB-UHFFFAOYSA-N 0 0 249.339 2.743 50 0 BFAARN CC(C)Sc1nc(Br)ns1 ZINC000049582301 167337982 /nfs/dbraw/zinc/33/79/82/167337982.db2.gz OGWQEFUXUMZTJI-UHFFFAOYSA-N 0 0 239.163 2.801 50 0 BFAARN CC(C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000071774236 167340889 /nfs/dbraw/zinc/34/08/89/167340889.db2.gz BDYVUSBLLCWPKJ-GFCCVEGCSA-N 0 0 205.301 2.514 50 0 BFAARN CC(C)[C@@H](CC(N)=O)c1c[nH]c2ccccc21 ZINC000101788988 167389444 /nfs/dbraw/zinc/38/94/44/167389444.db2.gz LXRQEUSONQVVAG-LLVKDONJSA-N 0 0 230.311 2.783 50 0 BFAARN CC(C)[C@@H](NC(=O)c1ccn[nH]1)c1cccs1 ZINC000040513598 167429042 /nfs/dbraw/zinc/42/90/42/167429042.db2.gz IIRDVOUWECWMNN-LLVKDONJSA-N 0 0 249.339 2.598 50 0 BFAARN CC(C)c1cc(NCC2(CO)CCCC2)ncn1 ZINC000095374276 167575244 /nfs/dbraw/zinc/57/52/44/167575244.db2.gz YDMZHIVNOLBAEM-UHFFFAOYSA-N 0 0 249.358 2.565 50 0 BFAARN CC(C)c1ccc(CSCC(N)=O)cc1 ZINC000012593727 167599723 /nfs/dbraw/zinc/59/97/23/167599723.db2.gz WXJNKBDSLNQMDG-UHFFFAOYSA-N 0 0 223.341 2.529 50 0 BFAARN CC(C)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000012982571 167632888 /nfs/dbraw/zinc/63/28/88/167632888.db2.gz ZPCYTWDWJTTYLP-CYBMUJFWSA-N 0 0 233.311 2.928 50 0 BFAARN CSCCn1c2ccccc2sc1=N ZINC000201336818 411140012 /nfs/dbraw/zinc/14/00/12/411140012.db2.gz QXKLGQHXJYYLRO-UHFFFAOYSA-N 0 0 224.354 2.545 50 0 BFAARN CC(C)c1cnc(NCc2ccnn2C)s1 ZINC000096013706 167650581 /nfs/dbraw/zinc/65/05/81/167650581.db2.gz CIEVSRSEHWHLOH-UHFFFAOYSA-N 0 0 236.344 2.612 50 0 BFAARN C[C@H](NC(=O)OCC(F)(F)F)c1ccco1 ZINC000044980546 411142953 /nfs/dbraw/zinc/14/29/53/411142953.db2.gz IDUXJFCMFFQLPY-LURJTMIESA-N 0 0 237.177 2.629 50 0 BFAARN CCN(C(=O)NC1CC1)[C@H](C)c1cccc(O)c1 ZINC000049127411 411225314 /nfs/dbraw/zinc/22/53/14/411225314.db2.gz WCMDAFVCOHNGLJ-SNVBAGLBSA-N 0 0 248.326 2.647 50 0 BFAARN Cc1c(C(=O)N(C)C)cc(-c2ccccc2)n1C ZINC000064551480 411270295 /nfs/dbraw/zinc/27/02/95/411270295.db2.gz FZSFCIYFYRESFZ-UHFFFAOYSA-N 0 0 242.322 2.702 50 0 BFAARN CC1(C)CC(C=Cc2ccccc2)=NC(=O)N1 ZINC000000051172 167881415 /nfs/dbraw/zinc/88/14/15/167881415.db2.gz IGIXVEPIBCBDMH-CMDGGOBGSA-N 0 0 228.295 2.675 50 0 BFAARN CC1(C)[C@@H]2C[C@H]1C(CCn1cnnc1)=CC2 ZINC000065534672 168009640 /nfs/dbraw/zinc/00/96/40/168009640.db2.gz IZOFPRLZXIXVEA-RYUDHWBXSA-N 0 0 217.316 2.661 50 0 BFAARN CC1(CNC(=O)Cc2cccc(F)c2)CCC1 ZINC000075105501 168030704 /nfs/dbraw/zinc/03/07/04/168030704.db2.gz OLSDXAWUJDWZGN-UHFFFAOYSA-N 0 0 235.302 2.675 50 0 BFAARN CC1(c2csc(-c3cc[nH]n3)n2)CC1 ZINC000336468507 168073166 /nfs/dbraw/zinc/07/31/66/168073166.db2.gz DDFQCDBALFFBPJ-UHFFFAOYSA-N 0 0 205.286 2.585 50 0 BFAARN Cc1ncccc1C(=O)N1CCC(C)=C(C)C1 ZINC000225469830 168083554 /nfs/dbraw/zinc/08/35/54/168083554.db2.gz XAGAMJUJYZIQBA-UHFFFAOYSA-N 0 0 230.311 2.572 50 0 BFAARN CC1C(=O)C(=O)O[C@@H]1c1c(F)cccc1Cl ZINC000020421186 168088185 /nfs/dbraw/zinc/08/81/85/168088185.db2.gz IBXNVSVLCYVZSS-JTQLQIEISA-N 0 0 242.633 2.909 50 0 BFAARN CC1=CC[C@@H](C(N)=O)[C@@H](c2ccc(F)cc2)C1 ZINC000004784973 168117769 /nfs/dbraw/zinc/11/77/69/168117769.db2.gz CRWYRQUYJZNOMC-CHWSQXEVSA-N 0 0 233.286 2.751 50 0 BFAARN CC1=NC(=S)N[C@@H](c2ccccc2)C1 ZINC000000324748 168132337 /nfs/dbraw/zinc/13/23/37/168132337.db2.gz KHCZLACEZABOFR-SNVBAGLBSA-N 0 0 204.298 2.521 50 0 BFAARN Cc1cc(=O)n(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000100213950 168134364 /nfs/dbraw/zinc/13/43/64/168134364.db2.gz FLRFRVFQDVMRPE-UHFFFAOYSA-N 0 0 242.200 2.818 50 0 BFAARN CC1CCC(NC(=O)CCc2ccco2)CC1 ZINC000040473732 168161756 /nfs/dbraw/zinc/16/17/56/168161756.db2.gz QXMRTHWVYHFLGS-UHFFFAOYSA-N 0 0 235.327 2.907 50 0 BFAARN C[C@@H](CC(F)F)C(=O)N1CCC(C)CC1 ZINC000336282213 168174860 /nfs/dbraw/zinc/17/48/60/168174860.db2.gz HFLSGZIIJJILPE-VIFPVBQESA-N 0 0 219.275 2.536 50 0 BFAARN CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000000139354 168175081 /nfs/dbraw/zinc/17/50/81/168175081.db2.gz GIAPKBPEDIJWCI-UHFFFAOYSA-N 0 0 218.300 2.950 50 0 BFAARN CC1CCN(C(=O)c2ccc(Cl)nc2)CC1 ZINC000001463606 168176479 /nfs/dbraw/zinc/17/64/79/168176479.db2.gz HFUXHFSZHKPOCB-UHFFFAOYSA-N 0 0 238.718 2.607 50 0 BFAARN C[C@@H](c1nc(C2CC2)no1)N1CCC(C)CC1 ZINC000051210228 168186369 /nfs/dbraw/zinc/18/63/69/168186369.db2.gz KKRJNSSCRIDACJ-JTQLQIEISA-N 0 0 235.331 2.740 50 0 BFAARN CCC(=O)CSc1ccc(NC(C)=O)cc1 ZINC000050182024 168210268 /nfs/dbraw/zinc/21/02/68/168210268.db2.gz YOLIUXFHBMXWQN-UHFFFAOYSA-N 0 0 237.324 2.716 50 0 BFAARN CCC(=O)N1CCC(Cc2cccs2)CC1 ZINC000040621555 168215918 /nfs/dbraw/zinc/21/59/18/168215918.db2.gz ZLMFZFZGFAUPKZ-UHFFFAOYSA-N 0 0 237.368 2.939 50 0 BFAARN CCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000032819496 168218057 /nfs/dbraw/zinc/21/80/57/168218057.db2.gz WEJKDJNGWBEPQM-CYBMUJFWSA-N 0 0 233.311 2.769 50 0 BFAARN CCC(=O)N1CCC[C@H]1c1ccsc1 ZINC000040534462 168219490 /nfs/dbraw/zinc/21/94/90/168219490.db2.gz NHOGSXSEOKVNTK-JTQLQIEISA-N 0 0 209.314 2.822 50 0 BFAARN CCC(=O)N1CCC[C@H]1c1cccc(OC)c1 ZINC000040487653 168220418 /nfs/dbraw/zinc/22/04/18/168220418.db2.gz GOHKPSCRGCKJMF-ZDUSSCGKSA-N 0 0 233.311 2.769 50 0 BFAARN CCC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000076230424 168232781 /nfs/dbraw/zinc/23/27/81/168232781.db2.gz OYIMECLCIAGYMD-UHFFFAOYSA-N 0 0 249.207 2.871 50 0 BFAARN CCC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000053197289 168233223 /nfs/dbraw/zinc/23/32/23/168233223.db2.gz RFBIIXCJFYHQCT-UHFFFAOYSA-N 0 0 231.217 2.732 50 0 BFAARN CCC(=O)NCc1ccc(F)cc1CSC ZINC000087435460 168233823 /nfs/dbraw/zinc/23/38/23/168233823.db2.gz IPAKNFHLKPOMMB-UHFFFAOYSA-N 0 0 241.331 2.715 50 0 BFAARN CCC(=O)N[C@H](C)c1cc(C)sc1C ZINC000036393856 168239347 /nfs/dbraw/zinc/23/93/47/168239347.db2.gz URSBLEDXQSWQFR-MRVPVSSYSA-N 0 0 211.330 2.952 50 0 BFAARN CCC(=O)N[C@H]1CCSc2ccccc21 ZINC000013011755 168241305 /nfs/dbraw/zinc/24/13/05/168241305.db2.gz NTYTVAAOVNPFEG-JTQLQIEISA-N 0 0 221.325 2.750 50 0 BFAARN CCC(=O)Nc1cc(C)nn1Cc1ccccc1 ZINC000048314899 168242242 /nfs/dbraw/zinc/24/22/42/168242242.db2.gz LUAKEKRWDUJZCD-UHFFFAOYSA-N 0 0 243.310 2.588 50 0 BFAARN CCC(=O)Nc1nc2ccc(F)cc2s1 ZINC000001263937 168248490 /nfs/dbraw/zinc/24/84/90/168248490.db2.gz KDWHBFKZKIQUST-UHFFFAOYSA-N 0 0 224.260 2.784 50 0 BFAARN CCC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000021149732 168248700 /nfs/dbraw/zinc/24/87/00/168248700.db2.gz KGVIWXNNQJUCQK-ZETCQYMHSA-N 0 0 224.329 2.616 50 0 BFAARN CCC(=O)Nc1nnc(-c2cc(C)ccc2C)o1 ZINC000005169667 168248964 /nfs/dbraw/zinc/24/89/64/168248964.db2.gz NXAMXFZJZDPSLC-UHFFFAOYSA-N 0 0 245.282 2.702 50 0 BFAARN CCC(=O)O[C@@H](C)C(Cl)(Cl)Cl ZINC000000164127 168249643 /nfs/dbraw/zinc/24/96/43/168249643.db2.gz VXRBEUCXWCLGJH-BYPYZUCNSA-N 0 0 219.495 2.698 50 0 BFAARN CCC(=O)O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CC=C[C@H]12 ZINC000195806851 168249745 /nfs/dbraw/zinc/24/97/45/168249745.db2.gz BLBJUGKATXCWET-HHHUOAJASA-N 0 0 206.285 2.540 50 0 biogenic BFAARN CCC(=O)Oc1ccc(Br)cc1 ZINC000001684248 168251646 /nfs/dbraw/zinc/25/16/46/168251646.db2.gz JPUYGYIPZTYGTI-UHFFFAOYSA-N 0 0 229.073 2.765 50 0 BFAARN CCC(=O)c1cc(F)c(OC)c(F)c1 ZINC000002584347 168255200 /nfs/dbraw/zinc/25/52/00/168255200.db2.gz KTBXQCVNEFDUCP-UHFFFAOYSA-N 0 0 200.184 2.566 50 0 BFAARN CCC(C)(C)C(=O)NCCNc1ccccc1 ZINC000096436730 168264981 /nfs/dbraw/zinc/26/49/81/168264981.db2.gz VXAWEQLMHHXLJO-UHFFFAOYSA-N 0 0 234.343 2.651 50 0 BFAARN CCC(C)(C)NC(=O)c1cc(C)oc1C ZINC000032666619 168296538 /nfs/dbraw/zinc/29/65/38/168296538.db2.gz FUFXLMPIYBIMIY-UHFFFAOYSA-N 0 0 209.289 2.815 50 0 BFAARN CCC(C)(C)c1nnc(NC(=O)C(C)C)s1 ZINC000002789158 168307584 /nfs/dbraw/zinc/30/75/84/168307584.db2.gz AUFZRPYATCKTNX-UHFFFAOYSA-N 0 0 241.360 2.820 50 0 BFAARN CCC(C)(CC)CCC(C(=O)OC)C(=O)OC ZINC000012359270 168307736 /nfs/dbraw/zinc/30/77/36/168307736.db2.gz AIUDWMLXCFRVDR-UHFFFAOYSA-N 0 0 244.331 2.555 50 0 BFAARN CCC(C)(CC)NC(=O)Nc1cc(C)on1 ZINC000072282422 168308310 /nfs/dbraw/zinc/30/83/10/168308310.db2.gz VMOCRIHGDAQXBK-UHFFFAOYSA-N 0 0 225.292 2.683 50 0 BFAARN CC(C)(C)C(=O)N1CCC2(CC2(F)F)CC1 ZINC000405136527 411418626 /nfs/dbraw/zinc/41/86/26/411418626.db2.gz UQMDLHQKEMOBMI-UHFFFAOYSA-N 0 0 231.286 2.680 50 0 BFAARN CCN1CCn2c(nc3cccc(Cl)c32)C1 ZINC000021799892 170025121 /nfs/dbraw/zinc/02/51/21/170025121.db2.gz XWSNHARAFDBUQK-UHFFFAOYSA-N 0 0 235.718 2.525 50 0 BFAARN CCNC(=O)CCCc1nc2ccccc2s1 ZINC000001462897 170049290 /nfs/dbraw/zinc/04/92/90/170049290.db2.gz GNEMRNVAJTVDKP-UHFFFAOYSA-N 0 0 248.351 2.755 50 0 BFAARN CCNC(=O)N(C)Cc1ccc(SC)cc1 ZINC000072537527 170072179 /nfs/dbraw/zinc/07/21/79/170072179.db2.gz KAYUWZGKZGEBOW-UHFFFAOYSA-N 0 0 238.356 2.570 50 0 BFAARN CCNC(=O)Nc1c(C)cccc1CC ZINC000000397029 170083840 /nfs/dbraw/zinc/08/38/40/170083840.db2.gz KEBWDCQJADRLGT-UHFFFAOYSA-N 0 0 206.289 2.699 50 0 BFAARN CCNC(=O)c1c(C)onc1-c1ccccc1F ZINC000064551818 170099199 /nfs/dbraw/zinc/09/91/99/170099199.db2.gz RUWAQKDJCUOWPY-UHFFFAOYSA-N 0 0 248.257 2.539 50 0 BFAARN CCNC(=O)c1cccc(-c2cccc(N)c2)c1 ZINC000085477183 170103706 /nfs/dbraw/zinc/10/37/06/170103706.db2.gz CIJUFFOLJGFOQP-UHFFFAOYSA-N 0 0 240.306 2.686 50 0 BFAARN CCNC(=O)c1cccc(C[C@@H]2CCCCO2)c1 ZINC000091664177 170103864 /nfs/dbraw/zinc/10/38/64/170103864.db2.gz HTPJNMFCRLKLIV-AWEZNQCLSA-N 0 0 247.338 2.548 50 0 BFAARN CCNC(=S)NC1CCCCCCC1 ZINC000013818586 170105420 /nfs/dbraw/zinc/10/54/20/170105420.db2.gz XHAFKYMAKNYJLP-UHFFFAOYSA-N 0 0 214.378 2.583 50 0 BFAARN CCNC(=S)Nc1ccc(C)c(C)c1 ZINC000000315404 170106701 /nfs/dbraw/zinc/10/67/01/170106701.db2.gz HVFFCAJQMQNRGK-UHFFFAOYSA-N 0 0 208.330 2.610 50 0 BFAARN CCNc1cc(C)c(Br)cn1 ZINC000042783836 170172483 /nfs/dbraw/zinc/17/24/83/170172483.db2.gz CTGSOUMQRZODES-UHFFFAOYSA-N 0 0 215.094 2.584 50 0 BFAARN CCOC(=N)c1ccc(Br)cc1 ZINC000037928020 170180053 /nfs/dbraw/zinc/18/00/53/170180053.db2.gz SKFQJMAGPTUFEW-UHFFFAOYSA-N 0 0 228.089 2.811 50 0 BFAARN CCOC(=O)C(=O)Nc1ccccc1[C@H](C)CC ZINC000002747914 170184167 /nfs/dbraw/zinc/18/41/67/170184167.db2.gz QQLAHVIBAXZEFX-SNVBAGLBSA-N 0 0 249.310 2.702 50 0 BFAARN CCOC(=O)C(C)(C)Oc1ccc(F)cc1F ZINC000001459482 170188456 /nfs/dbraw/zinc/18/84/56/170188456.db2.gz HCIFXNOUHSLLJI-UHFFFAOYSA-N 0 0 244.237 2.685 50 0 BFAARN CCOC(=O)C(F)(F)c1ccc(Cl)cc1 ZINC000031829536 170188926 /nfs/dbraw/zinc/18/89/26/170188926.db2.gz VGULHXRXMXNYHN-UHFFFAOYSA-N 0 0 234.629 2.995 50 0 BFAARN CCOC(=O)c1[nH]c(C)c(C(C)(C)C)c1C ZINC000031829367 170192078 /nfs/dbraw/zinc/19/20/78/170192078.db2.gz AOYNSXFLMSAALP-MRVPVSSYSA-N 0 0 223.316 2.960 50 0 BFAARN CCOC(=O)c1[nH]c(C)c(C(C)(C)C)c1C ZINC000031829366 170192406 /nfs/dbraw/zinc/19/24/06/170192406.db2.gz AOYNSXFLMSAALP-QMMMGPOBSA-N 0 0 223.316 2.960 50 0 BFAARN CCOC(=O)CCCCC(=O)c1ccccc1 ZINC000002165423 170198742 /nfs/dbraw/zinc/19/87/42/170198742.db2.gz ODRIXXZKVYCRTE-UHFFFAOYSA-N 0 0 234.295 2.993 50 0 BFAARN CCOC(=O)CCC(=O)c1cccc(Cl)c1 ZINC000002378909 170198818 /nfs/dbraw/zinc/19/88/18/170198818.db2.gz KPAPWOAZDOMSPX-UHFFFAOYSA-N 0 0 240.686 2.866 50 0 BFAARN CCOC(=O)CCC(=O)c1cc(C)cc(C)c1 ZINC000002378890 170198821 /nfs/dbraw/zinc/19/88/21/170198821.db2.gz YRMNAZDTNBMZSG-UHFFFAOYSA-N 0 0 234.295 2.829 50 0 BFAARN CCOC(=O)CCC(=O)c1ccc(CC)cc1 ZINC000002580353 170198990 /nfs/dbraw/zinc/19/89/90/170198990.db2.gz FBWFWFSIBIKQJN-UHFFFAOYSA-N 0 0 234.295 2.775 50 0 BFAARN CCOC(=O)CCc1ccccc1Cl ZINC000034497550 170212396 /nfs/dbraw/zinc/21/23/96/170212396.db2.gz PRDDIJZMYPKFOA-UHFFFAOYSA-N 0 0 212.676 2.836 50 0 BFAARN CCOC(=O)COc1cccc2ccccc21 ZINC000001396261 170229497 /nfs/dbraw/zinc/22/94/97/170229497.db2.gz HFLLBKYQSRBNPN-UHFFFAOYSA-N 0 0 230.263 2.782 50 0 BFAARN CCOC(=O)Cc1ccc(Br)cc1 ZINC000002565978 170235364 /nfs/dbraw/zinc/23/53/64/170235364.db2.gz ZFDCWHPNBWPPHG-UHFFFAOYSA-N 0 0 243.100 2.555 50 0 BFAARN CCOC(=O)NC(C)(C)CC(C)(C)C ZINC000001690302 170240491 /nfs/dbraw/zinc/24/04/91/170240491.db2.gz LKLZMSSRMNNNBH-UHFFFAOYSA-N 0 0 201.310 2.947 50 0 BFAARN CCOC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000003896876 170240650 /nfs/dbraw/zinc/24/06/50/170240650.db2.gz UUZRKUNSLBUDSM-UHFFFAOYSA-N 0 0 223.316 2.701 50 0 BFAARN CCOC(=O)N1c2ccccc2C[C@@H]1C ZINC000001053339 170241076 /nfs/dbraw/zinc/24/10/76/170241076.db2.gz JBZMYSYCWRTAJK-VIFPVBQESA-N 0 0 205.257 2.594 50 0 BFAARN CCOC(=O)[C@@H](NCC(C)C)c1ccccc1 ZINC000037853300 170255458 /nfs/dbraw/zinc/25/54/58/170255458.db2.gz PEJYAMCCFVSGGU-ZDUSSCGKSA-N 0 0 235.327 2.536 50 0 BFAARN CCOC(=O)C1=C(O)CCCCCCCC1 ZINC000039250364 170257476 /nfs/dbraw/zinc/25/74/76/170257476.db2.gz VBWUFKFOEMFRHF-LLVKDONJSA-N 0 0 226.316 2.869 50 0 BFAARN CCOC(=O)[C@@]1(Cc2ccccc2)CCCC1=O ZINC000001686510 170263153 /nfs/dbraw/zinc/26/31/53/170263153.db2.gz IKDYNDOAHRZGKH-OAHLLOKOSA-N 0 0 246.306 2.532 50 0 BFAARN CCOC(=O)C1=C(O)CCCCCCCC1 ZINC000039250365 170278735 /nfs/dbraw/zinc/27/87/35/170278735.db2.gz VBWUFKFOEMFRHF-NSHDSACASA-N 0 0 226.316 2.869 50 0 BFAARN CCOC(=O)[C@H]1CC=CC[C@H]1c1cccnc1 ZINC000002570250 170278849 /nfs/dbraw/zinc/27/88/49/170278849.db2.gz ATAHZGDGVWUBCW-STQMWFEESA-N 0 0 231.295 2.695 50 0 BFAARN CCOC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000000187636 170286885 /nfs/dbraw/zinc/28/68/85/170286885.db2.gz SOBSEOUZZDHRIZ-UHFFFAOYSA-N 0 0 217.268 2.961 50 0 BFAARN CCOC(=O)c1c(C)occ1C(F)(F)F ZINC000095627307 170287746 /nfs/dbraw/zinc/28/77/46/170287746.db2.gz RQRLSFQHDQTZEF-UHFFFAOYSA-N 0 0 222.162 2.784 50 0 BFAARN CCOC(=O)c1c(C)n(C2CC2)c(C)c1C(C)=O ZINC000000161945 170287792 /nfs/dbraw/zinc/28/77/92/170287792.db2.gz KUMRNXGGFLRUIV-UHFFFAOYSA-N 0 0 249.310 2.819 50 0 BFAARN CCOC(=O)c1c(C)n(C)c2ccccc21 ZINC000000142383 170288296 /nfs/dbraw/zinc/28/82/96/170288296.db2.gz RQRUAENQOVZHNW-UHFFFAOYSA-N 0 0 217.268 2.663 50 0 BFAARN CCOC(=O)c1c(C)n(C)c2ccc(OC)cc21 ZINC000000050482 170288365 /nfs/dbraw/zinc/28/83/65/170288365.db2.gz VWUZPMIHHYWEQB-UHFFFAOYSA-N 0 0 247.294 2.672 50 0 BFAARN CCOC(=O)c1c(N)sc2c1CC[C@@H](C)C2 ZINC000000080932 170289438 /nfs/dbraw/zinc/28/94/38/170289438.db2.gz WSOISFMHBFFWRQ-SSDOTTSWSA-N 0 0 239.340 2.632 50 0 BFAARN CCOC(=O)c1cc(-c2ccc(C)cc2)nn1C ZINC000002520657 170290223 /nfs/dbraw/zinc/29/02/23/170290223.db2.gz ZOHDJFVDVYZDIK-UHFFFAOYSA-N 0 0 244.294 2.572 50 0 BFAARN CCOC(=O)c1cc(Br)cs1 ZINC000034521848 170290502 /nfs/dbraw/zinc/29/05/02/170290502.db2.gz SLNFTOHTVYSKLD-UHFFFAOYSA-N 0 0 235.102 2.687 50 0 BFAARN CCOC(=O)c1cc(Cl)nc(Cl)c1C ZINC000000383894 170292376 /nfs/dbraw/zinc/29/23/76/170292376.db2.gz MQWSYHGBLOKYSU-UHFFFAOYSA-N 0 0 234.082 2.874 50 0 BFAARN CCOC(=O)c1cc2cc(C)cc(C)c2[nH]1 ZINC000000114590 170293627 /nfs/dbraw/zinc/29/36/27/170293627.db2.gz SXEYVWBHOFEEOQ-UHFFFAOYSA-N 0 0 217.268 2.961 50 0 BFAARN CCOC(=O)c1ccc(-c2ccc(C=O)o2)cc1 ZINC000000035746 170294530 /nfs/dbraw/zinc/29/45/30/170294530.db2.gz UWLKFGFYBKJASW-UHFFFAOYSA-N 0 0 244.246 2.936 50 0 BFAARN CCOC(=O)c1ccc(-c2ccc(C)cn2)o1 ZINC000045028403 170294853 /nfs/dbraw/zinc/29/48/53/170294853.db2.gz LCMFTYRHWMDDON-UHFFFAOYSA-N 0 0 231.251 2.827 50 0 BFAARN CCOC(=O)c1ccc(NC(=O)CC)c(C)c1 ZINC000071375546 170296522 /nfs/dbraw/zinc/29/65/22/170296522.db2.gz VZCRGQGMGNAAOM-UHFFFAOYSA-N 0 0 235.283 2.520 50 0 BFAARN CCOC(=O)c1ccc2c(c1)nc(C)n2CC ZINC000000061042 170297952 /nfs/dbraw/zinc/29/79/52/170297952.db2.gz WFXZBJGTELYJQB-UHFFFAOYSA-N 0 0 232.283 2.541 50 0 BFAARN CCOC(=O)c1cnc2ccc(C)cc2c1 ZINC000045921513 170302136 /nfs/dbraw/zinc/30/21/36/170302136.db2.gz CUUHXGARWNZEHX-UHFFFAOYSA-N 0 0 215.252 2.720 50 0 BFAARN CCOC(=O)c1cnn(CC)c1-c1ccccc1 ZINC000075896632 170303777 /nfs/dbraw/zinc/30/37/77/170303777.db2.gz KALWQRARYOKRFI-UHFFFAOYSA-N 0 0 244.294 2.747 50 0 BFAARN CCOC(=O)c1n[nH]c2c1CCC2=C1CCCC1 ZINC000071864286 170305739 /nfs/dbraw/zinc/30/57/39/170305739.db2.gz TVKCNGYEOJFSAE-UHFFFAOYSA-N 0 0 246.310 2.860 50 0 BFAARN CCOC(=O)c1nc2ccsc2c(Cl)n1 ZINC000072187488 170306777 /nfs/dbraw/zinc/30/67/77/170306777.db2.gz YBFVHUWXKQPWSX-UHFFFAOYSA-N 0 0 242.687 2.521 50 0 BFAARN CCOC(=O)c1nnc(-c2ccc(C)cc2)s1 ZINC000259591403 170309027 /nfs/dbraw/zinc/30/90/27/170309027.db2.gz LJNBKTGXAUUZMH-UHFFFAOYSA-N 0 0 248.307 2.690 50 0 BFAARN CCOC(=O)c1oc2ccc(Cl)cc2c1N ZINC000000062342 170310111 /nfs/dbraw/zinc/31/01/11/170310111.db2.gz VKKDUUXDTANQAJ-UHFFFAOYSA-N 0 0 239.658 2.845 50 0 BFAARN CCOC(=O)c1oc2ccc(OC)cc2c1C ZINC000003165874 170310200 /nfs/dbraw/zinc/31/02/00/170310200.db2.gz DAETWRKPSJXAJB-UHFFFAOYSA-N 0 0 234.251 2.927 50 0 BFAARN CCOC(=O)c1sc(-c2ccccc2)nc1O ZINC000000120537 170310341 /nfs/dbraw/zinc/31/03/41/170310341.db2.gz QKRYFBKKMLYRHO-UHFFFAOYSA-N 0 0 249.291 2.692 50 0 BFAARN CCOC(Cc1cccc(F)c1)OCC ZINC000040542173 170315798 /nfs/dbraw/zinc/31/57/98/170315798.db2.gz ZUQALQRCLQLGOY-UHFFFAOYSA-N 0 0 212.264 2.767 50 0 BFAARN CCOC(C[C@H](OCC)OCC(C)C)OCC ZINC000004831685 170316425 /nfs/dbraw/zinc/31/64/25/170316425.db2.gz AVWVCFBADLJOIX-CYBMUJFWSA-N 0 0 248.363 2.811 50 0 BFAARN CCOCC1(CNc2ncnc(C)c2C)CCC1 ZINC000092045715 170357053 /nfs/dbraw/zinc/35/70/53/170357053.db2.gz IYTPKXQJMVBVHA-UHFFFAOYSA-N 0 0 249.358 2.712 50 0 BFAARN CCOCCC(=O)N[C@H](C)CCc1ccccc1 ZINC000004825867 170362341 /nfs/dbraw/zinc/36/23/41/170362341.db2.gz AVJVQWHCGZFJLP-CYBMUJFWSA-N 0 0 249.354 2.551 50 0 BFAARN CCOCCC(=O)Nc1cc(C)cc(C)c1 ZINC000004806036 170362824 /nfs/dbraw/zinc/36/28/24/170362824.db2.gz BNQJWVZIWNBQLD-UHFFFAOYSA-N 0 0 221.300 2.669 50 0 BFAARN CCOC[C@@H](C)Nc1ccc(-n2cccn2)cc1 ZINC000095990580 170432923 /nfs/dbraw/zinc/43/29/23/170432923.db2.gz JBGRRYCDXFMPOL-GFCCVEGCSA-N 0 0 245.326 2.709 50 0 BFAARN CCONC(=O)c1cc2ccccc2s1 ZINC000024982554 170467841 /nfs/dbraw/zinc/46/78/41/170467841.db2.gz VQXHHCONGVEQIE-UHFFFAOYSA-N 0 0 221.281 2.583 50 0 BFAARN CCONC(=O)c1ccc(-c2ccccc2F)o1 ZINC000032848327 170468314 /nfs/dbraw/zinc/46/83/14/170468314.db2.gz QKDUAGMAJXDDGW-UHFFFAOYSA-N 0 0 249.241 2.767 50 0 BFAARN CCOP(=O)(OCC)[C@H](O)c1ccccc1 ZINC000001675913 170470826 /nfs/dbraw/zinc/47/08/26/170470826.db2.gz SLNMJVMGIXUXFI-NSHDSACASA-N 0 0 244.227 2.944 50 0 BFAARN CCOc1ccc(-c2cncnc2)cc1 ZINC000067982349 170532193 /nfs/dbraw/zinc/53/21/93/170532193.db2.gz UVXTUPWOZYEGDX-UHFFFAOYSA-N 0 0 200.241 2.542 50 0 BFAARN CCOc1ccc(NC(=O)c2cc(C)no2)cc1 ZINC000006788975 170551864 /nfs/dbraw/zinc/55/18/64/170551864.db2.gz VTYJBSIVNDCSDT-UHFFFAOYSA-N 0 0 246.266 2.634 50 0 BFAARN CCOc1ccc2c(C)cc(=O)oc2c1C(C)=O ZINC000000485466 170567241 /nfs/dbraw/zinc/56/72/41/170567241.db2.gz MBUODFNPQUYYPP-UHFFFAOYSA-N 0 0 246.262 2.703 50 0 biogenic BFAARN CCOc1ccccc1NC(=O)c1cc(C)on1 ZINC000003334485 170594769 /nfs/dbraw/zinc/59/47/69/170594769.db2.gz ZDUWEURHJVXVQB-UHFFFAOYSA-N 0 0 246.266 2.634 50 0 BFAARN CCOc1ccccc1NC(=O)c1ccc[nH]1 ZINC000071846814 170594942 /nfs/dbraw/zinc/59/49/42/170594942.db2.gz MICUOVZPCMRHNS-UHFFFAOYSA-N 0 0 230.267 2.666 50 0 BFAARN CCOc1ccccc1OC(=O)c1ccco1 ZINC000000149033 170596404 /nfs/dbraw/zinc/59/64/04/170596404.db2.gz JYXOKRBMXAXZGP-UHFFFAOYSA-N 0 0 232.235 2.898 50 0 BFAARN CCOc1ncc(Br)cc1Cl ZINC000091366372 170603917 /nfs/dbraw/zinc/60/39/17/170603917.db2.gz HOIWCAIWRYBPSO-UHFFFAOYSA-N 0 0 236.496 2.896 50 0 BFAARN CCOc1ncccc1NC(=O)c1cccs1 ZINC000027587188 170605489 /nfs/dbraw/zinc/60/54/89/170605489.db2.gz JEKCBCPATBQZLF-UHFFFAOYSA-N 0 0 248.307 2.794 50 0 BFAARN CCSC(SCC)c1ccnc(N)n1 ZINC000002508388 170625194 /nfs/dbraw/zinc/62/51/94/170625194.db2.gz CHJNNYABPDBDFI-UHFFFAOYSA-N 0 0 229.374 2.564 50 0 BFAARN CCSCC(=O)Nc1ccccc1F ZINC000001910728 170625997 /nfs/dbraw/zinc/62/59/97/170625997.db2.gz MJGVPBDOCLGLRJ-UHFFFAOYSA-N 0 0 213.277 2.517 50 0 BFAARN CCSc1ccc(NC(=O)NC(C)C)cn1 ZINC000058438985 170655675 /nfs/dbraw/zinc/65/56/75/170655675.db2.gz NEZQJCBEXOQACR-UHFFFAOYSA-N 0 0 239.344 2.724 50 0 BFAARN CCSc1nnc(C2CC2)n1C1CC1 ZINC000041351394 170658007 /nfs/dbraw/zinc/65/80/07/170658007.db2.gz QCCWKSUQMUAAFF-UHFFFAOYSA-N 0 0 209.318 2.602 50 0 BFAARN CC[C@@H](C)C(=O)N(c1ccccc1)[C@H]1CCOC1 ZINC000192079480 170677719 /nfs/dbraw/zinc/67/77/19/170677719.db2.gz LUNLGNSYNGEFEE-OCCSQVGLSA-N 0 0 247.338 2.855 50 0 BFAARN CC[C@@H](C)NC(=O)NCc1ccc(Cl)cc1 ZINC000013746303 170742894 /nfs/dbraw/zinc/74/28/94/170742894.db2.gz GKBJVSYEGVKPCO-SECBINFHSA-N 0 0 240.734 2.938 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000013746315 170743809 /nfs/dbraw/zinc/74/38/09/170743809.db2.gz OIHVHMDWOSHIFV-SECBINFHSA-N 0 0 249.314 2.565 50 0 BFAARN CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000014397479 170745356 /nfs/dbraw/zinc/74/53/56/170745356.db2.gz UPBPRMPBCDHILN-NXEZZACHSA-N 0 0 239.290 2.508 50 0 BFAARN CC[C@@H](C)NC(=O)c1ccc2c(ccn2C)c1 ZINC000064551698 170748581 /nfs/dbraw/zinc/74/85/81/170748581.db2.gz NQYSUDGFENGFSK-SNVBAGLBSA-N 0 0 230.311 2.707 50 0 BFAARN CC[C@@H](C)Oc1ccc(C=O)cc1OC ZINC000005655300 170766117 /nfs/dbraw/zinc/76/61/17/170766117.db2.gz HLWKDCMKTGMQNT-SECBINFHSA-N 0 0 208.257 2.685 50 0 BFAARN CC[C@@H](C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000000394447 170786416 /nfs/dbraw/zinc/78/64/16/170786416.db2.gz NLMQKWIDHNGIQC-YPMHNXCESA-N 0 0 219.328 2.905 50 0 BFAARN CC[C@@H](NC(=O)c1ccc[nH]1)c1cccs1 ZINC000071759159 170885318 /nfs/dbraw/zinc/88/53/18/170885318.db2.gz WAQZPOFPSHCWJE-SECBINFHSA-N 0 0 234.324 2.957 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)NC1CCCC1 ZINC000013328222 170961438 /nfs/dbraw/zinc/96/14/38/170961438.db2.gz BMTKXFWVCPMIIU-GFCCVEGCSA-N 0 0 224.348 2.903 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)c1cccc(C)n1 ZINC000032909041 170962901 /nfs/dbraw/zinc/96/29/01/170962901.db2.gz KWIFMOGKEQAIAT-GFCCVEGCSA-N 0 0 232.327 2.795 50 0 BFAARN CC[C@@]1(C)Cc2ccccc2-c2nc[nH]c(=O)c21 ZINC000017057368 171208515 /nfs/dbraw/zinc/20/85/15/171208515.db2.gz UTJRGNCYPLAFDJ-HNNXBMFYSA-N 0 0 240.306 2.661 50 0 BFAARN CC[C@H](C(=O)Nc1ccon1)c1ccccc1 ZINC000001055644 171235111 /nfs/dbraw/zinc/23/51/11/171235111.db2.gz SZRQFFYFLMVKTJ-NSHDSACASA-N 0 0 230.267 2.807 50 0 BFAARN CC[C@H](C(C)=O)C(=O)Nc1ccccc1C ZINC000000141583 171242179 /nfs/dbraw/zinc/24/21/79/171242179.db2.gz XKFOZGNKUAYESR-LLVKDONJSA-N 0 0 219.284 2.549 50 0 BFAARN CC[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000032895558 171254622 /nfs/dbraw/zinc/25/46/22/171254622.db2.gz LUDDLWSNQHGSRM-ZETCQYMHSA-N 0 0 213.227 2.949 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000005665474 171255400 /nfs/dbraw/zinc/25/54/00/171255400.db2.gz SSIOGBOBGCTNPI-ZETCQYMHSA-N 0 0 213.227 2.949 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccccc1OC ZINC000000365439 171255601 /nfs/dbraw/zinc/25/56/01/171255601.db2.gz NTSGYPDPZDEYJM-VIFPVBQESA-N 0 0 207.273 2.680 50 0 BFAARN CC[C@H](C)Cn1c2ccccc2nc1CO ZINC000000352651 171301376 /nfs/dbraw/zinc/30/13/76/171301376.db2.gz MXFLVMFCQOGHHM-JTQLQIEISA-N 0 0 218.300 2.575 50 0 BFAARN CC[C@H](C)NC(=O)CCc1ccccc1F ZINC000047220083 171323128 /nfs/dbraw/zinc/32/31/28/171323128.db2.gz FHZPQMKISWKPIG-JTQLQIEISA-N 0 0 223.291 2.673 50 0 BFAARN CC[C@H](C)NC(=O)COc1ccccc1Cl ZINC000005719104 171326985 /nfs/dbraw/zinc/32/69/85/171326985.db2.gz VGDNQSHCVNJTPW-VIFPVBQESA-N 0 0 241.718 2.634 50 0 BFAARN CC[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000013745674 171330529 /nfs/dbraw/zinc/33/05/29/171330529.db2.gz NZTAKZCQLDQXAZ-DCAQKATOSA-N 0 0 212.337 2.663 50 0 BFAARN CC[C@H](C)NC(=O)Nc1cccc(F)c1 ZINC000006700039 171331055 /nfs/dbraw/zinc/33/10/55/171331055.db2.gz YBPXZYQJDTZCLD-QMMMGPOBSA-N 0 0 210.252 2.746 50 0 BFAARN CC[C@H](C)NC(=O)c1cc(Cl)ccc1OC ZINC000000382613 171336226 /nfs/dbraw/zinc/33/62/26/171336226.db2.gz JUNFLUSDGGHRMM-QMMMGPOBSA-N 0 0 241.718 2.877 50 0 BFAARN CC[C@H](C)NC(=O)c1cccc2cccnc21 ZINC000032518231 171337345 /nfs/dbraw/zinc/33/73/45/171337345.db2.gz MNHXVFUIWVPGDB-JTQLQIEISA-N 0 0 228.295 2.763 50 0 BFAARN CC[C@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC000005468591 171337637 /nfs/dbraw/zinc/33/76/37/171337637.db2.gz JDKBCQVNEDPWEJ-NSHDSACASA-N 0 0 205.301 2.832 50 0 BFAARN CC[C@H](C)NC(=O)c1cn(C)c2ccccc12 ZINC000012545120 171338588 /nfs/dbraw/zinc/33/85/88/171338588.db2.gz KWKJHZWFYPVFNI-JTQLQIEISA-N 0 0 230.311 2.707 50 0 BFAARN CC[C@H](C)Oc1c(C=O)cccc1OC ZINC000005656390 171355957 /nfs/dbraw/zinc/35/59/57/171355957.db2.gz FHALBHJLYWQNFN-VIFPVBQESA-N 0 0 208.257 2.685 50 0 BFAARN CC[C@H](C)Oc1ccc(NC(C)=O)cc1 ZINC000010470257 171356410 /nfs/dbraw/zinc/35/64/10/171356410.db2.gz ZCQCUCIDQQCYIT-VIFPVBQESA-N 0 0 207.273 2.822 50 0 BFAARN CC[C@H](C)[C@@H](C)NC(=O)c1cc(C2CC2)on1 ZINC000084721582 171364037 /nfs/dbraw/zinc/36/40/37/171364037.db2.gz LRXYMLGLSWNQKI-DTWKUNHWSA-N 0 0 236.315 2.716 50 0 BFAARN CC[C@H](C)[C@H](CO)Nc1ccc(Cl)cn1 ZINC000095963230 171393603 /nfs/dbraw/zinc/39/36/03/171393603.db2.gz TYBNVUAADAAULD-WPRPVWTQSA-N 0 0 228.723 2.554 50 0 BFAARN CC[C@H]1CCCC[C@@H]1Nc1ncnc2oncc21 ZINC000225503362 171610226 /nfs/dbraw/zinc/61/02/26/171610226.db2.gz NZMDERKPXAEKSR-ONGXEEELSA-N 0 0 246.314 2.999 50 0 BFAARN CCc1cc(C(=O)Nc2cc(C)ccc2O)no1 ZINC000020191960 171756073 /nfs/dbraw/zinc/75/60/73/171756073.db2.gz JVUKICJXYKJTQD-UHFFFAOYSA-N 0 0 246.266 2.503 50 0 BFAARN CCc1cc(C=O)ccc1OCC1CC1 ZINC000042784115 171757584 /nfs/dbraw/zinc/75/75/84/171757584.db2.gz FZEKMQLSZVRVMC-UHFFFAOYSA-N 0 0 204.269 2.850 50 0 BFAARN CCc1ccc(C(=O)NCc2ccco2)cc1 ZINC000002872651 171785585 /nfs/dbraw/zinc/78/55/85/171785585.db2.gz XWEJMKFLDYBVAW-UHFFFAOYSA-N 0 0 229.279 2.772 50 0 BFAARN CCc1ccc(CC(=O)N[C@@H](C)CC)cc1 ZINC000071384618 171789916 /nfs/dbraw/zinc/78/99/16/171789916.db2.gz JJVUQCWNXYMDQE-NSHDSACASA-N 0 0 219.328 2.706 50 0 BFAARN CCc1ccc2nc(C)cc(C(=O)N(C)C)c2c1 ZINC000064553295 171850431 /nfs/dbraw/zinc/85/04/31/171850431.db2.gz QYCGVHWTDXSELT-UHFFFAOYSA-N 0 0 242.322 2.807 50 0 BFAARN CCc1cccc(C)c1NC(=O)[C@H]1CCCO1 ZINC000000461225 171854089 /nfs/dbraw/zinc/85/40/89/171854089.db2.gz AZFPXVSFRVFLHX-GFCCVEGCSA-N 0 0 233.311 2.675 50 0 BFAARN CCc1nc(-c2ccncc2)sc1C(=O)OC ZINC000095431569 171941046 /nfs/dbraw/zinc/94/10/46/171941046.db2.gz LIOYAZSBDQGIMX-UHFFFAOYSA-N 0 0 248.307 2.554 50 0 BFAARN CCc1nc(C)cc(NCC2(COC)CCC2)n1 ZINC000286398021 171961158 /nfs/dbraw/zinc/96/11/58/171961158.db2.gz JQLNWNNBOQJRGH-UHFFFAOYSA-N 0 0 249.358 2.576 50 0 BFAARN CCc1nc([C@H](C)NC(=O)C(C)C)cs1 ZINC000083830245 172004998 /nfs/dbraw/zinc/00/49/98/172004998.db2.gz XJMKLRHPPSSFAS-QMMMGPOBSA-N 0 0 226.345 2.539 50 0 BFAARN CCc1nnc(CN(C)CC2CCCCC2)o1 ZINC000044000196 172049102 /nfs/dbraw/zinc/04/91/02/172049102.db2.gz GDESSLQWSPMYJT-UHFFFAOYSA-N 0 0 237.347 2.644 50 0 BFAARN CCc1nnc(NCc2ccccc2)s1 ZINC000075824792 172060356 /nfs/dbraw/zinc/06/03/56/172060356.db2.gz ROMQZNNDJQEFHT-UHFFFAOYSA-N 0 0 219.313 2.713 50 0 BFAARN CCc1noc(COc2ccc(Cl)cc2)n1 ZINC000069460441 172084932 /nfs/dbraw/zinc/08/49/32/172084932.db2.gz WXHYOWFZGFPFGC-UHFFFAOYSA-N 0 0 238.674 2.864 50 0 BFAARN CCc1noc(CSc2cccs2)n1 ZINC000069975537 172085260 /nfs/dbraw/zinc/08/52/60/172085260.db2.gz DLRSZFZHRQGEKQ-UHFFFAOYSA-N 0 0 226.326 2.986 50 0 BFAARN CCc1noc([C@@H](C)N[C@H](C)c2ccc(C)o2)n1 ZINC000097374011 172089488 /nfs/dbraw/zinc/08/94/88/172089488.db2.gz JAAUNIKRWSKLFV-NXEZZACHSA-N 0 0 249.314 2.945 50 0 BFAARN CCc1nsc(N2CCc3ccccc3C2)n1 ZINC000080761322 172104061 /nfs/dbraw/zinc/10/40/61/172104061.db2.gz XLXHKBCJIXGKJN-UHFFFAOYSA-N 0 0 245.351 2.663 50 0 BFAARN CCn1c(=S)[nH]nc1-c1ccc(N(C)C)cc1 ZINC000006419133 172130406 /nfs/dbraw/zinc/13/04/06/172130406.db2.gz VYKNSOMKGROGHF-UHFFFAOYSA-N 0 0 248.355 2.694 50 0 BFAARN CCn1c(=S)[nH]nc1-c1csc(C)c1 ZINC000005686872 172130927 /nfs/dbraw/zinc/13/09/27/172130927.db2.gz YPRAIHQGMMEDAG-UHFFFAOYSA-N 0 0 225.342 2.998 50 0 BFAARN CCn1c2ccc(C)cc2c2nnc(=S)[nH]c21 ZINC000005686880 172148990 /nfs/dbraw/zinc/14/89/90/172148990.db2.gz DAKIBQUGTDRBTN-UHFFFAOYSA-N 0 0 244.323 2.970 50 0 BFAARN CCn1c2ccccc2c2cc(C(N)=O)ccc21 ZINC000004998460 172149473 /nfs/dbraw/zinc/14/94/73/172149473.db2.gz IZHHCAXJAHTWQG-UHFFFAOYSA-N 0 0 238.290 2.913 50 0 BFAARN CCn1cc(C(=O)Nc2cc(F)ccc2C)cn1 ZINC000028225357 172157319 /nfs/dbraw/zinc/15/73/19/172157319.db2.gz IVQRHKLVQCFBAV-UHFFFAOYSA-N 0 0 247.273 2.603 50 0 BFAARN CCn1cc(NC(=O)CCc2ccsc2)cn1 ZINC000027918549 172180252 /nfs/dbraw/zinc/18/02/52/172180252.db2.gz HEJCLALJLRVSER-UHFFFAOYSA-N 0 0 249.339 2.536 50 0 BFAARN CCn1cc(N[C@@H](C)c2nc(C(C)C)no2)cn1 ZINC000097139833 172187031 /nfs/dbraw/zinc/18/70/31/172187031.db2.gz AYHVYBDNIGUQIM-VIFPVBQESA-N 0 0 249.318 2.583 50 0 BFAARN CCn1cnc2ccc(Br)cc21 ZINC000039102529 172234008 /nfs/dbraw/zinc/23/40/08/172234008.db2.gz NGEBEBRIZCRBKT-UHFFFAOYSA-N 0 0 225.089 2.819 50 0 BFAARN CN(C(=O)c1cc(C2CC2)[nH]n1)c1ccccc1 ZINC000040062823 172336814 /nfs/dbraw/zinc/33/68/14/172336814.db2.gz FUCSXCPBUGLFQD-UHFFFAOYSA-N 0 0 241.294 2.564 50 0 BFAARN CN(C(=O)c1cc(C2CC2)on1)c1ccccc1 ZINC000013363693 172337331 /nfs/dbraw/zinc/33/73/31/172337331.db2.gz GFNKYQBOUGORFC-UHFFFAOYSA-N 0 0 242.278 2.829 50 0 BFAARN CN(C(=O)c1ccccc1N)C1CCCCC1 ZINC000000377017 172342921 /nfs/dbraw/zinc/34/29/21/172342921.db2.gz HRHAAZQULBGFAE-UHFFFAOYSA-N 0 0 232.327 2.674 50 0 BFAARN CN(C(=O)c1ccoc1)c1nc2ccccc2o1 ZINC000012903053 172345092 /nfs/dbraw/zinc/34/50/92/172345092.db2.gz KTPZVPQXPAVKFF-UHFFFAOYSA-N 0 0 242.234 2.697 50 0 BFAARN CN(C)C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000006304818 172354370 /nfs/dbraw/zinc/35/43/70/172354370.db2.gz KMCALAGDRRVMSU-UHFFFAOYSA-N 0 0 241.718 2.586 50 0 BFAARN CN(C)C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000056488634 172354840 /nfs/dbraw/zinc/35/48/40/172354840.db2.gz DODPXSBOELHNDM-UHFFFAOYSA-N 0 0 225.719 2.706 50 0 BFAARN CN(CC1CCCC1)C(=O)[C@@H]1CC=CCC1 ZINC000126735756 172657989 /nfs/dbraw/zinc/65/79/89/172657989.db2.gz JMLXBFUNLVYNKL-CYBMUJFWSA-N 0 0 221.344 2.991 50 0 BFAARN CN(C[C@H](O)c1ccccc1)c1ccccc1 ZINC000000399632 172826032 /nfs/dbraw/zinc/82/60/32/172826032.db2.gz UTFKRKIKZZXSDC-HNNXBMFYSA-N 0 0 227.307 2.856 50 0 BFAARN CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000245250 172949405 /nfs/dbraw/zinc/94/94/05/172949405.db2.gz KRXAPUFKQQWAGK-UHFFFAOYSA-N 0 0 247.319 2.512 50 0 BFAARN CN1CCO[C@]12CCCC[C@@H]2Oc1ccccc1 ZINC000044125717 173111046 /nfs/dbraw/zinc/11/10/46/173111046.db2.gz IHEOZRCZMDIADV-GJZGRUSLSA-N 0 0 247.338 2.666 50 0 BFAARN CN1Cc2ccc3c4c(ccc(c24)C1)CN(C)C3 ZINC000004395712 173201436 /nfs/dbraw/zinc/20/14/36/173201436.db2.gz VHNSKBKZGHFGKH-UHFFFAOYSA-N 0 0 238.334 2.731 50 0 BFAARN CN1N=C(c2ccc(Cl)s2)CSC1=O ZINC000006995610 173203557 /nfs/dbraw/zinc/20/35/57/173203557.db2.gz NPXUZJQSBOFJHH-UHFFFAOYSA-N 0 0 246.744 2.904 50 0 BFAARN CN1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000003133119 173204936 /nfs/dbraw/zinc/20/49/36/173204936.db2.gz DAIVVDAWQFQQDF-IAQYHMDHSA-N 0 0 241.290 2.767 50 0 BFAARN CN1[C@H](CCc2ccccc2)OCC1(C)C ZINC000071773339 173205391 /nfs/dbraw/zinc/20/53/91/173205391.db2.gz BXXIIAIIGOXHSG-ZDUSSCGKSA-N 0 0 219.328 2.686 50 0 BFAARN CNC(=O)C(c1ccccc1)c1ccccc1 ZINC000000410013 173221035 /nfs/dbraw/zinc/22/10/35/173221035.db2.gz DIZKGJLRHOCMTP-UHFFFAOYSA-N 0 0 225.291 2.565 50 0 BFAARN CNC(=O)C1(c2cccc(Cl)c2)CCC1 ZINC000032906765 173223177 /nfs/dbraw/zinc/22/31/77/173223177.db2.gz ZTZXRSHMVUZHHA-UHFFFAOYSA-N 0 0 223.703 2.508 50 0 BFAARN CNC(=O)Nc1ccc(Br)cc1C ZINC000048474809 173292713 /nfs/dbraw/zinc/29/27/13/173292713.db2.gz UPBHIRLSUSWFKZ-UHFFFAOYSA-N 0 0 243.104 2.509 50 0 BFAARN CNC(=O)Nc1sc(-c2ccccc2)nc1C ZINC000097107754 173293423 /nfs/dbraw/zinc/29/34/23/173293423.db2.gz UDGUPKQMYNJJCX-UHFFFAOYSA-N 0 0 247.323 2.870 50 0 BFAARN CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000071895987 173308257 /nfs/dbraw/zinc/30/82/57/173308257.db2.gz QSSKDZHXZOHFBL-SFYZADRCSA-N 0 0 244.121 2.843 50 0 BFAARN CNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000000088790 173316716 /nfs/dbraw/zinc/31/67/16/173316716.db2.gz UUJBLHRGUQRUKM-UHFFFAOYSA-N 0 0 235.139 2.910 50 0 BFAARN CNc1ccc(F)cc1Br ZINC000020430873 173479486 /nfs/dbraw/zinc/47/94/86/173479486.db2.gz NRMQPVYJNLONGN-UHFFFAOYSA-N 0 0 204.042 2.630 50 0 BFAARN COC(=O)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000002386352 173496543 /nfs/dbraw/zinc/49/65/43/173496543.db2.gz YUEFITCWDISQAO-QPJJXVBHSA-N 0 0 230.185 2.892 50 0 BFAARN COC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000078833740 173507601 /nfs/dbraw/zinc/50/76/01/173507601.db2.gz CVIXMPKCWWZAMS-UHFFFAOYSA-N 0 0 212.676 2.791 50 0 BFAARN COC(=O)CCc1ccc(-c2cncs2)cc1 ZINC000044857370 173568472 /nfs/dbraw/zinc/56/84/72/173568472.db2.gz SXMWIUBUDRULSR-UHFFFAOYSA-N 0 0 247.319 2.916 50 0 BFAARN COC(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000006699207 173661338 /nfs/dbraw/zinc/66/13/38/173661338.db2.gz ICOKXSITCOTQLM-JTQLQIEISA-N 0 0 207.273 2.720 50 0 BFAARN COC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000002562317 173756160 /nfs/dbraw/zinc/75/61/60/173756160.db2.gz SPTZOODMHSABLY-OAHLLOKOSA-N 0 0 248.322 2.628 50 0 in-vitro BFAARN COC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000001481066 173854157 /nfs/dbraw/zinc/85/41/57/173854157.db2.gz KROTZIHEEUZTRW-UHFFFAOYSA-N 0 0 227.263 2.899 50 0 BFAARN COC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000089404373 173861947 /nfs/dbraw/zinc/86/19/47/173861947.db2.gz QRUFTSJJPARBPF-UHFFFAOYSA-N 0 0 229.235 2.661 50 0 BFAARN COC(=O)c1ccc(Cl)nc1C(F)(F)F ZINC000238389907 173880697 /nfs/dbraw/zinc/88/06/97/173880697.db2.gz FBQPIQQTNZRGPI-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN COC(=O)c1ccc(OCC(C)C)cc1F ZINC000074937859 173887423 /nfs/dbraw/zinc/88/74/23/173887423.db2.gz HODLKMZTROFZEW-UHFFFAOYSA-N 0 0 226.247 2.647 50 0 BFAARN COC(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000000153903 173906589 /nfs/dbraw/zinc/90/65/89/173906589.db2.gz CFJDLJIDLYBQQY-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN COC1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000053898074 174026626 /nfs/dbraw/zinc/02/66/26/174026626.db2.gz BDLGFYUETBEGAA-UHFFFAOYSA-N 0 0 248.326 2.638 50 0 BFAARN COC1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000048466193 174026958 /nfs/dbraw/zinc/02/69/58/174026958.db2.gz FPYSOHZWUYLOOP-UHFFFAOYSA-N 0 0 248.326 2.638 50 0 BFAARN COCC(=O)N(C)[C@@H](c1ccccc1C)C(C)C ZINC000071900072 174039119 /nfs/dbraw/zinc/03/91/19/174039119.db2.gz BREMVUDAXSXARA-OAHLLOKOSA-N 0 0 249.354 2.797 50 0 BFAARN COCC(=O)c1cccc(C(F)(F)F)c1 ZINC000055199989 174062493 /nfs/dbraw/zinc/06/24/93/174062493.db2.gz BCTBZMLZCLEMAA-UHFFFAOYSA-N 0 0 218.174 2.535 50 0 BFAARN COCCC(C)(C)NC(=O)[C@H](C)c1ccccc1 ZINC000338865874 174147159 /nfs/dbraw/zinc/14/71/59/174147159.db2.gz PIAHBPOOTCWMQG-GFCCVEGCSA-N 0 0 249.354 2.721 50 0 BFAARN COCCCOc1ccc([C@H]2CCOC2)cc1 ZINC000225627801 174257063 /nfs/dbraw/zinc/25/70/63/174257063.db2.gz YMXZUIWKGWIVCC-ZDUSSCGKSA-N 0 0 236.311 2.606 50 0 BFAARN COCCCn1ccnc1-c1cccs1 ZINC000097115037 174266533 /nfs/dbraw/zinc/26/65/33/174266533.db2.gz OTSQHRCZECJUHB-UHFFFAOYSA-N 0 0 222.313 2.648 50 0 BFAARN COCCNC(=O)Nc1cccc(C(C)C)c1 ZINC000043551786 174325599 /nfs/dbraw/zinc/32/55/99/174325599.db2.gz QWOWXFPDXKEDTH-UHFFFAOYSA-N 0 0 236.315 2.578 50 0 BFAARN COCCNC(=O)Nc1cccc2ccccc21 ZINC000001722333 174326145 /nfs/dbraw/zinc/32/61/45/174326145.db2.gz VPRVZGBEURQCEE-UHFFFAOYSA-N 0 0 244.294 2.608 50 0 BFAARN COCCSc1ccc2c(c1)OCCCO2 ZINC000065623592 174377569 /nfs/dbraw/zinc/37/75/69/174377569.db2.gz KXTWEWSBAZZGJH-UHFFFAOYSA-N 0 0 240.324 2.586 50 0 BFAARN COCOc1cc(F)ccc1Br ZINC000034506614 174432070 /nfs/dbraw/zinc/43/20/70/174432070.db2.gz BYINJCPFBLKYCH-UHFFFAOYSA-N 0 0 235.052 2.571 50 0 BFAARN COCc1ccc(CNC(=O)CC(C)(C)C)cc1 ZINC000036395824 174623059 /nfs/dbraw/zinc/62/30/59/174623059.db2.gz WZXOHGQCAJWUJI-UHFFFAOYSA-N 0 0 249.354 2.885 50 0 BFAARN CON(C(=O)OC(C)C)c1ccccc1 ZINC000000400490 174654381 /nfs/dbraw/zinc/65/43/81/174654381.db2.gz ZZROKOPJNOONCW-UHFFFAOYSA-N 0 0 209.245 2.599 50 0 BFAARN COc1cc(-c2cccnc2)ccc1NC(C)=O ZINC000032580940 174937876 /nfs/dbraw/zinc/93/78/76/174937876.db2.gz GXNMTKRQJUMBMD-UHFFFAOYSA-N 0 0 242.278 2.716 50 0 BFAARN COc1cc(F)c(Br)cc1F ZINC000002512501 174990439 /nfs/dbraw/zinc/99/04/39/174990439.db2.gz OOTXNQBDWFJMNN-UHFFFAOYSA-N 0 0 223.016 2.736 50 0 BFAARN COc1cc(NCc2ccccn2)cc(OC)c1 ZINC000019909762 175003570 /nfs/dbraw/zinc/00/35/70/175003570.db2.gz RWUQPWFKPIVGED-UHFFFAOYSA-N 0 0 244.294 2.711 50 0 BFAARN COc1cc2cc(OC)c(OC)cc2cc1OC ZINC000014628746 175026467 /nfs/dbraw/zinc/02/64/67/175026467.db2.gz SHRMNWAPYJYUHG-UHFFFAOYSA-N 0 0 248.278 2.874 50 0 BFAARN COc1cc2nc(Cl)sc2cc1OC ZINC000003866481 175028282 /nfs/dbraw/zinc/02/82/82/175028282.db2.gz VQLUSLHALUKRLE-UHFFFAOYSA-N 0 0 229.688 2.967 50 0 BFAARN COc1ccc(-c2cc(Cl)ncn2)cc1 ZINC000026420715 175031427 /nfs/dbraw/zinc/03/14/27/175031427.db2.gz FNEKYVMAYAGBHY-UHFFFAOYSA-N 0 0 220.659 2.806 50 0 BFAARN COc1ccc(-c2cc(SC)n[nH]2)cc1 ZINC000008715605 175032632 /nfs/dbraw/zinc/03/26/32/175032632.db2.gz MIISHAVOZVTBNS-UHFFFAOYSA-N 0 0 220.297 2.807 50 0 BFAARN COc1ccc(-c2ccc(C=O)o2)cc1 ZINC000002510908 175033328 /nfs/dbraw/zinc/03/33/28/175033328.db2.gz JPCUGGGXLKGQEP-UHFFFAOYSA-N 0 0 202.209 2.768 50 0 BFAARN COc1ccc(-c2cccc3[nH]ccc32)nn1 ZINC000067587517 175034916 /nfs/dbraw/zinc/03/49/16/175034916.db2.gz RIDBNEFYQFCBRM-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN COc1ccc(-c2n[nH]cc2C)cc1F ZINC000001396359 175038029 /nfs/dbraw/zinc/03/80/29/175038029.db2.gz KPUCKYWPTNWIMH-UHFFFAOYSA-N 0 0 206.220 2.533 50 0 BFAARN COc1ccc(C(=O)C(F)(F)F)cc1C ZINC000002579829 175052821 /nfs/dbraw/zinc/05/28/21/175052821.db2.gz KCQDIOQETYWJRX-UHFFFAOYSA-N 0 0 218.174 2.749 50 0 BFAARN COc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000012410473 175057877 /nfs/dbraw/zinc/05/78/77/175057877.db2.gz YXADNHMHAQGLNJ-TXEJJXNPSA-N 0 0 247.338 2.813 50 0 BFAARN COc1ccc(C(=O)NC(C)(C)C)cc1C ZINC000014291995 175058344 /nfs/dbraw/zinc/05/83/44/175058344.db2.gz GBTXVGOTUYHSPE-UHFFFAOYSA-N 0 0 221.300 2.532 50 0 BFAARN COc1ccc(C(=O)NCC2=CCCCC2)cc1 ZINC000072437128 175059577 /nfs/dbraw/zinc/05/95/77/175059577.db2.gz DUBYJBMOARPVFE-UHFFFAOYSA-N 0 0 245.322 2.925 50 0 BFAARN COc1ccc(C(=O)Oc2ccccc2)cc1 ZINC000000294781 175065348 /nfs/dbraw/zinc/06/53/48/175065348.db2.gz BNZYBNYNPXKWCM-UHFFFAOYSA-N 0 0 228.247 2.914 50 0 BFAARN COc1ccc(C(C)(C)O)cc1Br ZINC000057534858 175067942 /nfs/dbraw/zinc/06/79/42/175067942.db2.gz INXLMQJSTKLRME-UHFFFAOYSA-N 0 0 245.116 2.685 50 0 BFAARN COc1ccc(C(F)(F)F)c(F)c1O ZINC000261493703 175070011 /nfs/dbraw/zinc/07/00/11/175070011.db2.gz HMLYTIRELRDCRR-UHFFFAOYSA-N 0 0 210.126 2.559 50 0 BFAARN COc1ccc(C(F)(F)F)nc1Cl ZINC000047218624 175070097 /nfs/dbraw/zinc/07/00/97/175070097.db2.gz CBYYYYRJKKWLDI-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN COc1ccc(C)cc1C(=O)Nc1nccs1 ZINC000007918980 175073748 /nfs/dbraw/zinc/07/37/48/175073748.db2.gz MZBFPMFFHKTPBV-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 BFAARN COc1ccc(C)cc1NC(=O)c1ccncc1 ZINC000000909978 175077548 /nfs/dbraw/zinc/07/75/48/175077548.db2.gz SQRWYSOKGNTMIW-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(C)cc1NC(=O)N1CCCC1 ZINC000006698309 175077554 /nfs/dbraw/zinc/07/75/54/175077554.db2.gz PNPPRPGFJTZYBW-UHFFFAOYSA-N 0 0 234.299 2.631 50 0 BFAARN COc1ccc(C)cc1NC(=O)CC(C)C ZINC000000483059 175077590 /nfs/dbraw/zinc/07/75/90/175077590.db2.gz LCDPFYCMBCUAJJ-UHFFFAOYSA-N 0 0 221.300 2.988 50 0 BFAARN COc1ccc(C)cc1NC(=O)c1cc(C)on1 ZINC000007971261 175077950 /nfs/dbraw/zinc/07/79/50/175077950.db2.gz AVKJFYZJFOTFQU-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1ccc(C)cc1N[C@@H](C)c1nc(C)no1 ZINC000036396768 175078436 /nfs/dbraw/zinc/07/84/36/175078436.db2.gz ULSBFMBHOKKTOF-VIFPVBQESA-N 0 0 247.298 2.868 50 0 BFAARN COc1ccc(C=O)cc1Cc1c(C)noc1C ZINC000004944073 175086180 /nfs/dbraw/zinc/08/61/80/175086180.db2.gz KYMFDJYFADPPKK-UHFFFAOYSA-N 0 0 245.278 2.703 50 0 BFAARN COc1ccc(CCc2ncccc2O)cc1 ZINC000000186613 175093412 /nfs/dbraw/zinc/09/34/12/175093412.db2.gz HRFPTQCLYZRBDT-UHFFFAOYSA-N 0 0 229.279 2.581 50 0 BFAARN COc1ccc(CNC(=O)c2occc2C)cc1 ZINC000008718806 175105927 /nfs/dbraw/zinc/10/59/27/175105927.db2.gz WJHYPNIPXOMXKA-UHFFFAOYSA-N 0 0 245.278 2.527 50 0 BFAARN COc1ccc(COc2ccccc2CO)cc1 ZINC000020032783 175114268 /nfs/dbraw/zinc/11/42/68/175114268.db2.gz RAACNNWSRKXLDS-UHFFFAOYSA-N 0 0 244.290 2.767 50 0 BFAARN COc1ccc(NC(=O)CC2CCC2)c(OC)c1 ZINC000000446259 175141721 /nfs/dbraw/zinc/14/17/21/175141721.db2.gz AWOILOOGTXWSMM-UHFFFAOYSA-N 0 0 249.310 2.833 50 0 BFAARN COc1ccc(NC(=O)CSC)cc1Cl ZINC000000149899 175142344 /nfs/dbraw/zinc/14/23/44/175142344.db2.gz NNUWXGNFXXFIGA-UHFFFAOYSA-N 0 0 245.731 2.650 50 0 BFAARN COc1ccc(NC(=O)N2CCC[C@H](C)C2)cc1 ZINC000000398418 175143709 /nfs/dbraw/zinc/14/37/09/175143709.db2.gz IXNHTIQNLQFRDQ-NSHDSACASA-N 0 0 248.326 2.959 50 0 BFAARN COc1ccc(NC(=O)Nc2ccccc2)cn1 ZINC000016227726 175144722 /nfs/dbraw/zinc/14/47/22/175144722.db2.gz GEWGSFXZLJCRSO-UHFFFAOYSA-N 0 0 243.266 2.734 50 0 BFAARN COc1ccc(NC(=O)c2ccoc2)cc1F ZINC000048326330 175147347 /nfs/dbraw/zinc/14/73/47/175147347.db2.gz HXFSYSZKLGSAJE-UHFFFAOYSA-N 0 0 235.214 2.680 50 0 BFAARN COc1ccc(NC(=O)c2ccco2)c(OC)c1 ZINC000000102757 175147740 /nfs/dbraw/zinc/14/77/40/175147740.db2.gz YWAQGIJFAUWHBN-UHFFFAOYSA-N 0 0 247.250 2.549 50 0 BFAARN COc1ccc(NCCc2ccccn2)cc1 ZINC000004231705 175150374 /nfs/dbraw/zinc/15/03/74/175150374.db2.gz NXRQNMNZSKSLEE-UHFFFAOYSA-N 0 0 228.295 2.745 50 0 BFAARN COc1ccc(NCc2cccnc2)cc1 ZINC000000182278 175152174 /nfs/dbraw/zinc/15/21/74/175152174.db2.gz AXQATVJXAMWAHA-UHFFFAOYSA-N 0 0 214.268 2.702 50 0 BFAARN COc1ccc(OC)c(CNCc2ccco2)c1 ZINC000000784591 175165665 /nfs/dbraw/zinc/16/56/65/175165665.db2.gz BSKGXVONRAQVIE-UHFFFAOYSA-N 0 0 247.294 2.587 50 0 BFAARN COc1ccc(Oc2ccc(CO)cc2)cc1 ZINC000020435416 175174162 /nfs/dbraw/zinc/17/41/62/175174162.db2.gz SIMWZMPQYDJHPV-UHFFFAOYSA-N 0 0 230.263 2.980 50 0 BFAARN COc1ccc([C@H](C)O)c(Br)c1 ZINC000040264550 175190261 /nfs/dbraw/zinc/19/02/61/175190261.db2.gz UJSSRKRHXCIJRN-LURJTMIESA-N 0 0 231.089 2.511 50 0 BFAARN COc1ccc([C@H]2CCCN2C(=O)C2CC2)cc1 ZINC000052920122 175194411 /nfs/dbraw/zinc/19/44/11/175194411.db2.gz TXIJHAPCZRCMHZ-CQSZACIVSA-N 0 0 245.322 2.769 50 0 BFAARN COc1ccc2[nH]c(N3CCCCC3)nc2c1 ZINC000000305268 175201999 /nfs/dbraw/zinc/20/19/99/175201999.db2.gz KLJZYJJYRWZUKI-UHFFFAOYSA-N 0 0 231.299 2.562 50 0 BFAARN COc1ccc2c(C)c(C(C)=O)oc2c1 ZINC000026513623 175203428 /nfs/dbraw/zinc/20/34/28/175203428.db2.gz ICSNQAOCHLZCKL-UHFFFAOYSA-N 0 0 204.225 2.952 50 0 BFAARN COc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000000057515 175203523 /nfs/dbraw/zinc/20/35/23/175203523.db2.gz HAZHUELNIGDYQH-UHFFFAOYSA-N 0 0 244.168 2.820 50 0 BFAARN COc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000000405089 175207168 /nfs/dbraw/zinc/20/71/68/175207168.db2.gz QNBZCSMULZKFNV-UHFFFAOYSA-N 0 0 210.232 2.907 50 0 BFAARN COc1cccc(-c2cc(C)c(C)[nH]c2=O)c1F ZINC000096164312 175233487 /nfs/dbraw/zinc/23/34/87/175233487.db2.gz GOEIGYSSTBTRDJ-UHFFFAOYSA-N 0 0 247.269 2.806 50 0 BFAARN COc1cccc(C(=O)NC(C2CC2)C2CC2)c1 ZINC000022534270 175244815 /nfs/dbraw/zinc/24/48/15/175244815.db2.gz GYUKCRAEHOZFTP-UHFFFAOYSA-N 0 0 245.322 2.614 50 0 BFAARN COc1cccc(C(=O)NC2CCCC2)c1C ZINC000072115336 175244830 /nfs/dbraw/zinc/24/48/30/175244830.db2.gz KXNMWYUYRAZSCI-UHFFFAOYSA-N 0 0 233.311 2.676 50 0 BFAARN COc1cccc(C(=O)c2ccc(C)cc2)n1 ZINC000045028718 175246879 /nfs/dbraw/zinc/24/68/79/175246879.db2.gz DKNSFOAJMJPFHM-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1cccc(C(=O)c2ccc(Cl)cc2)n1 ZINC000045028727 175246939 /nfs/dbraw/zinc/24/69/39/175246939.db2.gz QVFGUKJKIPGFIF-UHFFFAOYSA-N 0 0 247.681 2.975 50 0 BFAARN COc1cccc(C(=S)N2CCCCC2)c1 ZINC000000306117 175247119 /nfs/dbraw/zinc/24/71/19/175247119.db2.gz YMKKUNZWKJWHJW-UHFFFAOYSA-N 0 0 235.352 2.857 50 0 BFAARN COc1cccc(C(=O)c2ccc(O)cc2)c1 ZINC000000185729 175247137 /nfs/dbraw/zinc/24/71/37/175247137.db2.gz USYZLABLTLYZKW-UHFFFAOYSA-N 0 0 228.247 2.632 50 0 BFAARN COc1cccc(C(=O)c2c(F)cccc2F)n1 ZINC000045028756 175247284 /nfs/dbraw/zinc/24/72/84/175247284.db2.gz MLBSWTGSAJKXEJ-UHFFFAOYSA-N 0 0 249.216 2.599 50 0 BFAARN COc1cccc(C(=O)c2c(C)cccc2C)n1 ZINC000045028774 175247292 /nfs/dbraw/zinc/24/72/92/175247292.db2.gz ZWEOSWIXOKUSEH-UHFFFAOYSA-N 0 0 241.290 2.938 50 0 BFAARN COc1cccc(C(=O)c2cc(C)ccn2)c1 ZINC000045028589 175247307 /nfs/dbraw/zinc/24/73/07/175247307.db2.gz HGJOQJCPNNWZAI-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1cccc(C)c1Br ZINC000036438625 175247638 /nfs/dbraw/zinc/24/76/38/175247638.db2.gz ZPXCHEDAXFJYBZ-UHFFFAOYSA-N 0 0 201.063 2.766 50 0 BFAARN COc1cccc(Cn2cc(Cl)cn2)c1 ZINC000098012587 175273318 /nfs/dbraw/zinc/27/33/18/175273318.db2.gz WLCKAIQDMTWXBQ-UHFFFAOYSA-N 0 0 222.675 2.593 50 0 BFAARN COc1cccc(NC(=O)Oc2cccnc2)c1 ZINC000000395432 175277664 /nfs/dbraw/zinc/27/76/64/175277664.db2.gz LKOXKAZGFOMSCB-UHFFFAOYSA-N 0 0 244.250 2.701 50 0 BFAARN COc1cccc(NC(=O)c2ccco2)c1 ZINC000000029987 175277793 /nfs/dbraw/zinc/27/77/93/175277793.db2.gz ARJHLCDDEHJQRC-UHFFFAOYSA-N 0 0 217.224 2.541 50 0 BFAARN COc1cccc(OC)c1[C@@H](O)c1ccccc1 ZINC000000399602 175282693 /nfs/dbraw/zinc/28/26/93/175282693.db2.gz ASUKMZLOPSASOZ-HNNXBMFYSA-N 0 0 244.290 2.786 50 0 BFAARN COc1cccc(S[C@H](C)C(C)=O)c1 ZINC000035230718 175285988 /nfs/dbraw/zinc/28/59/88/175285988.db2.gz GVMIDHRWIQNRDA-SECBINFHSA-N 0 0 210.298 2.765 50 0 BFAARN COc1cccc([C@H]2CCCN2C(=O)C2CC2)c1 ZINC000032889850 175296164 /nfs/dbraw/zinc/29/61/64/175296164.db2.gz AOHKYIQUEZJXQC-CQSZACIVSA-N 0 0 245.322 2.769 50 0 BFAARN COc1cccc([S@@](=O)CC2CCCC2)c1 ZINC000097033802 175297716 /nfs/dbraw/zinc/29/77/16/175297716.db2.gz FUADSRWTTQBFSI-MRXNPFEDSA-N 0 0 238.352 2.993 50 0 BFAARN COc1cccc2sc(N3CCCC3)nc21 ZINC000000251254 175308498 /nfs/dbraw/zinc/30/84/98/175308498.db2.gz FHCZPMNPKUUKFX-UHFFFAOYSA-N 0 0 234.324 2.905 50 0 BFAARN COc1ccccc1-c1cc[nH]c(=S)n1 ZINC000041231196 175309029 /nfs/dbraw/zinc/30/90/29/175309029.db2.gz AVRLCQGGAXSRJM-UHFFFAOYSA-N 0 0 218.281 2.815 50 0 BFAARN COc1ccccc1-c1nc(C=O)cs1 ZINC000037974040 175310796 /nfs/dbraw/zinc/31/07/96/175310796.db2.gz ZOSOJISOZSLKEH-UHFFFAOYSA-N 0 0 219.265 2.631 50 0 BFAARN COc1ccccc1C(=O)NCc1ccccc1 ZINC000000080644 175317908 /nfs/dbraw/zinc/31/79/08/175317908.db2.gz YJJRNVSVZRWSNI-UHFFFAOYSA-N 0 0 241.290 2.625 50 0 BFAARN COc1ccccc1C(=O)Nc1ccc(C)cn1 ZINC000000482824 175318707 /nfs/dbraw/zinc/31/87/07/175318707.db2.gz VMBVBLIZHPDVSX-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccccc1C(=O)c1ccc(O)cc1 ZINC000041249657 175320011 /nfs/dbraw/zinc/32/00/11/175320011.db2.gz BKGKCRVOQOWLQA-UHFFFAOYSA-N 0 0 228.247 2.632 50 0 BFAARN COc1ccccc1N(C(C)=O)[C@H](C)C1CC1 ZINC000000392704 175334491 /nfs/dbraw/zinc/33/44/91/175334491.db2.gz ADQXPDZRFGHZAK-SNVBAGLBSA-N 0 0 233.311 2.847 50 0 BFAARN COc1ccccc1SCCC(C)=O ZINC000041030992 175343439 /nfs/dbraw/zinc/34/34/39/175343439.db2.gz PYMCIFQTJFXNNQ-UHFFFAOYSA-N 0 0 210.298 2.766 50 0 BFAARN COc1ccccc1[C@@H](C)NC(=O)C(C)C ZINC000049940531 175344746 /nfs/dbraw/zinc/34/47/46/175344746.db2.gz WVOTZMNWSORPEZ-SNVBAGLBSA-N 0 0 221.300 2.528 50 0 BFAARN COc1ccccc1[C@H](C)NC(=O)C(C)(C)C ZINC000058266895 175350586 /nfs/dbraw/zinc/35/05/86/175350586.db2.gz HJGQWBNHCIMIMH-JTQLQIEISA-N 0 0 235.327 2.919 50 0 BFAARN COc1cnc(Cl)c(Br)c1 ZINC000038537026 175380994 /nfs/dbraw/zinc/38/09/94/175380994.db2.gz OHABUHZFENICAZ-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN COc1cncc(-c2ccc(F)cc2)c1 ZINC000047204800 175382451 /nfs/dbraw/zinc/38/24/51/175382451.db2.gz RRVNYVUQPJSKNT-UHFFFAOYSA-N 0 0 203.216 2.896 50 0 BFAARN COc1ncc(Cl)cc1OCC(F)(F)F ZINC000065337583 175399813 /nfs/dbraw/zinc/39/98/13/175399813.db2.gz ZFEUGKLODVCOCF-UHFFFAOYSA-N 0 0 241.596 2.685 50 0 BFAARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC1 ZINC000217587777 175456103 /nfs/dbraw/zinc/45/61/03/175456103.db2.gz HJPMMMLFFPHQKX-FOSCPWQOSA-N 0 0 239.384 2.672 50 0 BFAARN CSCC(=O)Nc1ccc(SC)cc1 ZINC000008048779 175461750 /nfs/dbraw/zinc/46/17/50/175461750.db2.gz RRSDZISHXLIOPV-UHFFFAOYSA-N 0 0 227.354 2.710 50 0 BFAARN CSCCn1c(=O)sc2c1CCCCC2 ZINC000170595990 175509500 /nfs/dbraw/zinc/50/95/00/175509500.db2.gz HSANWOBDRIAEDT-UHFFFAOYSA-N 0 0 243.397 2.542 50 0 BFAARN CS[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000206690257 175549438 /nfs/dbraw/zinc/54/94/38/175549438.db2.gz IMYJZXHGTTTZNA-LLVKDONJSA-N 0 0 236.340 2.656 50 0 BFAARN CSc1cccc(NC(=O)NC2CC2)c1 ZINC000013320057 175580417 /nfs/dbraw/zinc/58/04/17/175580417.db2.gz HEBWRQRAGHDRAE-UHFFFAOYSA-N 0 0 222.313 2.692 50 0 BFAARN CSc1ccccc1C(=O)N1CCCC1 ZINC000000582002 175582282 /nfs/dbraw/zinc/58/22/82/175582282.db2.gz PIIHQJZWXCBATC-UHFFFAOYSA-N 0 0 221.325 2.645 50 0 BFAARN C[C@@H](CCc1ccco1)NC(=O)C1CCCC1 ZINC000047741182 175686856 /nfs/dbraw/zinc/68/68/56/175686856.db2.gz WECVNWVZMXLHRP-NSHDSACASA-N 0 0 235.327 2.907 50 0 BFAARN C[C@@H](NC(=O)C1CCCCC1)c1cccnc1 ZINC000012536706 175827578 /nfs/dbraw/zinc/82/75/78/175827578.db2.gz NJFWVJNEKNXEMH-LLVKDONJSA-N 0 0 232.327 2.839 50 0 BFAARN C[C@@H](NC(N)=S)c1ccc(Cl)cc1Cl ZINC000034971886 175856170 /nfs/dbraw/zinc/85/61/70/175856170.db2.gz TZOJBQPAHVWAOP-RXMQYKEDSA-N 0 0 249.166 2.888 50 0 BFAARN C[C@@H](NC(=O)NC1CCCCC1)c1ccncc1 ZINC000012950289 175838182 /nfs/dbraw/zinc/83/81/82/175838182.db2.gz ULXITJBFDNTQEN-LLVKDONJSA-N 0 0 247.342 2.775 50 0 BFAARN C[C@@H](NCC(F)(F)F)[C@H]1COc2ccccc21 ZINC000097112629 175865278 /nfs/dbraw/zinc/86/52/78/175865278.db2.gz WLMHYKNGEVSKHK-PSASIEDQSA-N 0 0 245.244 2.703 50 0 BFAARN C[C@@H](Nc1ncnc2ccccc21)[C@H]1CCCO1 ZINC000037493050 175939356 /nfs/dbraw/zinc/93/93/56/175939356.db2.gz QORNVGIUSDIGEH-ZWNOBZJWSA-N 0 0 243.310 2.609 50 0 BFAARN C[C@@H](Oc1ccc(F)cc1)C(=O)NC(C)(C)C ZINC000042630856 176003947 /nfs/dbraw/zinc/00/39/47/176003947.db2.gz ZCTCXLSTPJRJIC-SECBINFHSA-N 0 0 239.290 2.508 50 0 BFAARN C[C@@H](Oc1cccc(Cl)c1)n1cncn1 ZINC000002473922 176005084 /nfs/dbraw/zinc/00/50/84/176005084.db2.gz NHOYPQIQGDWPCS-MRVPVSSYSA-N 0 0 223.663 2.529 50 0 BFAARN C[C@@H](Oc1ccccc1)c1csc(N)n1 ZINC000019089728 176005552 /nfs/dbraw/zinc/00/55/52/176005552.db2.gz IOYUQHJSBCNHPU-MRVPVSSYSA-N 0 0 220.297 2.865 50 0 BFAARN C[C@@H](SC(F)(F)F)C(=O)N1CCCCC1 ZINC000040513818 176006982 /nfs/dbraw/zinc/00/69/82/176006982.db2.gz DYELGXBEEXNYKQ-SSDOTTSWSA-N 0 0 241.278 2.640 50 0 BFAARN C[C@@H](Sc1nncn1C)c1ccc(F)cc1 ZINC000040456916 176011484 /nfs/dbraw/zinc/01/14/84/176011484.db2.gz MZSUVFNJTXUCGC-MRVPVSSYSA-N 0 0 237.303 2.808 50 0 BFAARN C[C@@H](c1ccccn1)N(C)Cc1ccccn1 ZINC000091990738 176026092 /nfs/dbraw/zinc/02/60/92/176026092.db2.gz MLIJUFZTDPFALN-LBPRGKRZSA-N 0 0 227.311 2.670 50 0 BFAARN C[C@@H](c1cccs1)N(C)C(=O)C1CC1 ZINC000032841969 176032925 /nfs/dbraw/zinc/03/29/25/176032925.db2.gz MUFOTCOIISPALD-QMMMGPOBSA-N 0 0 209.314 2.678 50 0 BFAARN C[C@@H]1CCCCN1C(=O)Cc1cccs1 ZINC000000450270 176066059 /nfs/dbraw/zinc/06/60/59/176066059.db2.gz PJBODDJXBCIVCU-SNVBAGLBSA-N 0 0 223.341 2.692 50 0 BFAARN C[C@@H]1CCCCN1C(=O)c1cccnc1Cl ZINC000001480359 176068882 /nfs/dbraw/zinc/06/88/82/176068882.db2.gz FJJONAHGVJUXRU-SECBINFHSA-N 0 0 238.718 2.750 50 0 BFAARN C[C@@H]1CCCCN1C(=S)NC1CCCC1 ZINC000001123885 176069583 /nfs/dbraw/zinc/06/95/83/176069583.db2.gz MOWYTGBIFWPLLM-SNVBAGLBSA-N 0 0 226.389 2.678 50 0 BFAARN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccoc1 ZINC000032787809 176085954 /nfs/dbraw/zinc/08/59/54/176085954.db2.gz ZVAFQZJUJIITQD-ZYHUDNBSSA-N 0 0 221.300 2.930 50 0 BFAARN C[C@@H]1CCCC[C@H]1NC1N=NC(=S)S1 ZINC000006382226 176089784 /nfs/dbraw/zinc/08/97/84/176089784.db2.gz VPEXGPZGXPUORY-RNFRBKRXSA-N 0 0 229.374 2.817 50 0 BFAARN C[C@@H]1CCCN(C(=O)CCc2ccsc2)C1 ZINC000032721991 176092119 /nfs/dbraw/zinc/09/21/19/176092119.db2.gz SHLHVVCAIWGMSZ-LLVKDONJSA-N 0 0 237.368 2.939 50 0 BFAARN C[C@@H]1CCCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC000130445513 176092310 /nfs/dbraw/zinc/09/23/10/176092310.db2.gz AATZITGSAXRFEE-OLZOCXBDSA-N 0 0 239.359 2.594 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC000001460930 176095238 /nfs/dbraw/zinc/09/52/38/176095238.db2.gz BNRUHXFLAYZLRK-SNVBAGLBSA-N 0 0 221.275 2.698 50 0 BFAARN C[C@@H]1CCCN(Cc2nc(C(C)(C)C)no2)C1 ZINC000065550923 176101178 /nfs/dbraw/zinc/10/11/78/176101178.db2.gz SMAVIRBQHYJZFL-SNVBAGLBSA-N 0 0 237.347 2.599 50 0 BFAARN C[C@@H]1CCC[C@@H](C)N1NC(=O)Cc1ccccc1 ZINC000007787240 176116627 /nfs/dbraw/zinc/11/66/27/176116627.db2.gz VSXLRHWWXXDYSN-CHWSQXEVSA-N 0 0 246.354 2.523 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC000000406290 176122662 /nfs/dbraw/zinc/12/26/62/176122662.db2.gz BSTHPONDLDGVEB-DGCLKSJQSA-N 0 0 217.312 2.995 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)c2ccncc2)[C@@H]1C ZINC000004672450 176142965 /nfs/dbraw/zinc/14/29/65/176142965.db2.gz SHKLDZKVVIWFGH-WZRBSPASSA-N 0 0 232.327 2.636 50 0 BFAARN C[C@@H]1CCCc2c1nc1ccccc1c2C(N)=O ZINC000006250190 176152731 /nfs/dbraw/zinc/15/27/31/176152731.db2.gz AGETZEYQPDFLQR-SECBINFHSA-N 0 0 240.306 2.774 50 0 BFAARN C[C@@H]1CCC[C@@]2(C1)Nc1ccccc1C(=O)N2 ZINC000066128176 176152779 /nfs/dbraw/zinc/15/27/79/176152779.db2.gz QFNGBFKANBGZQH-QMTHXVAHSA-N 0 0 230.311 2.748 50 0 BFAARN C[C@@H]1CN(C(=O)NCC2CC2)[C@H]1c1ccccc1 ZINC000170004150 176250985 /nfs/dbraw/zinc/25/09/85/176250985.db2.gz IYNCISVLLJACPG-BXUZGUMPSA-N 0 0 244.338 2.799 50 0 BFAARN C[C@@H]1CN(Cc2c(F)cccc2F)C[C@@H](C)O1 ZINC000019608801 176301252 /nfs/dbraw/zinc/30/12/52/176301252.db2.gz XEFIXQWGJMEGAL-NXEZZACHSA-N 0 0 241.281 2.574 50 0 BFAARN C[C@@H]1CN=C(Nc2ccc(N(C)C)cc2)S1 ZINC000012341402 176324473 /nfs/dbraw/zinc/32/44/73/176324473.db2.gz GRFZECBQOVYTMH-SECBINFHSA-N 0 0 235.356 2.656 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)Cc2ccc(F)cc2)C1 ZINC000000073887 176359757 /nfs/dbraw/zinc/35/97/57/176359757.db2.gz REQIKLMUMQHHKZ-VXGBXAGGSA-N 0 0 249.329 2.873 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)C[C@H]2C=CCC2)C1 ZINC000032747731 176360060 /nfs/dbraw/zinc/36/00/60/176360060.db2.gz XBRHKOKFAOVBSD-UPJWGTAASA-N 0 0 221.344 2.847 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccsc2)C1 ZINC000032731180 176360436 /nfs/dbraw/zinc/36/04/36/176360436.db2.gz YKSGDGJNHNHHPE-NXEZZACHSA-N 0 0 223.341 2.866 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(C3CC3)on2)C1 ZINC000096997481 176360621 /nfs/dbraw/zinc/36/06/21/176360621.db2.gz XHCUPMSIAIMJBC-NXEZZACHSA-N 0 0 248.326 2.670 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(Cc2nnsc2Cl)C1 ZINC000035164952 176362319 /nfs/dbraw/zinc/36/23/19/176362319.db2.gz SFUIILRXKBXIQJ-HTQZYQBOSA-N 0 0 245.779 2.669 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000012979423 176384540 /nfs/dbraw/zinc/38/45/40/176384540.db2.gz AHXDZHQQWSTZBK-SKDRFNHKSA-N 0 0 237.730 2.954 50 0 BFAARN C[C@H](NC(=O)c1ccccn1)c1ccc(F)cc1 ZINC000003344761 176819800 /nfs/dbraw/zinc/81/98/00/176819800.db2.gz YFHWYTUOFFKNTA-JTQLQIEISA-N 0 0 244.269 2.712 50 0 BFAARN C[C@H](O)c1c(F)cccc1Br ZINC000075852776 177016073 /nfs/dbraw/zinc/01/60/73/177016073.db2.gz JIUIEPDQCBTIEI-YFKPBYRVSA-N 0 0 219.053 2.642 50 0 BFAARN C[C@H](O)c1cccc(Br)c1 ZINC000000404020 177016989 /nfs/dbraw/zinc/01/69/89/177016989.db2.gz ULMJQMDYAOJNCC-LURJTMIESA-N 0 0 201.063 2.502 50 0 BFAARN C[C@H](OC(=O)c1cccn1C)c1ccccc1 ZINC000009057959 177020485 /nfs/dbraw/zinc/02/04/85/177020485.db2.gz CTYLXWOOPDQEED-NSHDSACASA-N 0 0 229.279 2.943 50 0 BFAARN C[C@H](SCC1CCCC1)C(=O)NC1CC1 ZINC000095940640 177026823 /nfs/dbraw/zinc/02/68/23/177026823.db2.gz XNXWKEMSAZHDET-VIFPVBQESA-N 0 0 227.373 2.577 50 0 BFAARN C[C@H](c1ccc(C(=O)[O-])o1)[NH+]1CCCCC1 ZINC000004690255 177033255 /nfs/dbraw/zinc/03/32/55/177033255.db2.gz GHIVIJCNBBEVPR-SECBINFHSA-N 0 0 223.272 2.525 50 0 BFAARN C[C@H]1C(=O)O[C@H](c2ccccc2)C(C)(C)C1=O ZINC000000194872 177060255 /nfs/dbraw/zinc/06/02/55/177060255.db2.gz UMJRKBNYWMJTJT-BXKDBHETSA-N 0 0 232.279 2.516 50 0 BFAARN C[C@H]1C=C2Nc3ccccc3N[C@H](C)C2C(=O)O1 ZINC000008684989 177067494 /nfs/dbraw/zinc/06/74/94/177067494.db2.gz MGSVAWXAVKWGOR-DTWKUNHWSA-N 0 0 244.294 2.502 50 0 BFAARN C[C@H]1CCCCN1C(=O)C1CCCCC1 ZINC000002748087 177071880 /nfs/dbraw/zinc/07/18/80/177071880.db2.gz MEVAOYUHYHMIBO-NSHDSACASA-N 0 0 209.333 2.968 50 0 BFAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1 ZINC000000971903 177082784 /nfs/dbraw/zinc/08/27/84/177082784.db2.gz BDVZXZBKLDUQNY-AAEUAGOBSA-N 0 0 217.312 2.995 50 0 BFAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccnc(F)c1 ZINC000041038712 177087994 /nfs/dbraw/zinc/08/79/94/177087994.db2.gz XAUJYEPLUXYYNZ-GXSJLCMTSA-N 0 0 236.290 2.529 50 0 BFAARN C[C@H]1CCCN(C(=O)/C=C\c2ccccc2)C1 ZINC000017023926 177091324 /nfs/dbraw/zinc/09/13/24/177091324.db2.gz NTENAXUBMPWURD-XPSMFNQNSA-N 0 0 229.323 2.958 50 0 BFAARN C[C@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 ZINC000000449993 177091427 /nfs/dbraw/zinc/09/14/27/177091427.db2.gz NTENAXUBMPWURD-LXKVQUBZSA-N 0 0 229.323 2.958 50 0 BFAARN C[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000032843732 177093672 /nfs/dbraw/zinc/09/36/72/177093672.db2.gz BJJIRGXHGXQQKS-NWDGAFQWSA-N 0 0 207.317 2.601 50 0 BFAARN C[C@H]1CCCN(C(=O)c2cc(Cl)ccn2)C1 ZINC000036804044 177094443 /nfs/dbraw/zinc/09/44/43/177094443.db2.gz UNSWOZHXRYDQLP-VIFPVBQESA-N 0 0 238.718 2.607 50 0 BFAARN C[C@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000012527641 177095385 /nfs/dbraw/zinc/09/53/85/177095385.db2.gz JMLCJWYXSGMCCL-LBPRGKRZSA-N 0 0 246.354 2.625 50 0 BFAARN C[C@H]1CCCN(Cc2nc(C(C)(C)C)no2)C1 ZINC000065550926 177103672 /nfs/dbraw/zinc/10/36/72/177103672.db2.gz SMAVIRBQHYJZFL-JTQLQIEISA-N 0 0 237.347 2.599 50 0 BFAARN C[C@@H]1CCC[C@H](C)N1C(=O)/C=C/c1ccccn1 ZINC000069580595 177114938 /nfs/dbraw/zinc/11/49/38/177114938.db2.gz WSZUVDRMUVAGNK-FGKUHMIRSA-N 0 0 244.338 2.884 50 0 BFAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccco1 ZINC000012341501 177116060 /nfs/dbraw/zinc/11/60/60/177116060.db2.gz QUWXLHIGIJVNOV-AOOOYVTPSA-N 0 0 207.273 2.683 50 0 BFAARN C[C@@H]1CCC[C@H](C)N1NC(=O)Nc1ccccc1 ZINC000016608895 177116728 /nfs/dbraw/zinc/11/67/28/177116728.db2.gz KVKGVVPJAWATOO-TXEJJXNPSA-N 0 0 247.342 2.986 50 0 BFAARN C[C@H]1CCC[C@@H](CSc2nncn2C)C1 ZINC000092199099 177120543 /nfs/dbraw/zinc/12/05/43/177120543.db2.gz JVCPIIVYJIBDRV-VHSXEESVSA-N 0 0 225.361 2.734 50 0 BFAARN C[C@H]1CN(Cc2cccc(Cl)c2)C[C@H](C)O1 ZINC000019606843 177265553 /nfs/dbraw/zinc/26/55/53/177265553.db2.gz ABPZVYPJUQZREO-QWRGUYRKSA-N 0 0 239.746 2.949 50 0 BFAARN C[C@H]1CN(Cc2csnn2)c2ccccc21 ZINC000097236467 177270472 /nfs/dbraw/zinc/27/04/72/177270472.db2.gz RRLDREGZPUUFBV-VIFPVBQESA-N 0 0 231.324 2.662 50 0 BFAARN C[C@H]1CN=C(Nc2ccc(F)cc2F)S1 ZINC000000086387 177281435 /nfs/dbraw/zinc/28/14/35/177281435.db2.gz RKBGXRCEDPWMPG-LURJTMIESA-N 0 0 228.267 2.868 50 0 BFAARN C[C@@H]1C[C@H](C)CN(Cc2nnsc2Cl)C1 ZINC000035164948 177314580 /nfs/dbraw/zinc/31/45/80/177314580.db2.gz SFUIILRXKBXIQJ-OCAPTIKFSA-N 0 0 245.779 2.669 50 0 BFAARN C[C@H]1C[C@@H](Sc2ccccc2F)C(=O)O1 ZINC000060891699 177338307 /nfs/dbraw/zinc/33/83/07/177338307.db2.gz BXCWIZOFEGMQNH-OIBJUYFYSA-N 0 0 226.272 2.622 50 0 BFAARN C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCC(=O)[O-] ZINC000116402602 177339024 /nfs/dbraw/zinc/33/90/24/177339024.db2.gz ONVKAZCNWPJCEK-GXTWGEPZSA-N 0 0 247.338 2.729 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)NCCC1=CCCCC1 ZINC000057287873 177340056 /nfs/dbraw/zinc/34/00/56/177340056.db2.gz LEASRAUSZBWTPU-JQWIXIFHSA-N 0 0 207.317 2.649 50 0 BFAARN C[C@H]1C[C@H](C)CN(C(=O)CCc2ccco2)C1 ZINC000032873686 177357605 /nfs/dbraw/zinc/35/76/05/177357605.db2.gz ACKOZZGUJBSBOI-RYUDHWBXSA-N 0 0 235.327 2.717 50 0 BFAARN C[C@H]1C[C@H](C)CN(C(=O)c2cc(C3CC3)on2)C1 ZINC000096997479 177358011 /nfs/dbraw/zinc/35/80/11/177358011.db2.gz XHCUPMSIAIMJBC-UWVGGRQHSA-N 0 0 248.326 2.670 50 0 BFAARN C[C@H]1C[C@H]1C(=O)Nc1nc2ccccc2s1 ZINC000012921730 177376804 /nfs/dbraw/zinc/37/68/04/177376804.db2.gz FHJQNQMNXFCJJM-JGVFFNPUSA-N 0 0 232.308 2.891 50 0 BFAARN C[C@H]1Cc2cc(-c3csc(N)n3)ccc2O1 ZINC000004973357 177387857 /nfs/dbraw/zinc/38/78/57/177387857.db2.gz WEPCMOGXKOWFIS-ZETCQYMHSA-N 0 0 232.308 2.716 50 0 BFAARN C[C@H]1Cc2ccccc2[C@H]1Nc1cnn(C)c1 ZINC000157327774 177391364 /nfs/dbraw/zinc/39/13/64/177391364.db2.gz IAIYKUVPTSCWJL-HZMBPMFUSA-N 0 0 227.311 2.766 50 0 BFAARN C[C@]12CCC(=O)N1CCc1c3ccccc3[nH]c12 ZINC000034463236 177483216 /nfs/dbraw/zinc/48/32/16/177483216.db2.gz YZCPZTYKWQSAJI-OAHLLOKOSA-N 0 0 240.306 2.562 50 0 BFAARN Cc1c(NC[C@@H](C)c2ccccc2)cnn1C ZINC000020351709 177617971 /nfs/dbraw/zinc/61/79/71/177617971.db2.gz CBBBZXFQVWMRFU-LLVKDONJSA-N 0 0 229.327 2.944 50 0 BFAARN Cc1c(N[C@@H]2CCSC2)cccc1N(C)C ZINC000097108502 177619603 /nfs/dbraw/zinc/61/96/03/177619603.db2.gz DCJOHJBKCXYXNY-LLVKDONJSA-N 0 0 236.384 2.978 50 0 BFAARN Cn1ccc(/C=C\C(=O)Nc2ccccc2F)c1 ZINC000493081777 226120428 /nfs/dbraw/zinc/12/04/28/226120428.db2.gz JPPXCBZIAMODHL-SREVYHEPSA-N 0 0 244.269 2.816 50 0 BFAARN CSc1nnc(C(C)C)n1Cc1ccco1 ZINC000048362003 487664507 /nfs/dbraw/zinc/66/45/07/487664507.db2.gz CBJGSTLSTSGBTR-UHFFFAOYSA-N 0 0 237.328 2.765 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000248512904 487799079 /nfs/dbraw/zinc/79/90/79/487799079.db2.gz CJMCXIVDFYLRQW-KZZRWZIVSA-N 0 0 209.333 2.583 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000248512987 487799748 /nfs/dbraw/zinc/79/97/48/487799748.db2.gz CJMCXIVDFYLRQW-LDMBFOFVSA-N 0 0 209.333 2.583 50 0 BFAARN COc1cccc([C@H](C)Sc2n[nH]c(C)n2)c1 ZINC000083203264 487825749 /nfs/dbraw/zinc/82/57/49/487825749.db2.gz FGDIAOHWSQTNHM-QMMMGPOBSA-N 0 0 249.339 2.975 50 0 BFAARN CC/C=C(\C)C(=O)N(C)Cc1ccco1 ZINC000046041940 487870919 /nfs/dbraw/zinc/87/09/19/487870919.db2.gz UNSJIHGXKYZMAL-UXBLZVDNSA-N 0 0 207.273 2.594 50 0 BFAARN CC/C=C(\C)C(=O)NCc1ccccc1OC ZINC000046042071 487870950 /nfs/dbraw/zinc/87/09/50/487870950.db2.gz NGFWXUYUFJZNEG-YRNVUSSQSA-N 0 0 233.311 2.668 50 0 BFAARN CCCc1cc(C(=O)N2CCC[C@@H]2C(C)C)[nH]n1 ZINC000049122555 487942871 /nfs/dbraw/zinc/94/28/71/487942871.db2.gz YFVLNHDGQWGXJR-CYBMUJFWSA-N 0 0 249.358 2.623 50 0 BFAARN C/C(=C/c1ccc2c(c1)CCO2)c1cnccn1 ZINC000097098188 322984411 /nfs/dbraw/zinc/98/44/11/322984411.db2.gz KQPKAOXKZLFGES-FLIBITNWSA-N 0 0 238.290 2.972 50 0 BFAARN COCc1nc2cc(-c3cc(C)[nH]n3)ccc2o1 ZINC000534580388 323153836 /nfs/dbraw/zinc/15/38/36/323153836.db2.gz DEBORBXPNJYWEC-UHFFFAOYSA-N 0 0 243.266 2.673 50 0 BFAARN CCn1nccc1-c1ccc(OC)c(C(C)=O)c1 ZINC000534636938 323157111 /nfs/dbraw/zinc/15/71/11/323157111.db2.gz JJIWLCACVDIMFY-UHFFFAOYSA-N 0 0 244.294 2.781 50 0 BFAARN CCCCNC(=O)c1ccc(-c2c[nH]nc2C)o1 ZINC000534658135 323157979 /nfs/dbraw/zinc/15/79/79/323157979.db2.gz WJQGIXKPWKRROE-UHFFFAOYSA-N 0 0 247.298 2.508 50 0 BFAARN Cc1cc(-c2ccc(CSCCO)cc2)n[nH]1 ZINC000534649803 323158327 /nfs/dbraw/zinc/15/83/27/323158327.db2.gz NSHUNVMGIUUORX-UHFFFAOYSA-N 0 0 248.351 2.611 50 0 BFAARN CCOC(=O)c1c(-c2ccccc2)cc[nH]c1=O ZINC000260000760 323227396 /nfs/dbraw/zinc/22/73/96/323227396.db2.gz GBZQHYVDNPQMPC-UHFFFAOYSA-N 0 0 243.262 2.631 50 0 BFAARN CC(C)CCC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000046488803 487968468 /nfs/dbraw/zinc/96/84/68/487968468.db2.gz WHQLYCLIFYTQKW-STQMWFEESA-N 0 0 239.359 2.593 50 0 BFAARN CC(C)n1cc(NC(=O)[C@@H]2CC23CCCC3)cn1 ZINC000567439092 326191431 /nfs/dbraw/zinc/19/14/31/326191431.db2.gz SWYNVXYNRODYOD-LBPRGKRZSA-N 0 0 247.342 2.983 50 0 BFAARN CCCOCC(=O)Nc1cccc(C)c1C(C)=O ZINC000157905622 326299666 /nfs/dbraw/zinc/29/96/66/326299666.db2.gz SLZRLCGCIJSTQM-UHFFFAOYSA-N 0 0 249.310 2.563 50 0 BFAARN CSc1ccc(Cn2ccnc2)cc1 ZINC000040477626 488029643 /nfs/dbraw/zinc/02/96/43/488029643.db2.gz GIHFZRQNKIIQJG-UHFFFAOYSA-N 0 0 204.298 2.653 50 0 BFAARN CNC(=O)NCCCCCCC(C)C ZINC000084510308 488055329 /nfs/dbraw/zinc/05/53/29/488055329.db2.gz AMLPTUCNNTVZLQ-UHFFFAOYSA-N 0 0 200.326 2.522 50 0 BFAARN CC(C)COC[C@H](C)NC(=O)c1cccs1 ZINC000084544419 488058081 /nfs/dbraw/zinc/05/80/81/488058081.db2.gz DPXKVNVANLJLTI-JTQLQIEISA-N 0 0 241.356 2.539 50 0 BFAARN Cc1nnc([C@]2(c3ccc(F)cc3)CC2(C)C)[nH]1 ZINC000670450283 487502205 /nfs/dbraw/zinc/50/22/05/487502205.db2.gz WJGYMGNQKHHNKG-CQSZACIVSA-N 0 0 245.301 2.968 50 0 BFAARN CC(C)(C)c1ccc(C(=O)c2ncc[nH]2)cc1 ZINC000000164578 490039990 /nfs/dbraw/zinc/03/99/90/490039990.db2.gz MUDXAFPEKCLKLK-UHFFFAOYSA-N 0 0 228.295 2.938 50 0 BFAARN Cc1cc(CN(Cc2ccco2)C2CC2)no1 ZINC000045004778 490138534 /nfs/dbraw/zinc/13/85/34/490138534.db2.gz VBAGYTYRVMWVBU-UHFFFAOYSA-N 0 0 232.283 2.741 50 0 BFAARN COc1ccccc1CNCc1oc(C)nc1C ZINC000394131350 490321857 /nfs/dbraw/zinc/32/18/57/490321857.db2.gz BAKOLXNPJCWLPZ-UHFFFAOYSA-N 0 0 246.310 2.590 50 0 BFAARN O=C(Nc1ncc(Cl)s1)c1cscn1 ZINC000078993984 490375510 /nfs/dbraw/zinc/37/55/10/490375510.db2.gz MKHJQCOOLFDBCV-UHFFFAOYSA-N 0 0 245.716 2.505 50 0 BFAARN Clc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000019633546 491063560 /nfs/dbraw/zinc/06/35/60/491063560.db2.gz BJZQKHKNZBGSOX-UHFFFAOYSA-N 0 0 246.137 2.826 50 0 BFAARN S=c1[n-]nc(CCCCc2ccccc2)o1 ZINC000007078304 491080340 /nfs/dbraw/zinc/08/03/40/491080340.db2.gz NNQUDAKTSWMACI-UHFFFAOYSA-N 0 0 234.324 2.924 50 0 BFAARN COC(=O)c1ccc2c(c1)nc(C)n2C(C)C ZINC000076210291 491125174 /nfs/dbraw/zinc/12/51/74/491125174.db2.gz WLTJFLMJMFOWKP-UHFFFAOYSA-N 0 0 232.283 2.712 50 0 BFAARN O=Cc1cc(O)cc(OCc2ccccc2F)c1 ZINC000114440906 491125605 /nfs/dbraw/zinc/12/56/05/491125605.db2.gz QAHGUHISNCAZOX-UHFFFAOYSA-N 0 0 246.237 2.923 50 0 BFAARN Cc1nc(C(=O)N2CCCCCCC2)cs1 ZINC000069315327 582504707 /nfs/dbraw/zinc/50/47/07/582504707.db2.gz JFFHXLFNOSASRT-UHFFFAOYSA-N 0 0 238.356 2.858 50 0 BFAARN CC(=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000253414144 519690707 /nfs/dbraw/zinc/69/07/07/519690707.db2.gz WPHXFPHKDGWQNN-CYBMUJFWSA-N 0 0 228.295 2.681 50 0 biogenic BFAARN CC(C)[C@@H]1OC[C@H]2Cc3ccccc3[C@H]2O1 ZINC000245377622 519807599 /nfs/dbraw/zinc/80/75/99/519807599.db2.gz NOBNLHDWQDMAEA-KWCYVHTRSA-N 0 0 218.296 2.929 50 0 biogenic BFAARN CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)OCC ZINC000242304991 520820563 /nfs/dbraw/zinc/82/05/63/520820563.db2.gz YTWLYZARXLUWAX-XQQFMLRXSA-N 0 0 241.375 2.887 50 0 BFAARN Nc1cncc(-c2n[nH]c3cccc(Cl)c32)c1 ZINC000426590006 534744740 /nfs/dbraw/zinc/74/47/40/534744740.db2.gz PYCYNYOKDOSDPC-UHFFFAOYSA-N 0 0 244.685 2.861 50 0 BFAARN COc1ccccc1-c1ccc(C(C)=O)cn1 ZINC000390822286 524270465 /nfs/dbraw/zinc/27/04/65/524270465.db2.gz YRVRWWMFQKIOEF-UHFFFAOYSA-N 0 0 227.263 2.960 50 0 BFAARN C[C@@H]1C[N@H+](CCC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000253430143 524936762 /nfs/dbraw/zinc/93/67/62/524936762.db2.gz WZLWUSHJUJQOJR-TZMCWYRMSA-N 0 0 247.338 2.587 50 0 BFAARN CC(C)(C)OC(=O)N1CCNc2ccccc21 ZINC000012357066 534840728 /nfs/dbraw/zinc/84/07/28/534840728.db2.gz DXXFPGTUHSMYSG-UHFFFAOYSA-N 0 0 234.299 2.854 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000239308976 525303983 /nfs/dbraw/zinc/30/39/83/525303983.db2.gz HCNCEEAFXADKPJ-WYUUTHIRSA-N 0 0 223.360 2.973 50 0 BFAARN Cc1sc(N)nc1-c1c(F)cccc1F ZINC000084942684 526878787 /nfs/dbraw/zinc/87/87/87/526878787.db2.gz ACGLVMOLTDYIAV-UHFFFAOYSA-N 0 0 226.251 2.979 50 0 BFAARN Cc1nn(-c2ccccc2O)cc1Cl ZINC000070705537 527566461 /nfs/dbraw/zinc/56/64/61/527566461.db2.gz QVEZEODGJINOLR-UHFFFAOYSA-N 0 0 208.648 2.540 50 0 BFAARN CC1CCN(c2nc(-c3ccccc3)no2)CC1 ZINC000021629617 528270521 /nfs/dbraw/zinc/27/05/21/528270521.db2.gz DQMPMAGETPYRPD-UHFFFAOYSA-N 0 0 243.310 2.973 50 0 BFAARN CC[C@@](C)(CCO)NC(=O)C1CCCCCC1 ZINC000226534124 535974481 /nfs/dbraw/zinc/97/44/81/535974481.db2.gz WEVMEGAFGDRCNF-AWEZNQCLSA-N 0 0 241.375 2.624 50 0 BFAARN CCOc1ccc(-c2cc(C)nn2CC)nc1 ZINC000685943501 537932965 /nfs/dbraw/zinc/93/29/65/537932965.db2.gz CZFDPVPUJZSIMY-UHFFFAOYSA-N 0 0 231.299 2.672 50 0 BFAARN C=CC(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000888102258 583182738 /nfs/dbraw/zinc/18/27/38/583182738.db2.gz RHJMUVLBEJUQOF-UHFFFAOYSA-N 0 0 235.714 2.527 50 0 BFAARN Oc1ccc([C@@H]2COc3cc(O)ccc3C2)cc1 ZINC000000388660 574410995 /nfs/dbraw/zinc/41/09/95/574410995.db2.gz ADFCQWZHKCXPAJ-LBPRGKRZSA-N 0 0 242.274 2.817 50 0 endogenous,in-vitro BFAARN COc1ccc2c(c1Cl)C(=O)CCC2 ZINC000215087087 582687494 /nfs/dbraw/zinc/68/74/94/582687494.db2.gz ITCQVGVXUWEVQF-UHFFFAOYSA-N 0 0 210.660 2.868 50 0 BFAARN C=CC(=O)N[C@H](c1ccc(F)cc1)C1CC1 ZINC000888102324 583182490 /nfs/dbraw/zinc/18/24/90/583182490.db2.gz MCTLDORPIAYQBK-ZDUSSCGKSA-N 0 0 219.259 2.579 50 0 BFAARN C=CC(=O)NCC1(c2cccs2)CCCC1 ZINC000888102368 583182756 /nfs/dbraw/zinc/18/27/56/583182756.db2.gz QOCCUTRDQPZYDT-UHFFFAOYSA-N 0 0 235.352 2.862 50 0 BFAARN CC(C)=C[C@@H]1[C@@H](C(=O)NC2CC2)C1(C)C ZINC000012905689 585024439 /nfs/dbraw/zinc/02/44/39/585024439.db2.gz PADZZLZDZKMHPI-MNOVXSKESA-N 0 0 207.317 2.503 50 0 BFAARN C=CC(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000791382358 585979667 /nfs/dbraw/zinc/97/96/67/585979667.db2.gz YGPSKLDBCWCJOS-UHFFFAOYSA-N 0 0 228.251 2.830 50 0 BFAARN C=CC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000848979431 588422382 /nfs/dbraw/zinc/42/23/82/588422382.db2.gz WMKVOZSWMDJNSZ-CMPLNLGQSA-N 0 0 233.286 2.716 50 0 BFAARN C=CC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000848979368 588423201 /nfs/dbraw/zinc/42/32/01/588423201.db2.gz UWLYIAXYDUIRMM-GFCCVEGCSA-N 0 0 219.259 2.675 50 0 BFAARN CCc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000863967092 589329360 /nfs/dbraw/zinc/32/93/60/589329360.db2.gz ABUICAADZWJKOM-UHFFFAOYSA-N 0 0 227.311 2.844 50 0 BFAARN C=CC(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000863970995 589330284 /nfs/dbraw/zinc/33/02/84/589330284.db2.gz ACJFWIWYCLHAKV-AWEZNQCLSA-N 0 0 241.334 2.969 50 0 BFAARN C=CC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000863971436 589330741 /nfs/dbraw/zinc/33/07/41/589330741.db2.gz TUAAYBWBFLUPRK-GFCCVEGCSA-N 0 0 249.285 2.684 50 0 BFAARN CCc1csc(NC(=O)/C=C\c2ccco2)n1 ZINC000209847144 590713287 /nfs/dbraw/zinc/71/32/87/590713287.db2.gz IPOLPGWGOBJOAF-WAYWQWQTSA-N 0 0 248.307 2.950 50 0 BFAARN Nc1cccc(Br)c1OCC1CC1 ZINC000133347125 591787583 /nfs/dbraw/zinc/78/75/83/591787583.db2.gz BPNGBUWBJXRKRQ-UHFFFAOYSA-N 0 0 242.116 2.820 50 0 BFAARN O=C(OCc1c(F)cccc1F)c1cccnc1 ZINC000097049139 631244252 /nfs/dbraw/zinc/24/42/52/631244252.db2.gz MFBWYLMYFBKGGH-UHFFFAOYSA-N 0 0 249.216 2.717 50 0 BFAARN COc1ccc(-c2ccnn2C(C)C)c(OC)n1 ZINC000426575109 635732347 /nfs/dbraw/zinc/73/23/47/635732347.db2.gz YMKRQULJWMTHNG-UHFFFAOYSA-N 0 0 247.298 2.543 50 0 BFAARN CC(C)(C)[C@]12C=C[C@@]1(C(C)(C)C)[C@](C)(O)C2=O ZINC000257371674 635741935 /nfs/dbraw/zinc/74/19/35/635741935.db2.gz PGVKVVAMESVVFG-RBSFLKMASA-N 0 0 236.355 2.955 50 0 BFAARN C[C@H](CCc1ccc(O)cc1)NN1CCCCC1 ZINC000023282485 632778946 /nfs/dbraw/zinc/77/89/46/632778946.db2.gz ZSKXVNJNYHKUOH-CYBMUJFWSA-N 0 0 248.370 2.704 50 0 BFAARN CCCCc1cc(C[NH+]2CCCCC2)[nH]n1 ZINC000004005487 633909685 /nfs/dbraw/zinc/90/96/85/633909685.db2.gz ZHTGLWGMZXMZRN-UHFFFAOYSA-N 0 0 221.348 2.738 50 0 BFAARN COc1ncccc1-c1ccc2n[nH]cc2c1 ZINC000067872649 635194239 /nfs/dbraw/zinc/19/42/39/635194239.db2.gz HZQLANRPROBKLJ-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN C=CC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000888093346 635364903 /nfs/dbraw/zinc/36/49/03/635364903.db2.gz IMMXQUSJBVNLBI-IINYFYTJSA-N 0 0 233.286 2.921 50 0 BFAARN Clc1cc(OC2CCCCC2)ncn1 ZINC000048630948 635878144 /nfs/dbraw/zinc/87/81/44/635878144.db2.gz RZESALIAYGLOID-UHFFFAOYSA-N 0 0 212.680 2.842 50 0 BFAARN Cc1ccc(O)c(-c2nc3c(cccc3C)[nH]2)n1 ZINC000055244574 640449551 /nfs/dbraw/zinc/44/95/51/640449551.db2.gz UOXZEJSGFIRPHQ-UHFFFAOYSA-N 0 0 239.278 2.947 50 0 BFAARN O=C1CC[C@]2(c3ccccc3)CCCC[C@@H]2N1 ZINC000022339819 641203610 /nfs/dbraw/zinc/20/36/10/641203610.db2.gz XYFGEZKHSOPVRG-ZFWWWQNUSA-N 0 0 229.323 2.777 50 0 BFAARN CCN(CC)C(=O)c1ccc(-c2ccncc2)o1 ZINC000032498428 641330232 /nfs/dbraw/zinc/33/02/32/641330232.db2.gz PRQPMVWBQUVZPU-UHFFFAOYSA-N 0 0 244.294 2.824 50 0 BFAARN CC(=O)c1cccc(-c2cccc(N)n2)c1 ZINC000032592957 641397735 /nfs/dbraw/zinc/39/77/35/641397735.db2.gz YGWXZPJRSYZWMG-UHFFFAOYSA-N 0 0 212.252 2.533 50 0 BFAARN O=Cc1ccc(-c2ccncc2F)cc1F ZINC000157501109 641619999 /nfs/dbraw/zinc/61/99/99/641619999.db2.gz JQBYDQVPGDZVIR-UHFFFAOYSA-N 0 0 219.190 2.839 50 0 BFAARN O=C1CCOc2ccc(C(F)(F)F)cc21 ZINC000075882196 641779294 /nfs/dbraw/zinc/77/92/94/641779294.db2.gz JHBAJYJJIHZGDP-UHFFFAOYSA-N 0 0 216.158 2.671 50 0 BFAARN O[C@@H]1c2ccccc2Nc2ccccc2[C@@H]1O ZINC000198495702 642505609 /nfs/dbraw/zinc/50/56/09/642505609.db2.gz HMSCHZCENLAZOX-OKILXGFUSA-N 0 0 227.263 2.511 50 0 BFAARN COc1ccc(N(N)Cc2ccccc2)cc1 ZINC000000294851 642764641 /nfs/dbraw/zinc/76/46/41/642764641.db2.gz GELRGGMHFAHZKK-UHFFFAOYSA-N 0 0 228.295 2.576 50 0 BFAARN C[C@H]1S[C@H](c2ccccc2Cl)NC1=O ZINC000000444571 642774853 /nfs/dbraw/zinc/77/48/53/642774853.db2.gz BYOSTEFUXFDWRR-LHLIQPBNSA-N 0 0 227.716 2.590 50 0 BFAARN CC1(C)C[C@H](C(=O)NC2CCCCC2)CCO1 ZINC000000520800 642790638 /nfs/dbraw/zinc/79/06/38/642790638.db2.gz ATIGWZIUOICJKZ-LLVKDONJSA-N 0 0 239.359 2.641 50 0 BFAARN Nc1nc(-c2ccccc2)cc(C(F)F)n1 ZINC000000758936 642803748 /nfs/dbraw/zinc/80/37/48/642803748.db2.gz DMVQYRSVYZGBTB-UHFFFAOYSA-N 0 0 221.210 2.663 50 0 BFAARN CNC(=O)OCCc1ccc(-c2ccccc2)o1 ZINC000000977886 642813220 /nfs/dbraw/zinc/81/32/20/642813220.db2.gz KDPXDLVLFPEBQG-UHFFFAOYSA-N 0 0 245.278 2.845 50 0 BFAARN CN(C[C@H]1CCCCO1)c1ccc2cc[nH]c2n1 ZINC000072149109 643217252 /nfs/dbraw/zinc/21/72/52/643217252.db2.gz JAAKXBBXTVGYCC-GFCCVEGCSA-N 0 0 245.326 2.568 50 0 BFAARN CCOCc1nc(C2(c3ccccc3)CC2)no1 ZINC000019143667 644011836 /nfs/dbraw/zinc/01/18/36/644011836.db2.gz DLXSOBVTLIWAAZ-UHFFFAOYSA-N 0 0 244.294 2.686 50 0 BFAARN Cc1ccc(F)c(CNc2nncn2C2CC2)c1 ZINC000922659315 644062098 /nfs/dbraw/zinc/06/20/98/644062098.db2.gz WKSYBSBTISATLC-UHFFFAOYSA-N 0 0 246.289 2.673 50 0 BFAARN COC(C)(C)CCC[C@@H](C)COC(C)=O ZINC000012383409 644135246 /nfs/dbraw/zinc/13/52/46/644135246.db2.gz LBMUSVGZWYAWPE-SNVBAGLBSA-N 0 0 216.321 2.781 50 0 BFAARN CCC[C@H](C(=O)Nc1cccnc1)n1cccc1 ZINC000952962975 644447035 /nfs/dbraw/zinc/44/70/35/644447035.db2.gz MWEGPVOWNRTWHC-CYBMUJFWSA-N 0 0 243.310 2.863 50 0 BFAARN CCOc1cc2ccccc2cc1C(=O)NC ZINC000032784539 644528413 /nfs/dbraw/zinc/52/84/13/644528413.db2.gz BWTDZAAFNWHDGR-UHFFFAOYSA-N 0 0 229.279 2.598 50 0 BFAARN CCCc1nn(C/C=C/c2ccccc2)c(=O)o1 ZINC000089960537 644574213 /nfs/dbraw/zinc/57/42/13/644574213.db2.gz UEHJTGXBHFHATA-UXBLZVDNSA-N 0 0 244.294 2.502 50 0 BFAARN Nc1nc2c(s1)C[C@@H]1CCCC[C@@H]1C2 ZINC000034617909 645606208 /nfs/dbraw/zinc/60/62/08/645606208.db2.gz JHUMDYXYRRVVRQ-SFYZADRCSA-N 0 0 208.330 2.630 50 0 BFAARN C[C@@H]1CCC(=O)C[C@H]1OCc1ccco1 ZINC000725359196 711663821 /nfs/dbraw/zinc/66/38/21/711663821.db2.gz CFXRZHPGMXGUEQ-BXKDBHETSA-N 0 0 208.257 2.554 50 0 BFAARN C[C@@H]1CCC(=O)C[C@H]1Oc1ccccc1 ZINC000725362986 711664260 /nfs/dbraw/zinc/66/42/60/711664260.db2.gz WKIIXDFFDFBOQZ-ZWNOBZJWSA-N 0 0 204.269 2.823 50 0 BFAARN CCCCS(=O)(=O)Nc1ccc(F)cc1F ZINC000006700018 711759626 /nfs/dbraw/zinc/75/96/26/711759626.db2.gz FCZVDXWMGVZJOC-UHFFFAOYSA-N 0 0 249.282 2.507 50 0 BFAARN FC(F)(F)c1ccnc(-c2cncnc2)c1 ZINC000065435556 712393052 /nfs/dbraw/zinc/39/30/52/712393052.db2.gz URBJTBQRPACVNU-UHFFFAOYSA-N 0 0 225.173 2.557 50 0 BFAARN CCC[C@H]1CCC(=O)C[C@@H]1n1cccn1 ZINC000725360899 711664525 /nfs/dbraw/zinc/66/45/25/711664525.db2.gz KXQOGFZWZWWHDL-JQWIXIFHSA-N 0 0 206.289 2.594 50 0 BFAARN CC(C)CCOc1nccc(Br)n1 ZINC000725345679 711925186 /nfs/dbraw/zinc/92/51/86/711925186.db2.gz WBUOQJROLABBDQ-UHFFFAOYSA-N 0 0 245.120 2.664 50 0 BFAARN C[C@]1(CNc2nccc3cccnc32)CCCO1 ZINC000716831832 712577686 /nfs/dbraw/zinc/57/76/86/712577686.db2.gz ALOSQCBBOTZGBV-CQSZACIVSA-N 0 0 243.310 2.611 50 0 BFAARN Cc1nc(-c2cc3c([nH]c2=O)[C@@H](C)CCC3)no1 ZINC000585120422 972151550 /nfs/dbraw/zinc/15/15/50/972151550.db2.gz MNXVPPYDLCWDJU-ZETCQYMHSA-N 0 0 245.282 2.585 50 0 BFAARN CC1=NO[C@H](c2nc(-c3ccc(C)cc3)no2)C1 ZINC000585133567 972169427 /nfs/dbraw/zinc/16/94/27/972169427.db2.gz MJBZXOZZVPKCKW-NSHDSACASA-N 0 0 243.266 2.882 50 0 BFAARN CC[C@@H](O)c1nccn1CC=C(Cl)Cl ZINC000844236508 957641415 /nfs/dbraw/zinc/64/14/15/957641415.db2.gz JSWOCROBVRGRCY-SSDOTTSWSA-N 0 0 235.114 2.646 50 0 BFAARN COCP(=O)(OC(C)C)OC(C)C ZINC000002831381 958883838 /nfs/dbraw/zinc/88/38/38/958883838.db2.gz CYRQIWJRFASKIN-UHFFFAOYSA-N 0 0 210.210 2.633 50 0 BFAARN Cc1cncc(/C=C\c2cc(O)cc(F)c2)n1 ZINC000588615176 959603904 /nfs/dbraw/zinc/60/39/04/959603904.db2.gz GHZLSSOLUWIZQO-IHWYPQMZSA-N 0 0 230.242 2.800 50 0 BFAARN Cc1nc(CNc2cc(C(C)C)ncn2)oc1C ZINC000226386007 961312070 /nfs/dbraw/zinc/31/20/70/961312070.db2.gz DXKNFNYVORSRLF-UHFFFAOYSA-N 0 0 246.314 2.817 50 0 BFAARN Fc1ccnc(F)c1/C=C/Br ZINC000685964367 961718839 /nfs/dbraw/zinc/71/88/39/961718839.db2.gz CGVSYXMJXIFIDI-HNQUOIGGSA-N 0 0 220.016 2.725 50 0 BFAARN CC(C)(CO)CSc1cccc(O)c1 ZINC000585118788 961858914 /nfs/dbraw/zinc/85/89/14/961858914.db2.gz BTFBCTXVCMDRFS-UHFFFAOYSA-N 0 0 212.314 2.503 50 0 BFAARN FC1(F)CCN(Cc2ccnc(Cl)c2)C1 ZINC000307570618 963133898 /nfs/dbraw/zinc/13/38/98/963133898.db2.gz CCHHCJMDBFCSEO-UHFFFAOYSA-N 0 0 232.661 2.576 50 0 BFAARN Cc1csc(CN(C)Cc2cccnc2C)n1 ZINC000093336477 964105232 /nfs/dbraw/zinc/10/52/32/964105232.db2.gz WSCIISLQWYDZAZ-UHFFFAOYSA-N 0 0 247.367 2.787 50 0 BFAARN CNc1ccnc(NC[C@H]2CC23CCCCC3)n1 ZINC000824084023 968573386 /nfs/dbraw/zinc/57/33/86/968573386.db2.gz NQQIPWXWVVYDSN-LLVKDONJSA-N 0 0 246.358 2.901 50 0 BFAARN CSc1nc2ccccc2c(=O)n1CC1CC1 ZINC000824954798 968625854 /nfs/dbraw/zinc/62/58/54/968625854.db2.gz MTUQZSWKCLUFKT-UHFFFAOYSA-N 0 0 246.335 2.528 50 0 BFAARN C[C@@H](NC(=O)Cc1ccncc1)C1=CCCCC1 ZINC000827989683 968739077 /nfs/dbraw/zinc/73/90/77/968739077.db2.gz USIBYQXXYGKJFY-GFCCVEGCSA-N 0 0 244.338 2.629 50 0 BFAARN Cc1ccc([C@H](C)Nc2nc(C)cnc2C)cn1 ZINC000200550511 970124912 /nfs/dbraw/zinc/12/49/12/970124912.db2.gz PFCSMIXQHJSRHW-NSHDSACASA-N 0 0 242.326 2.970 50 0 BFAARN Cc1c(Cl)cccc1N[C@H]1CC[C@@H]1O ZINC000585298784 973913494 /nfs/dbraw/zinc/91/34/94/973913494.db2.gz HCWNHESFOLHZHO-QWRGUYRKSA-N 0 0 211.692 2.584 50 0 BFAARN Fc1cnc(O[C@@H]2CCc3ccccc32)nc1 ZINC000585651079 973915750 /nfs/dbraw/zinc/91/57/50/973915750.db2.gz KALGQPGNPIOTAV-GFCCVEGCSA-N 0 0 230.242 2.682 50 0 BFAARN Cc1ccsc1COc1ncc(F)cn1 ZINC000585650813 973916389 /nfs/dbraw/zinc/91/63/89/973916389.db2.gz FUZSQXNALNAAFH-UHFFFAOYSA-N 0 0 224.260 2.565 50 0 BFAARN c1ccc2nc(O[C@@H]3CCSC3)cnc2c1 ZINC000585652137 973919694 /nfs/dbraw/zinc/91/96/94/973919694.db2.gz LCYJNDNHLSEKDO-SECBINFHSA-N 0 0 232.308 2.514 50 0 BFAARN c1nc(C2(NCC3CCCCCC3)CC2)no1 ZINC000952879590 974054544 /nfs/dbraw/zinc/05/45/44/974054544.db2.gz JTXGYABEDHTUSV-UHFFFAOYSA-N 0 0 235.331 2.619 50 0 BFAARN CC(C)c1noc(-c2n[nH]cc2C(F)(F)F)n1 ZINC000952876723 974056805 /nfs/dbraw/zinc/05/68/05/974056805.db2.gz VGOFZISCSTYJLX-UHFFFAOYSA-N 0 0 246.192 2.602 50 0 BFAARN CCn1nc(CC(C)C)nc1-c1ccc(C)n1C ZINC000952873700 974059236 /nfs/dbraw/zinc/05/92/36/974059236.db2.gz YJOITJJWZWRIGW-UHFFFAOYSA-N 0 0 246.358 2.810 50 0 BFAARN C=CC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000952888245 974065693 /nfs/dbraw/zinc/06/56/93/974065693.db2.gz PKWHJNNNWRYYJW-WCQYABFASA-N 0 0 215.296 2.577 50 0 BFAARN C=CC(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000952888244 974068318 /nfs/dbraw/zinc/06/83/18/974068318.db2.gz PKWHJNNNWRYYJW-DGCLKSJQSA-N 0 0 215.296 2.577 50 0 BFAARN COc1ccc(-c2c(C)nn3c2NCCC3)cc1 ZINC001506416161 988780586 /nfs/dbraw/zinc/78/05/86/988780586.db2.gz IYPLXFIMDBREMO-UHFFFAOYSA-N 0 0 243.310 2.683 50 0 BFAARN Cn1nccc1-c1cc(F)cc2cccnc21 ZINC001506420955 988782057 /nfs/dbraw/zinc/78/20/57/988782057.db2.gz CKJJGTOHUWLXRI-UHFFFAOYSA-N 0 0 227.242 2.774 50 0 BFAARN CO[C@@H](C)c1ccc(-c2cc(=O)[nH]cn2)cc1 ZINC001506420204 988782155 /nfs/dbraw/zinc/78/21/55/988782155.db2.gz YEPGEMHYNZGSDG-VIFPVBQESA-N 0 0 230.267 2.557 50 0 BFAARN Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCCC2)c1 ZINC000008498347 177914000 /nfs/dbraw/zinc/91/40/00/177914000.db2.gz ZXCRLMXPMNIHHL-ZDUSSCGKSA-N 0 0 247.338 2.693 50 0 BFAARN Cc1cc(C2CCC2)nc(NCCCCCO)n1 ZINC000071405729 177950053 /nfs/dbraw/zinc/95/00/53/177950053.db2.gz XIXCCYDVQCTKGE-UHFFFAOYSA-N 0 0 249.358 2.627 50 0 BFAARN Cc1cc(CN(C)OCc2ccccc2)no1 ZINC000095435066 177974267 /nfs/dbraw/zinc/97/42/67/177974267.db2.gz RXHJIWLTAQOTHU-UHFFFAOYSA-N 0 0 232.283 2.547 50 0 BFAARN COCc1nc2ccccc2n1CC(C)C ZINC000001926900 398146011 /nfs/dbraw/zinc/14/60/11/398146011.db2.gz AFEMVFUOYCHITL-UHFFFAOYSA-N 0 0 218.300 2.839 50 0 BFAARN CC1(C)CNC(=O)N1Cc1ccc(Cl)cc1 ZINC000072319852 343979564 /nfs/dbraw/zinc/97/95/64/343979564.db2.gz XUDCGBBALDNPIO-UHFFFAOYSA-N 0 0 238.718 2.644 50 0 BFAARN Cc1cc(CN2CCc3sccc3C2)on1 ZINC000040487672 178003805 /nfs/dbraw/zinc/00/38/05/178003805.db2.gz DFUPPAGRSQMHPT-UHFFFAOYSA-N 0 0 234.324 2.603 50 0 BFAARN FC(F)c1nnc(N[C@@H]2CC=CCC2)o1 ZINC000292555464 398173396 /nfs/dbraw/zinc/17/33/96/398173396.db2.gz RWHDWDIYVGBEPX-ZCFIWIBFSA-N 0 0 215.203 2.528 50 0 BFAARN Cc1cc(CNc2ccccc2C)on1 ZINC000064556200 178044907 /nfs/dbraw/zinc/04/49/07/178044907.db2.gz PAXHLKVQGGULMN-UHFFFAOYSA-N 0 0 202.257 2.904 50 0 BFAARN Cc1cc(CSCc2ccccn2)on1 ZINC000096494680 178052346 /nfs/dbraw/zinc/05/23/46/178052346.db2.gz PBAKITXJCXDIJF-UHFFFAOYSA-N 0 0 220.297 2.811 50 0 BFAARN Cc1cc(CSCc2cc(C)on2)no1 ZINC000072230526 178052393 /nfs/dbraw/zinc/05/23/93/178052393.db2.gz UPJMWFOBPUGFBL-UHFFFAOYSA-N 0 0 224.285 2.713 50 0 BFAARN Cc1cc(Cl)c(Br)cn1 ZINC000021982018 178059863 /nfs/dbraw/zinc/05/98/63/178059863.db2.gz HQIJNBFVJKFOAS-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN Cc1cc(F)c(Br)cc1O ZINC000098210755 178074150 /nfs/dbraw/zinc/07/41/50/178074150.db2.gz NOJDAPWTVVCMGC-UHFFFAOYSA-N 0 0 205.026 2.602 50 0 BFAARN Cc1cc(N)c(Br)cc1C ZINC000000397568 178101539 /nfs/dbraw/zinc/10/15/39/178101539.db2.gz AFGDDVNXAPMUAQ-UHFFFAOYSA-N 0 0 200.079 2.648 50 0 BFAARN COC(=O)/C=C/c1ccc(C)c(Cl)c1 ZINC000072739257 343982029 /nfs/dbraw/zinc/98/20/29/343982029.db2.gz QMKJBUCGZTUFOP-AATRIKPKSA-N 0 0 210.660 2.835 50 0 BFAARN Cc1cc(NC(=O)/C=C/c2cccs2)no1 ZINC000000376631 178123305 /nfs/dbraw/zinc/12/33/05/178123305.db2.gz SDVGJCDEGVELKR-SNAWJCMRSA-N 0 0 234.280 2.696 50 0 BFAARN CCC(CC)C(=O)Nc1ccnc(C)c1 ZINC000074932063 168340759 /nfs/dbraw/zinc/34/07/59/168340759.db2.gz OIBARWAAHWJOMW-UHFFFAOYSA-N 0 0 206.289 2.765 50 0 BFAARN CCC(CC)C(=O)Nc1ccccc1O ZINC000000363840 168340874 /nfs/dbraw/zinc/34/08/74/168340874.db2.gz ZHIXKMXOQAKAKN-UHFFFAOYSA-N 0 0 207.273 2.767 50 0 BFAARN CCC[C@H]1CCN(N)[C@H]1c1cccc(OC)c1 ZINC000261361564 398207172 /nfs/dbraw/zinc/20/71/72/398207172.db2.gz WNHHXDQUSUDQGZ-SMDDNHRTSA-N 0 0 234.343 2.732 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)Nc2cc(C)on2)o1 ZINC000044889868 178140722 /nfs/dbraw/zinc/14/07/22/178140722.db2.gz LPPUBEMVYSAJPZ-VIFPVBQESA-N 0 0 249.270 2.767 50 0 BFAARN Cc1cc(NC(=O)OC(C)(C)C)ccc1N ZINC000002547917 178144467 /nfs/dbraw/zinc/14/44/67/178144467.db2.gz RGXHWTGFGABIQF-UHFFFAOYSA-N 0 0 222.288 2.924 50 0 BFAARN COc1ccc(-c2n[nH]c(C(C)C)n2)cc1C ZINC000426716178 398218691 /nfs/dbraw/zinc/21/86/91/398218691.db2.gz SPMOLSPFEWJKGM-UHFFFAOYSA-N 0 0 231.299 2.912 50 0 BFAARN Cc1cc(NC(=S)Nc2ccccc2)no1 ZINC000003212731 178153143 /nfs/dbraw/zinc/15/31/43/178153143.db2.gz CCYCCECFYOTLOA-UHFFFAOYSA-N 0 0 233.296 2.792 50 0 BFAARN Cc1cc(NC(=S)N(C)N)ccc1C(C)C ZINC000002543505 178153891 /nfs/dbraw/zinc/15/38/91/178153891.db2.gz UUYMACDXLGPOET-UHFFFAOYSA-N 0 0 237.372 2.621 50 0 BFAARN Cc1nccc(NC(=O)N[C@@H]2C[C@@H]2C)c1Cl ZINC000097096184 398225235 /nfs/dbraw/zinc/22/52/35/398225235.db2.gz JLSZEEULSNZDHA-IMTBSYHQSA-N 0 0 239.706 2.573 50 0 BFAARN Cc1nccc(NC(=O)N[C@H]2C[C@H]2C)c1Cl ZINC000097096188 398225385 /nfs/dbraw/zinc/22/53/85/398225385.db2.gz JLSZEEULSNZDHA-MUWHJKNJSA-N 0 0 239.706 2.573 50 0 BFAARN Cc1cc(NCc2ccncc2)nc(C2CC2)n1 ZINC000095416423 178174164 /nfs/dbraw/zinc/17/41/64/178174164.db2.gz GPYUUFZZIMFJRT-UHFFFAOYSA-N 0 0 240.310 2.670 50 0 BFAARN Cc1cc(Nc2ccc(N(C)C)cc2)ncn1 ZINC000011907836 178191864 /nfs/dbraw/zinc/19/18/64/178191864.db2.gz KUTLHDTYSNCEKO-UHFFFAOYSA-N 0 0 228.299 2.595 50 0 BFAARN Cc1cc(OC(=O)NC(C)C)ccc1F ZINC000091690258 178206671 /nfs/dbraw/zinc/20/66/71/178206671.db2.gz XNGBVPRUOMLOLY-UHFFFAOYSA-N 0 0 211.236 2.631 50 0 BFAARN Cc1cc(OCC(N)=O)c(C(C)C)cc1Cl ZINC000003217109 178209694 /nfs/dbraw/zinc/20/96/94/178209694.db2.gz BVMGWHWQGJTHRM-UHFFFAOYSA-N 0 0 241.718 2.636 50 0 BFAARN CC(C)NC(=O)N1CCn2cccc2[C@@H]1C(C)C ZINC000021051714 538933428 /nfs/dbraw/zinc/93/34/28/538933428.db2.gz LQJPHBCTEKHBAG-ZDUSSCGKSA-N 0 0 249.358 2.619 50 0 BFAARN CC[C@@H](C)[C@@H](C)Nc1ccc2c(c1)C(=O)NC2 ZINC000170592620 361762753 /nfs/dbraw/zinc/76/27/53/361762753.db2.gz YIQWXTNPQVPNDK-NXEZZACHSA-N 0 0 232.327 2.777 50 0 BFAARN Cc1ccc(NC(=O)C2=CSCCO2)cc1 ZINC000021163316 538934011 /nfs/dbraw/zinc/93/40/11/538934011.db2.gz WIMWSDFEKFBWCH-UHFFFAOYSA-N 0 0 235.308 2.538 50 0 BFAARN Cc1cc([C@@H]2CCCN2C(=O)C2CCCC2)no1 ZINC000044633341 178240836 /nfs/dbraw/zinc/24/08/36/178240836.db2.gz URKZETNUQLEQPP-ZDUSSCGKSA-N 0 0 248.326 2.837 50 0 BFAARN Cc1ccc(C)c(NC(=O)Nc2ncco2)c1 ZINC000170604550 361791926 /nfs/dbraw/zinc/79/19/26/361791926.db2.gz MUAWDXYQHQTVAO-UHFFFAOYSA-N 0 0 231.255 2.935 50 0 BFAARN Cc1cc2c(nc(Cl)nc2Cl)[nH]1 ZINC000059268664 178278506 /nfs/dbraw/zinc/27/85/06/178278506.db2.gz QOEYSTWXKJBVQE-UHFFFAOYSA-N 0 0 202.044 2.573 50 0 BFAARN Cc1cc2ccccc2n1CCNC(=O)C(C)C ZINC000000427899 178297390 /nfs/dbraw/zinc/29/73/90/178297390.db2.gz IQUZNPSLIKHYMV-UHFFFAOYSA-N 0 0 244.338 2.722 50 0 BFAARN Cc1cc2nccnc2cc1Br ZINC000167479782 178305769 /nfs/dbraw/zinc/30/57/69/178305769.db2.gz HOEDWTAFUPBYQH-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN Cc1cc2cc(CNC(=O)C(C)C)ccc2n1C ZINC000004061454 178294478 /nfs/dbraw/zinc/29/44/78/178294478.db2.gz PIMOQIDWTOHMJO-UHFFFAOYSA-N 0 0 244.338 2.759 50 0 BFAARN C[C@@H](NC(=O)/C=C\c1cccc(F)c1)C1CC1 ZINC000096904812 398250375 /nfs/dbraw/zinc/25/03/75/398250375.db2.gz CMDPYFDXJATNOQ-DAGBOUIGSA-N 0 0 233.286 2.754 50 0 BFAARN Cc1ccc(-c2n[nH]cc2C=O)cc1C ZINC000004237546 178315616 /nfs/dbraw/zinc/31/56/16/178315616.db2.gz BGDVYQOYEPSTDI-UHFFFAOYSA-N 0 0 200.241 2.506 50 0 BFAARN Cc1sc(N)c(C(N)=O)c1-c1ccc(C)cc1 ZINC000002597435 178318240 /nfs/dbraw/zinc/31/82/40/178318240.db2.gz CIWIUBJZKACEOO-UHFFFAOYSA-N 0 0 246.335 2.713 50 0 BFAARN Cc1ccc(-c2cc3nc(C)cc(N)n3n2)cc1 ZINC000000208677 178321348 /nfs/dbraw/zinc/32/13/48/178321348.db2.gz HKEXOIWRQUNRSQ-UHFFFAOYSA-N 0 0 238.294 2.595 50 0 BFAARN Cc1ccc(-c2cc3[nH]c(C)cc(=O)n3n2)cc1 ZINC000100519123 178321641 /nfs/dbraw/zinc/32/16/41/178321641.db2.gz BHMOTKKERMVQDL-UHFFFAOYSA-N 0 0 239.278 2.719 50 0 BFAARN CCC(CC)N(C)C(=O)c1ccc(Cl)nc1 ZINC000035208007 168367513 /nfs/dbraw/zinc/36/75/13/168367513.db2.gz APHMZJQSYFGKOM-UHFFFAOYSA-N 0 0 240.734 2.996 50 0 BFAARN Cc1ccc(C2N=NC(=S)O2)c(C)c1 ZINC000034074908 178340795 /nfs/dbraw/zinc/34/07/95/178340795.db2.gz WNKQDBOCGWQUQA-UHFFFAOYSA-N 0 0 206.270 2.642 50 0 BFAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1N ZINC000015554273 178341866 /nfs/dbraw/zinc/34/18/66/178341866.db2.gz VYMNFXLUICXQFP-UHFFFAOYSA-N 0 0 242.326 2.562 50 0 BFAARN Cc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC000002481052 178343295 /nfs/dbraw/zinc/34/32/95/178343295.db2.gz NDCJFVXDFYVRNH-LLVKDONJSA-N 0 0 230.267 2.897 50 0 BFAARN Cc1cnc(C(=O)N(C)C2CCCCCC2)cn1 ZINC000032857951 259311342 /nfs/dbraw/zinc/31/13/42/259311342.db2.gz KJRVDJFCVDGLEY-UHFFFAOYSA-N 0 0 247.342 2.580 50 0 BFAARN Cc1ccc(-c2csc(N)n2)cc1F ZINC000072312167 178330538 /nfs/dbraw/zinc/33/05/38/178330538.db2.gz GMCAUVNWNGNJJJ-UHFFFAOYSA-N 0 0 208.261 2.840 50 0 BFAARN Cc1ccc(-c2csc3nc(N)nn23)c(C)c1 ZINC000031891219 178330982 /nfs/dbraw/zinc/33/09/82/178330982.db2.gz XGEJMRPHLOZLDD-UHFFFAOYSA-N 0 0 244.323 2.657 50 0 BFAARN Cc1ccc(/C=C\C(=O)O[C@H]2CCCCC2=O)o1 ZINC000006812500 178357695 /nfs/dbraw/zinc/35/76/95/178357695.db2.gz UFEPNFIFLMIIJK-YXVBKTCISA-N 0 0 248.278 2.656 50 0 BFAARN CCOc1cc(=O)oc2cc(C)ccc12 ZINC000000058024 343997740 /nfs/dbraw/zinc/99/77/40/343997740.db2.gz UQNGBKYOCBSSOA-UHFFFAOYSA-N 0 0 204.225 2.500 50 0 BFAARN Cc1ccc(/C=C/C(=O)O[C@@H]2CCCCC2=O)o1 ZINC000003361883 178354688 /nfs/dbraw/zinc/35/46/88/178354688.db2.gz UFEPNFIFLMIIJK-MMQHEFTJSA-N 0 0 248.278 2.656 50 0 BFAARN Cc1ccc2nc(C)cc(C(=O)N(C)C)c2c1 ZINC000032719951 538950647 /nfs/dbraw/zinc/95/06/47/538950647.db2.gz GHWHTTYISMPFAS-UHFFFAOYSA-N 0 0 228.295 2.553 50 0 BFAARN C[C@@H](CC(=O)N1CCCCCCC1)n1ccnc1 ZINC000032720225 538950671 /nfs/dbraw/zinc/95/06/71/538950671.db2.gz WBJVMTLTVOETSZ-ZDUSSCGKSA-N 0 0 249.358 2.627 50 0 BFAARN C[C@@H](NC(=O)C1CCC1)c1cccc(F)c1 ZINC000032983560 538951082 /nfs/dbraw/zinc/95/10/82/538951082.db2.gz DZZNHPJJKZHHTF-SECBINFHSA-N 0 0 221.275 2.803 50 0 BFAARN C[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccccc1F ZINC000032983395 538951117 /nfs/dbraw/zinc/95/11/17/538951117.db2.gz XNYJBCQPDXPRNK-YWVKMMECSA-N 0 0 221.275 2.659 50 0 BFAARN CC(C)(C)SCC(=O)N1CCCCCC1 ZINC000033018910 538951145 /nfs/dbraw/zinc/95/11/45/538951145.db2.gz QXJWIZRMBJLOLQ-UHFFFAOYSA-N 0 0 229.389 2.921 50 0 BFAARN C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccccc1F ZINC000032983400 538951303 /nfs/dbraw/zinc/95/13/03/538951303.db2.gz XNYJBCQPDXPRNK-ATZCPNFKSA-N 0 0 221.275 2.659 50 0 BFAARN Cc1ccc(C(=O)N(C)[C@H](C)C2CC2)cc1 ZINC000012973468 178380520 /nfs/dbraw/zinc/38/05/20/178380520.db2.gz IPDRSDILWGRCHI-LLVKDONJSA-N 0 0 217.312 2.866 50 0 BFAARN Cc1nc(NC(=O)c2cccc(F)c2)oc1C ZINC000032902595 538951379 /nfs/dbraw/zinc/95/13/79/538951379.db2.gz WORVPIZJVMTFLG-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN Cc1ccc(C(=O)N2CCCC2)c(C)c1 ZINC000000514591 178386380 /nfs/dbraw/zinc/38/63/80/178386380.db2.gz SJTXPWZNRVJPFA-UHFFFAOYSA-N 0 0 203.285 2.539 50 0 BFAARN Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)cn1 ZINC000089652186 178390467 /nfs/dbraw/zinc/39/04/67/178390467.db2.gz ACQBUCQOLVGCQZ-TZMCWYRMSA-N 0 0 244.338 2.795 50 0 BFAARN COC(=O)c1ccccc1Oc1ccncc1 ZINC000044857420 346831473 /nfs/dbraw/zinc/83/14/73/346831473.db2.gz CTPSIEYPELUXRU-UHFFFAOYSA-N 0 0 229.235 2.661 50 0 biogenic BFAARN Cc1ccc(C(=O)NC2CCCCCC2)cn1 ZINC000022409805 178402835 /nfs/dbraw/zinc/40/28/35/178402835.db2.gz SYJSFHKDWMZCCP-UHFFFAOYSA-N 0 0 232.327 2.843 50 0 BFAARN Cc1ccc(C(=O)NCc2ccco2)cc1F ZINC000007752572 178417618 /nfs/dbraw/zinc/41/76/18/178417618.db2.gz FOTMJUBMWQRRJK-UHFFFAOYSA-N 0 0 233.242 2.657 50 0 BFAARN Cc1cnc(NC(=O)Nc2ccccc2)c(C)n1 ZINC000000093257 342674136 /nfs/dbraw/zinc/67/41/36/342674136.db2.gz WLGJZNDCVPNRJW-UHFFFAOYSA-N 0 0 242.282 2.737 50 0 BFAARN O=C(Sc1ccccc1)c1cccc(=O)o1 ZINC000000107433 342674725 /nfs/dbraw/zinc/67/47/25/342674725.db2.gz VQUVPPJFCVSLBS-UHFFFAOYSA-N 0 0 232.260 2.572 50 0 BFAARN O=c1cc(-c2cccnc2)oc2ccccc12 ZINC000000115155 342675063 /nfs/dbraw/zinc/67/50/63/342675063.db2.gz ACMZJMPKGUUSOJ-UHFFFAOYSA-N 0 0 223.231 2.855 50 0 BFAARN CCOc1ccccc1NC(=O)c1ccncc1 ZINC000000119465 342675356 /nfs/dbraw/zinc/67/53/56/342675356.db2.gz YFBPPTLVICQMII-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN Cc1cc(C)cc(NC(=O)c2ccncc2)c1 ZINC000000119452 342675386 /nfs/dbraw/zinc/67/53/86/342675386.db2.gz XTABRQYWLYWIDI-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Nc1ccc(O)c(-c2nc3ccccc3o2)c1 ZINC000000125049 342675720 /nfs/dbraw/zinc/67/57/20/342675720.db2.gz JVPMCQUVQZEYKJ-UHFFFAOYSA-N 0 0 226.235 2.783 50 0 biogenic BFAARN CSc1scc2c1-c1n[nH]cc1CC2 ZINC000000125935 342676125 /nfs/dbraw/zinc/67/61/25/342676125.db2.gz OILQEIUFSWUSBE-UHFFFAOYSA-N 0 0 222.338 2.959 50 0 BFAARN O=C(c1cccs1)[C@H](O)c1cccs1 ZINC000000132537 342676493 /nfs/dbraw/zinc/67/64/93/342676493.db2.gz OGWZIOZTPNLTCR-SECBINFHSA-N 0 0 224.306 2.726 50 0 BFAARN O=C(Oc1cccnc1)c1c(F)cccc1F ZINC000000138660 342676839 /nfs/dbraw/zinc/67/68/39/342676839.db2.gz HHQTXLXLLZMLPU-UHFFFAOYSA-N 0 0 235.189 2.579 50 0 BFAARN CC(C)(C)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000000142214 342677010 /nfs/dbraw/zinc/67/70/10/342677010.db2.gz BUTNBGSCYPAOMS-SSDOTTSWSA-N 0 0 238.158 2.733 50 0 BFAARN C[C@@H](C(=O)Nc1ccccn1)c1ccccc1 ZINC000000142450 342677017 /nfs/dbraw/zinc/67/70/17/342677017.db2.gz LHPOUVZZNFLHER-LLVKDONJSA-N 0 0 226.279 2.824 50 0 BFAARN O=C(c1ccc(O)cc1)c1ccc(F)cc1 ZINC000000154654 342677634 /nfs/dbraw/zinc/67/76/34/342677634.db2.gz HLRVUOFDBXRZBI-UHFFFAOYSA-N 0 0 216.211 2.762 50 0 biogenic BFAARN CC(C)(C)OC(=O)NOCc1ccccc1 ZINC000000155937 342677665 /nfs/dbraw/zinc/67/76/65/342677665.db2.gz MZNBNPWFHGWAGH-UHFFFAOYSA-N 0 0 223.272 2.643 50 0 BFAARN COC(=O)C(c1ccccc1)c1ccccc1 ZINC000000155335 342677731 /nfs/dbraw/zinc/67/77/31/342677731.db2.gz AORIUCNKPVHMTN-UHFFFAOYSA-N 0 0 226.275 2.992 50 0 biogenic BFAARN Cc1cc(C)nc(Sc2ccc(N)cc2)n1 ZINC000000154221 342677783 /nfs/dbraw/zinc/67/77/83/342677783.db2.gz FPLNYQRUEFPJPX-UHFFFAOYSA-N 0 0 231.324 2.827 50 0 BFAARN NNc1cc(C(F)(F)F)nc2ccccc21 ZINC000000161406 342678336 /nfs/dbraw/zinc/67/83/36/342678336.db2.gz UDBNRPMWZIXBNA-UHFFFAOYSA-N 0 0 227.189 2.539 50 0 BFAARN Nc1ccc(Cl)cc1C(=O)c1cccc(O)c1 ZINC000000163506 342678652 /nfs/dbraw/zinc/67/86/52/342678652.db2.gz QNYBTFDZVVAFOA-UHFFFAOYSA-N 0 0 247.681 2.859 50 0 BFAARN Nc1ccccc1CCc1ccccc1N ZINC000000243037 342681108 /nfs/dbraw/zinc/68/11/08/342681108.db2.gz ZYHQGITXIJDDKC-UHFFFAOYSA-N 0 0 212.296 2.636 50 0 BFAARN Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000000240592 342681163 /nfs/dbraw/zinc/68/11/63/342681163.db2.gz ASDNYPJFMDMYPQ-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000000281589 342682077 /nfs/dbraw/zinc/68/20/77/342682077.db2.gz ZYJTZRHZTQZSNP-UHFFFAOYSA-N 0 0 201.225 2.840 50 0 BFAARN CCOc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000000288456 342682289 /nfs/dbraw/zinc/68/22/89/342682289.db2.gz QMWNCXWMWTUVJK-UHFFFAOYSA-N 0 0 221.300 2.614 50 0 BFAARN Cc1c(C=O)c(C=O)c(C)n1Cc1ccccc1 ZINC000000307524 342682897 /nfs/dbraw/zinc/68/28/97/342682897.db2.gz RECJWNWZVDPHTR-UHFFFAOYSA-N 0 0 241.290 2.778 50 0 BFAARN CC(C)(C)NC(=O)c1ccc(Br)o1 ZINC000000353618 342684685 /nfs/dbraw/zinc/68/46/85/342684685.db2.gz WXIZGHGFAMCKTD-UHFFFAOYSA-N 0 0 246.104 2.570 50 0 BFAARN Cc1ccc2cc(CO)c(Cl)nc2c1 ZINC000000349863 342684688 /nfs/dbraw/zinc/68/46/88/342684688.db2.gz ZULSNMQBGIVMGC-UHFFFAOYSA-N 0 0 207.660 2.689 50 0 BFAARN CCS(=O)(=O)Nc1ccc2ccccc2c1 ZINC000000362890 342684894 /nfs/dbraw/zinc/68/48/94/342684894.db2.gz QQFCNPAZEFLCMV-UHFFFAOYSA-N 0 0 235.308 2.601 50 0 BFAARN O=C(CCc1ccccc1)Nc1ccccc1O ZINC000000362826 342684955 /nfs/dbraw/zinc/68/49/55/342684955.db2.gz QQGJTQIOLXPXMV-UHFFFAOYSA-N 0 0 241.290 2.964 50 0 BFAARN COC(=O)c1ccccc1OC(=O)C1CCCC1 ZINC000000363971 342685160 /nfs/dbraw/zinc/68/51/60/342685160.db2.gz MWQOGDDFCCNUQR-UHFFFAOYSA-N 0 0 248.278 2.569 50 0 BFAARN Nc1ccccc1Oc1ccccc1N ZINC000000403184 342686706 /nfs/dbraw/zinc/68/67/06/342686706.db2.gz GOJFAKBEASOYNM-UHFFFAOYSA-N 0 0 200.241 2.643 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2ccccc21 ZINC000000403317 342686766 /nfs/dbraw/zinc/68/67/66/342686766.db2.gz GWAXLDLPPZPQLO-UHFFFAOYSA-N 0 0 219.284 2.984 50 0 BFAARN Fc1ccc(F)c(I)c1 ZINC000000404217 342686821 /nfs/dbraw/zinc/68/68/21/342686821.db2.gz WBYVNDUCUMNZPM-UHFFFAOYSA-N 0 0 239.990 2.569 50 0 BFAARN Cc1oc2ccccc2c(=O)c1Br ZINC000000408162 342686992 /nfs/dbraw/zinc/68/69/92/342686992.db2.gz FDWRTQHFRUGBHY-UHFFFAOYSA-N 0 0 239.068 2.864 50 0 BFAARN O=C(CCC1CCCC1)Nc1ccncc1 ZINC000000461748 342688113 /nfs/dbraw/zinc/68/81/13/342688113.db2.gz QTRRWNQGJNIYOB-UHFFFAOYSA-N 0 0 218.300 2.991 50 0 BFAARN CCOc1c(Cl)cc(CO)cc1Cl ZINC000000479296 342688507 /nfs/dbraw/zinc/68/85/07/342688507.db2.gz ZLOSOAGZOREYTI-UHFFFAOYSA-N 0 0 221.083 2.884 50 0 BFAARN C[C@H](CO)Oc1ccc2ccccc2c1 ZINC000000480895 342688518 /nfs/dbraw/zinc/68/85/18/342688518.db2.gz MIOCXGZKIFRNRK-SNVBAGLBSA-N 0 0 202.253 2.599 50 0 BFAARN Cc1ccc(CNC(=O)CC(C)C)cc1 ZINC000000030725 342670452 /nfs/dbraw/zinc/67/04/52/342670452.db2.gz UXUOVEDGHBFCPN-UHFFFAOYSA-N 0 0 205.301 2.657 50 0 BFAARN Cc1cc(N)cc(NC(=O)OC(C)(C)C)c1 ZINC000143567251 361831591 /nfs/dbraw/zinc/83/15/91/361831591.db2.gz OLXCEFTWYYHFNJ-UHFFFAOYSA-N 0 0 222.288 2.924 50 0 BFAARN Cc1ccc(NC(=O)C(F)(F)F)cc1C ZINC000000038843 342670749 /nfs/dbraw/zinc/67/07/49/342670749.db2.gz FIUPCIWUFSPNFU-UHFFFAOYSA-N 0 0 217.190 2.804 50 0 BFAARN CCOc1ccc(C2=CSC3=NCCN23)cc1 ZINC000000054421 342671567 /nfs/dbraw/zinc/67/15/67/342671567.db2.gz VASVSOBQTRKFFH-UHFFFAOYSA-N 0 0 246.335 2.802 50 0 BFAARN COC(=O)CCC(=O)c1cc2ccccc2o1 ZINC000000052314 342671737 /nfs/dbraw/zinc/67/17/37/342671737.db2.gz BWMLPJNDFRIQHE-UHFFFAOYSA-N 0 0 232.235 2.569 50 0 BFAARN CCOc1cc2oc(=O)cc(C)c2cc1OCC ZINC000000058068 342672041 /nfs/dbraw/zinc/67/20/41/342672041.db2.gz BVALWPRSDDHKIU-UHFFFAOYSA-N 0 0 248.278 2.899 50 0 biogenic BFAARN Cc1ccc(CC(=O)NC2CCCCC2)cc1 ZINC000000578070 342690754 /nfs/dbraw/zinc/69/07/54/342690754.db2.gz XVRYRDIRPVSKPN-UHFFFAOYSA-N 0 0 231.339 2.986 50 0 BFAARN CC[C@@H](C)NC(=O)c1ccccc1SC ZINC000000614777 342690957 /nfs/dbraw/zinc/69/09/57/342690957.db2.gz BFJHOMADUJGBRP-SECBINFHSA-N 0 0 223.341 2.937 50 0 BFAARN Cc1c(O)ccc2c3c(c(=O)oc12)CC[C@H](C)C3 ZINC000000616391 342691105 /nfs/dbraw/zinc/69/11/05/342691105.db2.gz GOVCMCBRRHXKQX-QMMMGPOBSA-N 0 0 244.290 2.932 50 0 BFAARN Fc1ccc(NCc2cccnc2)cc1 ZINC000000806051 342692942 /nfs/dbraw/zinc/69/29/42/342692942.db2.gz ACUPPIKXBQWISN-UHFFFAOYSA-N 0 0 202.232 2.833 50 0 BFAARN Nc1ccc2c(c1)ncn2Cc1ccccc1 ZINC000000808029 342693107 /nfs/dbraw/zinc/69/31/07/342693107.db2.gz FCQCJIKCEPOTMJ-UHFFFAOYSA-N 0 0 223.279 2.667 50 0 BFAARN CSc1cccc(N2C(=O)CSC2=O)c1 ZINC000001045736 342696032 /nfs/dbraw/zinc/69/60/32/342696032.db2.gz TVMDHBGOAWYHGQ-UHFFFAOYSA-N 0 0 239.321 2.608 50 0 BFAARN Cc1cc(C(=O)NCc2ccco2)cs1 ZINC000001054106 342696507 /nfs/dbraw/zinc/69/65/07/342696507.db2.gz BTSKZYGUYIHVCJ-UHFFFAOYSA-N 0 0 221.281 2.580 50 0 BFAARN Cc1cc(C)n(-c2ncccc2C(F)(F)F)n1 ZINC000001383780 342699455 /nfs/dbraw/zinc/69/94/55/342699455.db2.gz FEJKDLIYEIHYKM-UHFFFAOYSA-N 0 0 241.216 2.903 50 0 BFAARN Clc1snnc1CNc1ccccc1 ZINC000001385413 342699469 /nfs/dbraw/zinc/69/94/69/342699469.db2.gz OIUFTQYORJEYMV-UHFFFAOYSA-N 0 0 225.704 2.804 50 0 BFAARN Cc1noc(OCc2ccc(Cl)s2)n1 ZINC000071886197 342699777 /nfs/dbraw/zinc/69/97/77/342699777.db2.gz NJNZQMQUHKSMBS-UHFFFAOYSA-N 0 0 230.676 2.672 50 0 BFAARN FC(F)c1nnc2c(C(F)(F)F)cccn21 ZINC000001406513 342699935 /nfs/dbraw/zinc/69/99/35/342699935.db2.gz IXNLNZKUZJOGKO-UHFFFAOYSA-N 0 0 237.131 2.686 50 0 BFAARN Cc1occc(=O)c1OCc1ccccc1 ZINC000001405191 342700002 /nfs/dbraw/zinc/70/00/02/342700002.db2.gz LQDVCPYRCOKNMV-UHFFFAOYSA-N 0 0 216.236 2.527 50 0 BFAARN CC(C)CCn1c2ccccc2oc1=O ZINC000001452885 342701294 /nfs/dbraw/zinc/70/12/94/342701294.db2.gz SWHNTCCXRNPXNC-UHFFFAOYSA-N 0 0 205.257 2.641 50 0 BFAARN CCC1=NC[C@H]2c3cccc(OC)c3O[C@]12C ZINC000096027952 342701528 /nfs/dbraw/zinc/70/15/28/342701528.db2.gz HLFISRJGUDVBPT-HZMBPMFUSA-N 0 0 231.295 2.795 50 0 BFAARN Nc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000001661236 342707269 /nfs/dbraw/zinc/70/72/69/342707269.db2.gz DAOPOOMCXJPWPK-UHFFFAOYSA-N 0 0 227.263 2.626 50 0 BFAARN CCCCCC(=O)CCCC(=O)OCC ZINC000002379056 342719304 /nfs/dbraw/zinc/71/93/04/342719304.db2.gz ZAHUTEIIIFGYHV-UHFFFAOYSA-N 0 0 214.305 2.869 50 0 BFAARN Nc1ccccc1C(=O)OCCc1ccccc1 ZINC000001693901 342709683 /nfs/dbraw/zinc/70/96/83/342709683.db2.gz PXWNBAGCFUDYBE-UHFFFAOYSA-N 0 0 241.290 2.668 50 0 endogenous,in-man BFAARN Cc1cc(Br)cnc1Cl ZINC000001726759 342711348 /nfs/dbraw/zinc/71/13/48/342711348.db2.gz YTSKHJMMNFPBBZ-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000001732203 342711673 /nfs/dbraw/zinc/71/16/73/342711673.db2.gz HEPNAISIYKJLIZ-UHFFFAOYSA-N 0 0 227.267 2.913 50 0 BFAARN Cc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000000127857 398277230 /nfs/dbraw/zinc/27/72/30/398277230.db2.gz VYVIOMGTYOZNCW-UHFFFAOYSA-N 0 0 239.318 2.968 50 0 biogenic BFAARN Nc1ccc(OC(F)(F)F)cc1Cl ZINC000002382405 342719628 /nfs/dbraw/zinc/71/96/28/342719628.db2.gz YMLWONHDNGICOH-UHFFFAOYSA-N 0 0 211.570 2.821 50 0 BFAARN CCCCC(=O)NCCc1ccc(OC)cc1 ZINC000002114743 342716008 /nfs/dbraw/zinc/71/60/08/342716008.db2.gz UHNCCEHCPKJOGW-UHFFFAOYSA-N 0 0 235.327 2.544 50 0 BFAARN CCCCC(=O)Nc1ccccc1OC ZINC000002176688 342716726 /nfs/dbraw/zinc/71/67/26/342716726.db2.gz AKJLAWPGZYNGOP-UHFFFAOYSA-N 0 0 207.273 2.824 50 0 biogenic BFAARN Clc1cccc(-c2nn3cnnc3s2)c1 ZINC000002218968 342717062 /nfs/dbraw/zinc/71/70/62/342717062.db2.gz RLLHSNUODGKJDR-UHFFFAOYSA-N 0 0 236.687 2.506 50 0 BFAARN CCC[C@@]1(C)NC(=S)N(c2ccccc2)N1 ZINC000000220303 398277698 /nfs/dbraw/zinc/27/76/98/398277698.db2.gz QKKUXAIKMXQCLZ-LBPRGKRZSA-N 0 0 235.356 2.813 50 0 BFAARN CC(C)(C)OC(=O)N[C@@H]1CNc2ccccc2C1 ZINC000004202330 342743798 /nfs/dbraw/zinc/74/37/98/342743798.db2.gz GAURNOYXRZQBNV-NSHDSACASA-N 0 0 248.326 2.548 50 0 BFAARN CN(C)c1ccc([C@H](O)c2ccccc2)cc1 ZINC000004244749 342745439 /nfs/dbraw/zinc/74/54/39/342745439.db2.gz ZCFIOPJQDOOQQE-OAHLLOKOSA-N 0 0 227.307 2.834 50 0 BFAARN CC(C)C(=O)Nc1nc(-c2ccccc2)ns1 ZINC000004281865 342745923 /nfs/dbraw/zinc/74/59/23/342745923.db2.gz BFUDICCSMDKIHZ-UHFFFAOYSA-N 0 0 247.323 2.800 50 0 BFAARN O=C1CCCN1CC12CC3CC(CC(C3)C1)C2 ZINC000004342835 342746971 /nfs/dbraw/zinc/74/69/71/342746971.db2.gz WKGFLDXBABFMNH-UHFFFAOYSA-N 0 0 233.355 2.825 50 0 BFAARN COc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000004387718 342747527 /nfs/dbraw/zinc/74/75/27/342747527.db2.gz NPEOEUADRDQTCN-UHFFFAOYSA-N 0 0 230.263 2.599 50 0 biogenic BFAARN Cc1ccc2oc(-c3cc(N)cc(N)c3)nc2c1 ZINC000004414648 342747771 /nfs/dbraw/zinc/74/77/71/342747771.db2.gz CCYMLQQQUHOMQK-UHFFFAOYSA-N 0 0 239.278 2.968 50 0 BFAARN Nc1ccc(Br)c(Cl)c1F ZINC000002525780 342722518 /nfs/dbraw/zinc/72/25/18/342722518.db2.gz WYXZIQDHENNEPU-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN COCc1ccc(F)c(Br)c1 ZINC000002528589 342722976 /nfs/dbraw/zinc/72/29/76/342722976.db2.gz QBVRUQXKXJMOGC-UHFFFAOYSA-N 0 0 219.053 2.735 50 0 BFAARN Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 ZINC000002534301 342723169 /nfs/dbraw/zinc/72/31/69/342723169.db2.gz LOKCMEOLWDYGIQ-UHFFFAOYSA-N 0 0 241.216 2.532 50 0 BFAARN COC(=O)c1sc2cc(N)ccc2c1Cl ZINC000002536947 342723304 /nfs/dbraw/zinc/72/33/04/342723304.db2.gz OHIDFXTUQYNDLX-UHFFFAOYSA-N 0 0 241.699 2.924 50 0 BFAARN NC(=S)c1ccc(Cl)c(Cl)c1 ZINC000002540602 342723580 /nfs/dbraw/zinc/72/35/80/342723580.db2.gz FLRBZGVTWSWQNV-UHFFFAOYSA-N 0 0 206.097 2.628 50 0 BFAARN COc1cc(F)c(F)cc1Br ZINC000002545226 342723619 /nfs/dbraw/zinc/72/36/19/342723619.db2.gz DKARISQFDBAJEZ-UHFFFAOYSA-N 0 0 223.016 2.736 50 0 BFAARN CC(=O)Oc1ccc2ccccc2c1C=O ZINC000002565548 342724566 /nfs/dbraw/zinc/72/45/66/342724566.db2.gz ZEYRSVAXRVITRM-UHFFFAOYSA-N 0 0 214.220 2.578 50 0 BFAARN O=C(CCC1OCCCO1)c1ccc(F)cc1 ZINC000002581211 342725600 /nfs/dbraw/zinc/72/56/00/342725600.db2.gz MUFKOXUVQXHNHJ-UHFFFAOYSA-N 0 0 238.258 2.552 50 0 BFAARN CC(C)(C)OC(=O)Nc1cc(N)ccc1F ZINC000002599340 342726050 /nfs/dbraw/zinc/72/60/50/342726050.db2.gz FIRABEKBYKPYIS-UHFFFAOYSA-N 0 0 226.251 2.755 50 0 BFAARN COc1c(Cl)cc(C=O)cc1Br ZINC000002597447 342726057 /nfs/dbraw/zinc/72/60/57/342726057.db2.gz JUDGICQPFOAWBS-UHFFFAOYSA-N 0 0 249.491 2.924 50 0 BFAARN CCCCCC[C@@H](C(C)=O)C(=O)OCC ZINC000004582597 342749490 /nfs/dbraw/zinc/74/94/90/342749490.db2.gz BRGRZPQESQKATK-NSHDSACASA-N 0 0 214.305 2.725 50 0 BFAARN CCOc1cc(Cl)c(C=O)cc1OCC ZINC000002776145 342727100 /nfs/dbraw/zinc/72/71/00/342727100.db2.gz YFGKNITXEMJJPS-UHFFFAOYSA-N 0 0 228.675 2.950 50 0 BFAARN CCN(CC)C(=O)c1ccc(C)c(F)c1F ZINC000002858283 342727612 /nfs/dbraw/zinc/72/76/12/342727612.db2.gz DSBVNGPNAWYZIK-UHFFFAOYSA-N 0 0 227.254 2.755 50 0 BFAARN Nc1ccccc1NCCOc1ccccc1 ZINC000002999484 342729243 /nfs/dbraw/zinc/72/92/43/342729243.db2.gz PYRLCNHZSHDZFM-UHFFFAOYSA-N 0 0 228.295 2.760 50 0 BFAARN CCOc1ccc(Cc2cnc(N)s2)cc1 ZINC000003072627 342729983 /nfs/dbraw/zinc/72/99/83/342729983.db2.gz MKQHNAYBZYUSTR-UHFFFAOYSA-N 0 0 234.324 2.715 50 0 BFAARN O=C(CNc1ccccc1)Nc1ccccc1 ZINC000003203618 342731607 /nfs/dbraw/zinc/73/16/07/342731607.db2.gz GHNHEWYCTRNGGW-UHFFFAOYSA-N 0 0 226.279 2.737 50 0 BFAARN Clc1ccc(-c2cc(-c3nnco3)n[nH]2)cc1 ZINC000004625976 342749781 /nfs/dbraw/zinc/74/97/81/342749781.db2.gz NKPVARCLSOCDMZ-UHFFFAOYSA-N 0 0 246.657 2.780 50 0 BFAARN CC(C)(C)NC(=O)c1cccc2c1OC(C)(C)C2 ZINC000004668710 342750463 /nfs/dbraw/zinc/75/04/63/342750463.db2.gz FPADGSJUHCKNND-UHFFFAOYSA-N 0 0 247.338 2.928 50 0 BFAARN CCCn1c(SC)nc2ccccc2c1=O ZINC000003306155 342732451 /nfs/dbraw/zinc/73/24/51/342732451.db2.gz QWINMNCNGNJCCO-UHFFFAOYSA-N 0 0 234.324 2.528 50 0 BFAARN Cc1ccc(Nc2nccs2)c(O)c1 ZINC000004655001 342749877 /nfs/dbraw/zinc/74/98/77/342749877.db2.gz UTHOTQDPKFKRKG-UHFFFAOYSA-N 0 0 206.270 2.901 50 0 in-man BFAARN CCCCC(=O)Nc1cccc([C@H](C)O)c1 ZINC000004666475 342749894 /nfs/dbraw/zinc/74/98/94/342749894.db2.gz AYZWRABPAUXPRO-JTQLQIEISA-N 0 0 221.300 2.869 50 0 BFAARN O=Cc1ccc(-c2ccncc2F)cc1 ZINC000157500161 342735200 /nfs/dbraw/zinc/73/52/00/342735200.db2.gz SPXCFRCGBJROAK-UHFFFAOYSA-N 0 0 201.200 2.700 50 0 BFAARN Nc1n[nH]cc1-c1cccc(C(F)(F)F)c1 ZINC000003636114 342735451 /nfs/dbraw/zinc/73/54/51/342735451.db2.gz PSSKIVAWXWVOPK-UHFFFAOYSA-N 0 0 227.189 2.678 50 0 BFAARN CCc1cc(C(=O)Nc2cn[nH]c2)sc1C ZINC000035237448 342735575 /nfs/dbraw/zinc/73/55/75/342735575.db2.gz BHRDHEAAXJAJBL-UHFFFAOYSA-N 0 0 235.312 2.594 50 0 BFAARN Nc1nc2c(cc(F)cc2Br)s1 ZINC000003676499 342736426 /nfs/dbraw/zinc/73/64/26/342736426.db2.gz CEYPUSNLJCQPQY-UHFFFAOYSA-N 0 0 247.092 2.780 50 0 BFAARN O=C(n1cccn1)C12CC3CC(CC(C3)C1)C2 ZINC000004652479 342749968 /nfs/dbraw/zinc/74/99/68/342749968.db2.gz IZMRPCWQEDJDGT-UHFFFAOYSA-N 0 0 230.311 2.740 50 0 BFAARN CCCn1c2ccccc2nc1CN(C)C ZINC000035167702 342737641 /nfs/dbraw/zinc/73/76/41/342737641.db2.gz FNFIIAOFYVIIJA-UHFFFAOYSA-N 0 0 217.316 2.508 50 0 BFAARN CCCCOc1cc(C=O)ccc1OC ZINC000003887679 342739100 /nfs/dbraw/zinc/73/91/00/342739100.db2.gz CSSRHTDXZIBTMI-UHFFFAOYSA-N 0 0 208.257 2.687 50 0 BFAARN O=c1[nH]c2ccc(NCc3ccsc3)cc2[nH]1 ZINC000004842862 342752850 /nfs/dbraw/zinc/75/28/50/342752850.db2.gz IAEMIMSCFNOLFD-UHFFFAOYSA-N 0 0 245.307 2.530 50 0 BFAARN CCC(CC)NC(=O)c1cc(Cl)c[nH]1 ZINC000012920390 168385776 /nfs/dbraw/zinc/38/57/76/168385776.db2.gz FEKWKXSMSMVRAJ-UHFFFAOYSA-N 0 0 214.696 2.587 50 0 BFAARN CCC(CC)NC(=O)c1cccc(OC)c1 ZINC000000031652 168386043 /nfs/dbraw/zinc/38/60/43/168386043.db2.gz UUBRJNFDJKSQJM-UHFFFAOYSA-N 0 0 221.300 2.614 50 0 biogenic BFAARN CCC(CC)NC(=O)c1ccc(F)cc1F ZINC000012983569 168386248 /nfs/dbraw/zinc/38/62/48/168386248.db2.gz KXQCTUHKVWTUAD-UHFFFAOYSA-N 0 0 227.254 2.883 50 0 BFAARN CCC(CC)NC(=O)c1ccccc1OC(C)=O ZINC000000456855 168386347 /nfs/dbraw/zinc/38/63/47/168386347.db2.gz QYERKJSBRJJVPI-UHFFFAOYSA-N 0 0 249.310 2.530 50 0 BFAARN CC(C)C[C@H]1Cc2nc(N)sc2C(=O)C1 ZINC000005188679 342759825 /nfs/dbraw/zinc/75/98/25/342759825.db2.gz GAUUPODYGAUQPH-ZETCQYMHSA-N 0 0 224.329 2.517 50 0 BFAARN Cc1cc(=O)c2c(cccc2C(F)(F)F)[nH]1 ZINC000005294975 342761596 /nfs/dbraw/zinc/76/15/96/342761596.db2.gz SNBNCAWFABDEMW-UHFFFAOYSA-N 0 0 227.185 2.855 50 0 BFAARN CCCc1cc(O)c2c(C)cc(=O)oc2c1 ZINC000005686270 342768553 /nfs/dbraw/zinc/76/85/53/342768553.db2.gz UDMRRUFQIPTYHI-UHFFFAOYSA-N 0 0 218.252 2.760 50 0 biogenic BFAARN CSc1nc(Cl)c2c(n1)CCCC2 ZINC000005721414 342768834 /nfs/dbraw/zinc/76/88/34/342768834.db2.gz XDQBZDZLOKZGBN-UHFFFAOYSA-N 0 0 214.721 2.731 50 0 BFAARN Cn1c(=S)[nH]nc1C12CC3CC(CC(C3)C1)C2 ZINC000005748884 342769497 /nfs/dbraw/zinc/76/94/97/342769497.db2.gz ANNIHKXRSJJMHU-UHFFFAOYSA-N 0 0 249.383 2.945 50 0 BFAARN O=[N+]([O-])/C=C\c1cscc1Br ZINC000006090964 342773531 /nfs/dbraw/zinc/77/35/31/342773531.db2.gz SROBJKYKPZNFIX-UPHRSURJSA-N 0 0 234.074 2.758 50 0 BFAARN Cc1nn(C)c(C)c1NC(=O)c1ccc(C)cc1 ZINC000012895327 178435586 /nfs/dbraw/zinc/43/55/86/178435586.db2.gz OEDJJAWDZJXZTI-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN CC(C)(C)NC(=O)CCCc1ccccc1 ZINC000004699409 342750729 /nfs/dbraw/zinc/75/07/29/342750729.db2.gz WIVDYUBAAZRCRS-UHFFFAOYSA-N 0 0 219.328 2.924 50 0 BFAARN O=c1[nH]nc(Cc2ccccc2)c2ccccc21 ZINC000008671463 342801617 /nfs/dbraw/zinc/80/16/17/342801617.db2.gz JUCCMEHWBGPJKS-UHFFFAOYSA-N 0 0 236.274 2.514 50 0 in-vivo BFAARN CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1C ZINC000006596326 342779859 /nfs/dbraw/zinc/77/98/59/342779859.db2.gz QWDQTEBIJCAEFC-VXGBXAGGSA-N 0 0 235.327 2.677 50 0 BFAARN CC[C@@H]1CCCC[C@H]1OC(=O)CCCOC ZINC000097364037 342780262 /nfs/dbraw/zinc/78/02/62/342780262.db2.gz FDPYPCWSEVDKEM-VXGBXAGGSA-N 0 0 228.332 2.925 50 0 BFAARN Cc1ccc(NC(=O)Cc2ccccc2C)nc1 ZINC000006714333 342781535 /nfs/dbraw/zinc/78/15/35/342781535.db2.gz XESRCDQNFLBPKH-UHFFFAOYSA-N 0 0 240.306 2.880 50 0 BFAARN Cc1cc(C)cc(NC(=O)N2CCCC2)c1 ZINC000006729914 342781650 /nfs/dbraw/zinc/78/16/50/342781650.db2.gz PUCOKYOYTOOFMN-UHFFFAOYSA-N 0 0 218.300 2.931 50 0 BFAARN Cc1ccc(NC(=O)NC[C@H]2CCCO2)c(C)c1 ZINC000006727108 342781753 /nfs/dbraw/zinc/78/17/53/342781753.db2.gz UNHDRQSWFCWUIY-GFCCVEGCSA-N 0 0 248.326 2.604 50 0 BFAARN Cc1ccc(C2=NNC(=O)[C@@H]3CCCC[C@@H]23)cc1 ZINC000006814426 342783629 /nfs/dbraw/zinc/78/36/29/342783629.db2.gz CAGGMZIQVSXHRG-CHWSQXEVSA-N 0 0 242.322 2.635 50 0 BFAARN CSc1nc(-c2ccccc2)ns1 ZINC000002573131 342787450 /nfs/dbraw/zinc/78/74/50/342787450.db2.gz BCKNSBBDDVYPER-UHFFFAOYSA-N 0 0 208.311 2.927 50 0 BFAARN CCCSc1nnc(NC(=O)C(C)C)s1 ZINC000007321694 342790981 /nfs/dbraw/zinc/79/09/81/342790981.db2.gz VZJBSGQGWYVFAC-UHFFFAOYSA-N 0 0 245.373 2.635 50 0 BFAARN CCc1cnc(NCc2c(C)noc2C)s1 ZINC000097375397 342791285 /nfs/dbraw/zinc/79/12/85/342791285.db2.gz VFOFBLHXHMODRH-UHFFFAOYSA-N 0 0 237.328 2.922 50 0 BFAARN O=c1cc([O-])c2ccccc2n1-c1ccccc1 ZINC000002707796 342791851 /nfs/dbraw/zinc/79/18/51/342791851.db2.gz AZRSJQZWFYUFBJ-UHFFFAOYSA-N 0 0 237.258 2.696 50 0 BFAARN CCCC(=O)Nc1cccc(NC(=O)CC)c1 ZINC000009229921 342810979 /nfs/dbraw/zinc/81/09/79/342810979.db2.gz HIIBPOXVDYHVMB-UHFFFAOYSA-N 0 0 234.299 2.774 50 0 BFAARN CN(C)c1ccc(-c2ccc3[nH]ccc3c2)nn1 ZINC000032541252 342811456 /nfs/dbraw/zinc/81/14/56/342811456.db2.gz XIOIGYNMSBUIMD-UHFFFAOYSA-N 0 0 238.294 2.691 50 0 BFAARN Cc1cc(Br)cc2sc(N)nc21 ZINC000009280160 342811820 /nfs/dbraw/zinc/81/18/20/342811820.db2.gz CQNDRYGENLEDAA-UHFFFAOYSA-N 0 0 243.129 2.949 50 0 BFAARN Cc1ncc(-c2cncc(C(F)F)c2)n1C ZINC000630053309 361923848 /nfs/dbraw/zinc/92/38/48/361923848.db2.gz PRAAIAOXMFXRRO-UHFFFAOYSA-N 0 0 223.226 2.728 50 0 BFAARN CC(C)CC(=O)Nc1ccc(Cl)c(N)c1 ZINC000008732390 342804124 /nfs/dbraw/zinc/80/41/24/342804124.db2.gz BRZQCGTYVCSWPQ-UHFFFAOYSA-N 0 0 226.707 2.907 50 0 BFAARN CCOc1cccc(C(=O)N[C@H](C)CC)c1 ZINC000010120516 342834400 /nfs/dbraw/zinc/83/44/00/342834400.db2.gz XSVIKNYGCKQELG-SNVBAGLBSA-N 0 0 221.300 2.614 50 0 BFAARN CC(C)c1cc(=O)[nH]c(Nc2ccccc2)n1 ZINC000009939311 342829922 /nfs/dbraw/zinc/82/99/22/342829922.db2.gz SYLUYQYVCQTRDD-UHFFFAOYSA-N 0 0 229.283 2.637 50 0 BFAARN CC(=O)N(Cc1cccc(C)c1)C1CC1 ZINC000045414224 538992357 /nfs/dbraw/zinc/99/23/57/538992357.db2.gz TXBVLGNWFXSQLV-UHFFFAOYSA-N 0 0 203.285 2.506 50 0 BFAARN C[C@@H](C(=O)Nc1cccc(Cl)c1)n1ccnc1 ZINC000048333336 539008296 /nfs/dbraw/zinc/00/82/96/539008296.db2.gz MDQZCAKFQGEYLE-VIFPVBQESA-N 0 0 249.701 2.736 50 0 BFAARN Nc1ccc(C(=O)Nc2ccccc2F)cc1 ZINC000011737166 342843044 /nfs/dbraw/zinc/84/30/44/342843044.db2.gz YUPNPJSVXUEHPQ-UHFFFAOYSA-N 0 0 230.242 2.660 50 0 BFAARN COC(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000238360452 259325455 /nfs/dbraw/zinc/32/54/55/259325455.db2.gz PPPKCVBFGSHQKD-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN Nc1cccc(-c2noc(-c3ccccc3)n2)c1 ZINC000011920573 342844644 /nfs/dbraw/zinc/84/46/44/342844644.db2.gz YJTBHNHHGLEBEA-UHFFFAOYSA-N 0 0 237.262 2.986 50 0 BFAARN CCc1cnc(-c2cccc(NC(C)=O)c2)nc1 ZINC000032576419 342846930 /nfs/dbraw/zinc/84/69/30/342846930.db2.gz BNGDGAZQGLBGQK-UHFFFAOYSA-N 0 0 241.294 2.664 50 0 BFAARN Cc1ccc(C(C)C)cc1OCCn1cncn1 ZINC000000618168 178454508 /nfs/dbraw/zinc/45/45/08/178454508.db2.gz FJJUVHWZGFWIRJ-UHFFFAOYSA-N 0 0 245.326 2.789 50 0 BFAARN Fc1cc(-c2ccc(Cl)cn2)ccn1 ZINC000012359377 342849765 /nfs/dbraw/zinc/84/97/65/342849765.db2.gz UCTHNJGQZMBIOJ-UHFFFAOYSA-N 0 0 208.623 2.936 50 0 BFAARN CCCn1ccc(NCc2ccc(O)cc2)n1 ZINC000012395440 342851042 /nfs/dbraw/zinc/85/10/42/342851042.db2.gz JWHSGAKAKMGEEY-UHFFFAOYSA-N 0 0 231.299 2.611 50 0 BFAARN CCN(CC)C(=O)c1ccc2c(c1)CCC2 ZINC000012978851 342862609 /nfs/dbraw/zinc/86/26/09/342862609.db2.gz LVIZSHYAZVTJLX-UHFFFAOYSA-N 0 0 217.312 2.657 50 0 BFAARN CC(C)(C)CC(=O)Nc1ccccc1O ZINC000012998444 342862874 /nfs/dbraw/zinc/86/28/74/342862874.db2.gz BECOEELWDXAZBL-UHFFFAOYSA-N 0 0 207.273 2.767 50 0 BFAARN Cc1cc2n(n1)S[C@@H](Nc1ccccc1)N2 ZINC000013132462 342864076 /nfs/dbraw/zinc/86/40/76/342864076.db2.gz GRUDNJWCIFKAFB-NSHDSACASA-N 0 0 232.312 2.509 50 0 BFAARN Cc1noc(C)c1C(=O)Nc1cc(C)ccc1F ZINC000013325460 342865798 /nfs/dbraw/zinc/86/57/98/342865798.db2.gz IRRCTZOKWFJCPH-UHFFFAOYSA-N 0 0 248.257 2.991 50 0 BFAARN O=C1NC2(CCCC2)N=C1c1ccc(Cl)cc1 ZINC000004434771 342869458 /nfs/dbraw/zinc/86/94/58/342869458.db2.gz WILCDRIUYQOBOS-UHFFFAOYSA-N 0 0 248.713 2.529 50 0 BFAARN O=C(c1ccccn1)N1CCC[C@H]2CCCC[C@H]21 ZINC000032819474 342879152 /nfs/dbraw/zinc/87/91/52/342879152.db2.gz XFQBZGGPDQQECT-TZMCWYRMSA-N 0 0 244.338 2.876 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2cc(N)ccc21 ZINC000014000349 342875693 /nfs/dbraw/zinc/87/56/93/342875693.db2.gz JSNLQWAGJJGYOB-UHFFFAOYSA-N 0 0 234.299 2.566 50 0 BFAARN CSCC(=O)c1cccc(Cl)c1 ZINC000038064061 342875856 /nfs/dbraw/zinc/87/58/56/342875856.db2.gz LYUXWGIBCDLJLZ-UHFFFAOYSA-N 0 0 200.690 2.886 50 0 BFAARN CSCC(=O)c1ccc(F)cc1F ZINC000038064054 342875935 /nfs/dbraw/zinc/87/59/35/342875935.db2.gz BNIWUBRPXPZHFK-UHFFFAOYSA-N 0 0 202.225 2.511 50 0 BFAARN Cc1c2cc(F)ccc2oc1C(=O)N1CCC1 ZINC000014128627 342877316 /nfs/dbraw/zinc/87/73/16/342877316.db2.gz OGOBULBYDNBICF-UHFFFAOYSA-N 0 0 233.242 2.726 50 0 BFAARN Cc1cnc(NC(=O)Cc2ccccc2)s1 ZINC000003160947 346869749 /nfs/dbraw/zinc/86/97/49/346869749.db2.gz BZGKXQSOFFPEDI-UHFFFAOYSA-N 0 0 232.308 2.633 50 0 in-vivo BFAARN O=[N+]([O-])/C=C/c1cccc(Br)c1F ZINC000094992644 398315775 /nfs/dbraw/zinc/31/57/75/398315775.db2.gz XBNQDRANKXIHSP-SNAWJCMRSA-N 0 0 246.035 2.836 50 0 BFAARN CCCCC(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000096409460 398317725 /nfs/dbraw/zinc/31/77/25/398317725.db2.gz XPFIERKTXCSNAQ-QWRGUYRKSA-N 0 0 229.389 2.967 50 0 BFAARN Nc1ccc(OCc2ccccc2)c(F)c1 ZINC000014630626 342883117 /nfs/dbraw/zinc/88/31/17/342883117.db2.gz XLEYXHRMSUPJST-UHFFFAOYSA-N 0 0 217.243 2.987 50 0 BFAARN Nc1cc(Br)c2ccccc2n1 ZINC000014982020 342889849 /nfs/dbraw/zinc/88/98/49/342889849.db2.gz KEYPUSCLNYKXET-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Cc1cc(Br)cc2n[nH]cc21 ZINC000014984647 342890143 /nfs/dbraw/zinc/89/01/43/342890143.db2.gz OIVUHPTVQVCONM-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN COC(=O)c1nc(Cl)sc1C(C)C ZINC000015021568 342890872 /nfs/dbraw/zinc/89/08/72/342890872.db2.gz SEDCUPKYEPBQEQ-UHFFFAOYSA-N 0 0 219.693 2.707 50 0 BFAARN CCc1cc(C(=O)N2CCCCC2)cs1 ZINC000016604550 342913261 /nfs/dbraw/zinc/91/32/61/342913261.db2.gz RYNXVOOHXBLRBL-UHFFFAOYSA-N 0 0 223.341 2.937 50 0 BFAARN COC(=O)c1cncc(-c2cccc(C)c2)c1 ZINC000016946693 342917857 /nfs/dbraw/zinc/91/78/57/342917857.db2.gz ZMHWOBKZPKAZBY-UHFFFAOYSA-N 0 0 227.263 2.844 50 0 BFAARN COC(=O)CCSCc1cccc(F)c1 ZINC000016971082 342918214 /nfs/dbraw/zinc/91/82/14/342918214.db2.gz WSPLAGTWCCFMPB-UHFFFAOYSA-N 0 0 228.288 2.622 50 0 BFAARN O=c1cc(-c2ccc(Cl)cc2)[nH]c(=S)[nH]1 ZINC000016972267 342918329 /nfs/dbraw/zinc/91/83/29/342918329.db2.gz LTQWTYKQCZSHGX-UHFFFAOYSA-N 0 0 238.699 2.753 50 0 BFAARN Fc1ccc(Oc2ncccn2)cc1F ZINC000017117819 342920905 /nfs/dbraw/zinc/92/09/05/342920905.db2.gz HZQZWDQDMCTSJB-UHFFFAOYSA-N 0 0 208.167 2.547 50 0 BFAARN Nc1ccc2nc(C(F)(F)F)ccc2c1 ZINC000011737070 346878352 /nfs/dbraw/zinc/87/83/52/346878352.db2.gz DMOZVMKZTCUPQC-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN O=c1nc[nH]c2scc(-c3cccs3)c21 ZINC000018125083 342931752 /nfs/dbraw/zinc/93/17/52/342931752.db2.gz LFUBTAOTPHKKOS-UHFFFAOYSA-N 0 0 234.305 2.713 50 0 in-vitro BFAARN CCOCCOc1ccc2ccccc2n1 ZINC000004002228 398327654 /nfs/dbraw/zinc/32/76/54/398327654.db2.gz PEULSYWBXYNLPO-UHFFFAOYSA-N 0 0 217.268 2.650 50 0 BFAARN CC(C)=CCC[C@H](C)C[C@@H]1OCCN1C(C)=O ZINC000004026598 398327977 /nfs/dbraw/zinc/32/79/77/398327977.db2.gz RKYXURFVIOUABL-JSGCOSHPSA-N 0 0 239.359 2.964 50 0 biogenic BFAARN CC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000032105363 398328600 /nfs/dbraw/zinc/32/86/00/398328600.db2.gz KFHKDRNBTMXQGG-UHFFFAOYSA-N 0 0 228.295 2.679 50 0 BFAARN Cc1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)cn1 ZINC000032029742 398328370 /nfs/dbraw/zinc/32/83/70/398328370.db2.gz ZDQMHYYPXBUFPZ-GWCFXTLKSA-N 0 0 232.327 2.699 50 0 BFAARN CCOc1ccc(-c2cnc3n2CCC3)cc1 ZINC000000494421 346876445 /nfs/dbraw/zinc/87/64/45/346876445.db2.gz BNHBFAPJZHNXTE-UHFFFAOYSA-N 0 0 228.295 2.895 50 0 BFAARN Cc1nc(-c2ccccc2)nc2[nH]ccc(=O)c12 ZINC000008680734 398329097 /nfs/dbraw/zinc/32/90/97/398329097.db2.gz ZMDLLACOSQTUKG-UHFFFAOYSA-N 0 0 237.262 2.706 50 0 BFAARN CC(C)(C)OC(=O)c1ccc(F)cc1F ZINC000068813105 259331331 /nfs/dbraw/zinc/33/13/31/259331331.db2.gz NIADSGDBPFELPU-UHFFFAOYSA-N 0 0 214.211 2.920 50 0 BFAARN Cc1ccc(NC(=O)c2ccc(N)cc2)c(C)n1 ZINC000071774195 398337375 /nfs/dbraw/zinc/33/73/75/398337375.db2.gz LYQGEPVEGHFFJM-UHFFFAOYSA-N 0 0 241.294 2.533 50 0 BFAARN CC(=O)CSc1c[nH]c2ccccc12 ZINC000000346399 398333554 /nfs/dbraw/zinc/33/35/54/398333554.db2.gz QELFCDYSBXSHNB-UHFFFAOYSA-N 0 0 205.282 2.849 50 0 BFAARN Cc1ccc(C)c(C(=O)Nc2ccccn2)c1 ZINC000027653449 178467272 /nfs/dbraw/zinc/46/72/72/178467272.db2.gz HGGHQLCIEYDLNZ-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000019256468 342944691 /nfs/dbraw/zinc/94/46/91/342944691.db2.gz HLUUSUYPMJJHLW-UHFFFAOYSA-N 0 0 234.686 2.896 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc(F)cc1N ZINC000019415176 342948170 /nfs/dbraw/zinc/94/81/70/342948170.db2.gz IBKSOWUYKOORFF-UHFFFAOYSA-N 0 0 226.251 2.755 50 0 BFAARN Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1 ZINC000019440874 342949173 /nfs/dbraw/zinc/94/91/73/342949173.db2.gz LJPZRDOOEROXQP-UHFFFAOYSA-N 0 0 227.242 2.951 50 0 BFAARN Nc1ccnn1Cc1cccc2ccccc21 ZINC000019689491 342953963 /nfs/dbraw/zinc/95/39/63/342953963.db2.gz XDFCSRDDAZVANV-UHFFFAOYSA-N 0 0 223.279 2.667 50 0 BFAARN Cc1ccc(NC(=O)c2ccc(Cl)o2)nc1 ZINC000012545502 346902270 /nfs/dbraw/zinc/90/22/70/346902270.db2.gz VYGLBBWIHBIJNT-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN CC[C@@H](C)Nc1cc(OC)ccc1OC ZINC000019772379 342957106 /nfs/dbraw/zinc/95/71/06/342957106.db2.gz MGAKTKYWGYHKDA-SECBINFHSA-N 0 0 209.289 2.914 50 0 BFAARN Cc1cc(=O)c2cccc(OC(F)(F)F)c2[nH]1 ZINC000019722004 342954544 /nfs/dbraw/zinc/95/45/44/342954544.db2.gz NDRCMDPNVZOOOD-UHFFFAOYSA-N 0 0 243.184 2.735 50 0 BFAARN Nc1cc(F)ccc1N1CCc2ccccc2C1 ZINC000019868522 342960472 /nfs/dbraw/zinc/96/04/72/342960472.db2.gz JMVNOELZHRWWNT-UHFFFAOYSA-N 0 0 242.297 2.971 50 0 BFAARN Cc1csc(Nc2ccc(C(N)=S)cc2)n1 ZINC000019867029 342960477 /nfs/dbraw/zinc/96/04/77/342960477.db2.gz PYUORRNMXOKVKK-UHFFFAOYSA-N 0 0 249.364 2.829 50 0 BFAARN CCOc1ccccc1CNC(=O)c1ccco1 ZINC000020110276 342969215 /nfs/dbraw/zinc/96/92/15/342969215.db2.gz JIOYSNZVJZOZQH-UHFFFAOYSA-N 0 0 245.278 2.608 50 0 BFAARN Cc1ccc(NC(=O)NC2CC2)c(Cl)c1 ZINC000040525671 344020156 /nfs/dbraw/zinc/02/01/56/344020156.db2.gz BZQNZCGVNBECBO-UHFFFAOYSA-N 0 0 224.691 2.932 50 0 BFAARN Fc1ccc(NCc2ccccn2)cc1 ZINC000019942496 342963879 /nfs/dbraw/zinc/96/38/79/342963879.db2.gz WWLAZFLOFFVANE-UHFFFAOYSA-N 0 0 202.232 2.833 50 0 BFAARN Cc1ccc(N)c(-c2nc(C3CC3)no2)c1 ZINC000020021487 342966287 /nfs/dbraw/zinc/96/62/87/342966287.db2.gz WVLNUFJNPLSQLB-UHFFFAOYSA-N 0 0 215.256 2.505 50 0 BFAARN Cc1cnn([C@H]2CCCc3ccccc32)c1N ZINC000020578572 342991684 /nfs/dbraw/zinc/99/16/84/342991684.db2.gz PNJFMCIXVQWPBS-ZDUSSCGKSA-N 0 0 227.311 2.699 50 0 BFAARN N[C@@H](c1cc2ccccc2o1)c1ccncc1 ZINC000020592717 342991763 /nfs/dbraw/zinc/99/17/63/342991763.db2.gz UIAQKLCCGOFKLJ-CQSZACIVSA-N 0 0 224.263 2.876 50 0 BFAARN Cc1cnn([C@@H]2CCCc3ccccc32)c1N ZINC000020578569 342991928 /nfs/dbraw/zinc/99/19/28/342991928.db2.gz PNJFMCIXVQWPBS-CYBMUJFWSA-N 0 0 227.311 2.699 50 0 BFAARN Cc1ccc(C)c(N(C(=O)[C@@H]2CCO2)C(C)C)c1 ZINC000095444489 178477919 /nfs/dbraw/zinc/47/79/19/178477919.db2.gz BESZZBPSCUKVMS-AWEZNQCLSA-N 0 0 247.338 2.834 50 0 BFAARN O=C(c1cccc(O)c1)N1CCCCCCC1 ZINC000020266271 342979345 /nfs/dbraw/zinc/97/93/45/342979345.db2.gz GKMMPLQOKQZGPL-UHFFFAOYSA-N 0 0 233.311 2.799 50 0 BFAARN Nc1cccc(Oc2ccnc(Cl)n2)c1 ZINC000020358089 342983625 /nfs/dbraw/zinc/98/36/25/342983625.db2.gz XCYKCLLZDOOWEG-UHFFFAOYSA-N 0 0 221.647 2.505 50 0 BFAARN Nc1nccc2ccc(Br)cc12 ZINC000021304136 343009240 /nfs/dbraw/zinc/00/92/40/343009240.db2.gz PLOCDXILPIGHEZ-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Clc1ccc(NCCc2ccccc2)nn1 ZINC000021303412 343009419 /nfs/dbraw/zinc/00/94/19/343009419.db2.gz KXXMWXCJRYLWMZ-UHFFFAOYSA-N 0 0 233.702 2.785 50 0 BFAARN Cc1occc1C(=O)N1CCc2sccc2C1 ZINC000021627928 343016745 /nfs/dbraw/zinc/01/67/45/343016745.db2.gz OSTNAPAWSVUZJP-UHFFFAOYSA-N 0 0 247.319 2.848 50 0 BFAARN Cc1ccoc1C(=O)NCCc1ccccc1F ZINC000021669147 343017086 /nfs/dbraw/zinc/01/70/86/343017086.db2.gz PTXRWLADXAKLON-UHFFFAOYSA-N 0 0 247.269 2.700 50 0 BFAARN CC(C)(C)NC(=O)CSCc1ccccc1 ZINC000006692914 349754980 /nfs/dbraw/zinc/75/49/80/349754980.db2.gz GMCFBDCNQJJYFV-UHFFFAOYSA-N 0 0 237.368 2.835 50 0 BFAARN Clc1cccc(-c2noc(NC3CC3)n2)c1 ZINC000021365123 343011749 /nfs/dbraw/zinc/01/17/49/343011749.db2.gz IMZWLPRAEQBJNW-UHFFFAOYSA-N 0 0 235.674 2.964 50 0 BFAARN Cc1c(C)n(-c2ccccn2)c(C)c1C=O ZINC000022122408 343040317 /nfs/dbraw/zinc/04/03/17/343040317.db2.gz AXTYMGFUXBQVDE-UHFFFAOYSA-N 0 0 214.268 2.610 50 0 BFAARN CC[C@H](O)c1cccc(Br)c1 ZINC000021952867 343029672 /nfs/dbraw/zinc/02/96/72/343029672.db2.gz NFRBOGHEHVPWKF-VIFPVBQESA-N 0 0 215.090 2.893 50 0 BFAARN Nc1ncc(Cc2ccc(F)c(F)c2F)s1 ZINC000021952296 343029683 /nfs/dbraw/zinc/02/96/83/343029683.db2.gz FCGFLMKPFPJGAV-UHFFFAOYSA-N 0 0 244.241 2.733 50 0 BFAARN C[C@]12CC3CC(CC(N)=O)(C1)C[C@@](C)(C3)C2 ZINC000012410081 343052367 /nfs/dbraw/zinc/05/23/67/343052367.db2.gz CLKVYOBTIWGMJZ-AMZBWDOQSA-N 0 0 221.344 2.858 50 0 BFAARN Fc1ccc(OCCCCn2ccnc2)cc1 ZINC000023550145 343066141 /nfs/dbraw/zinc/06/61/41/343066141.db2.gz QSHZIRDMVYIXJA-UHFFFAOYSA-N 0 0 234.274 2.881 50 0 BFAARN Cc1ccc(NC(=O)C2CCOCC2)c(C)c1 ZINC000023623105 343066271 /nfs/dbraw/zinc/06/62/71/343066271.db2.gz RXAIFJSCPSJCGF-UHFFFAOYSA-N 0 0 233.311 2.669 50 0 BFAARN CS[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000042823573 362028267 /nfs/dbraw/zinc/02/82/67/362028267.db2.gz FMXCBIDTHKJQRL-VIFPVBQESA-N 0 0 241.331 2.536 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(C(=O)OC)s1 ZINC000026111481 343100410 /nfs/dbraw/zinc/10/04/10/343100410.db2.gz SCIRCJLNTCZGDU-SSDOTTSWSA-N 0 0 241.312 2.519 50 0 BFAARN Cc1ccc2[nH]c([C@H](O)c3ccccc3)nc2c1 ZINC000026462316 343105533 /nfs/dbraw/zinc/10/55/33/343105533.db2.gz JFCGJONXAJJUDD-CQSZACIVSA-N 0 0 238.290 2.953 50 0 BFAARN CO[C@@H](CNC(=O)CC(C)C)c1ccccc1 ZINC000043518373 343117306 /nfs/dbraw/zinc/11/73/06/343117306.db2.gz WGLUBDQLFLRMRZ-ZDUSSCGKSA-N 0 0 235.327 2.536 50 0 BFAARN Fc1cccc(-c2nnc(-c3ccncc3)o2)c1 ZINC000030824299 343208203 /nfs/dbraw/zinc/20/82/03/343208203.db2.gz FVTZEVWXIWCQAW-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN CC[C@@H](C)NC(=O)c1cccc2cccnc21 ZINC000032518230 343237076 /nfs/dbraw/zinc/23/70/76/343237076.db2.gz MNHXVFUIWVPGDB-SNVBAGLBSA-N 0 0 228.295 2.763 50 0 BFAARN O=C(OCC(F)(F)F)N1CCc2ccccc21 ZINC000032628773 343238856 /nfs/dbraw/zinc/23/88/56/343238856.db2.gz CJGSHZBUKLAXDO-UHFFFAOYSA-N 0 0 245.200 2.748 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)c1occc1C ZINC000032784515 343242078 /nfs/dbraw/zinc/24/20/78/343242078.db2.gz SEHIARKQLQDCGT-LLVKDONJSA-N 0 0 221.300 2.993 50 0 BFAARN C[C@@H]1c2ccsc2CCN1C(=O)C1CCC1 ZINC000032781398 343242114 /nfs/dbraw/zinc/24/21/14/343242114.db2.gz PMIDBNBLBJBTGV-SECBINFHSA-N 0 0 235.352 2.994 50 0 BFAARN O=C(c1cccnc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000032819485 343242656 /nfs/dbraw/zinc/24/26/56/343242656.db2.gz CGAJISHBFSDDEQ-JSGCOSHPSA-N 0 0 244.338 2.876 50 0 BFAARN Clc1nsnc1N1CCCCCC1 ZINC000032919545 343244557 /nfs/dbraw/zinc/24/45/57/343244557.db2.gz NCWGMSUYBQOJMV-UHFFFAOYSA-N 0 0 217.725 2.572 50 0 BFAARN Cc1cc(C(=O)N2CCCC2)c(C)n1C(C)C ZINC000033019277 343246601 /nfs/dbraw/zinc/24/66/01/343246601.db2.gz LQXXSHLJMZYKHG-UHFFFAOYSA-N 0 0 234.343 2.922 50 0 BFAARN Cc1ccc(CNC(=O)c2ccco2)s1 ZINC000048344173 343246666 /nfs/dbraw/zinc/24/66/66/343246666.db2.gz FLVOLTKPWRZEIH-UHFFFAOYSA-N 0 0 221.281 2.580 50 0 BFAARN CC(C)CNC(=O)c1ccc(Cl)s1 ZINC000033027030 343247136 /nfs/dbraw/zinc/24/71/36/343247136.db2.gz IWUKJVAIUOTKOL-UHFFFAOYSA-N 0 0 217.721 2.787 50 0 BFAARN CCN(CC)C(=O)c1c[nH]c2ccccc12 ZINC000035134603 343286185 /nfs/dbraw/zinc/28/61/85/343286185.db2.gz AQDHSDDONXQQHG-UHFFFAOYSA-N 0 0 216.284 2.650 50 0 BFAARN Clc1ncncc1OCc1ccccc1 ZINC000034103668 343264565 /nfs/dbraw/zinc/26/45/65/343264565.db2.gz SSJCZULJHDCPOB-UHFFFAOYSA-N 0 0 220.659 2.709 50 0 BFAARN C/C=C(\C)c1nnc(NC(=O)c2ccco2)s1 ZINC000000618445 343269901 /nfs/dbraw/zinc/26/99/01/343269901.db2.gz YXUYSGKSNQCRGO-XVNBXDOJSA-N 0 0 249.295 2.807 50 0 BFAARN Cc1nnc(SCc2ccc(C)cc2)o1 ZINC000004918473 343273502 /nfs/dbraw/zinc/27/35/02/343273502.db2.gz PJIWCZNOBMMQTP-UHFFFAOYSA-N 0 0 220.297 2.979 50 0 BFAARN CCc1cc(Cl)nc(-c2ccncc2)n1 ZINC000036755680 343323742 /nfs/dbraw/zinc/32/37/42/343323742.db2.gz BOXIBVHVFRRNDX-UHFFFAOYSA-N 0 0 219.675 2.754 50 0 BFAARN O=C1COc2cc(Cl)cc(Cl)c21 ZINC000036813836 343324779 /nfs/dbraw/zinc/32/47/79/343324779.db2.gz VUYJDXGTXGRKAC-UHFFFAOYSA-N 0 0 203.024 2.569 50 0 BFAARN O=C1CCCOc2c(Br)cccc21 ZINC000036926603 343328114 /nfs/dbraw/zinc/32/81/14/343328114.db2.gz QRVUNSFWSWJJHJ-UHFFFAOYSA-N 0 0 241.084 2.804 50 0 BFAARN C=CC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000037003267 343330228 /nfs/dbraw/zinc/33/02/28/343330228.db2.gz VKYRKGKUWICXPL-UHFFFAOYSA-N 0 0 236.290 2.795 50 0 BFAARN O=C1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000035636710 343301122 /nfs/dbraw/zinc/30/11/22/343301122.db2.gz WEMZPTVFMJNMRK-UHFFFAOYSA-N 0 0 224.687 2.671 50 0 in-vitro BFAARN CC(C)c1noc(-c2ccc(O)cc2)n1 ZINC000036047764 343307259 /nfs/dbraw/zinc/30/72/59/343307259.db2.gz JIAKSCRPRKEHHG-UHFFFAOYSA-N 0 0 204.229 2.566 50 0 BFAARN O=c1ccc(-c2ccc(Cl)cc2Cl)n[nH]1 ZINC000036168306 343311291 /nfs/dbraw/zinc/31/12/91/343311291.db2.gz VJBDJBZVJBHYBI-UHFFFAOYSA-N 0 0 241.077 2.744 50 0 BFAARN Nc1c(Cl)ncnc1-n1ccc2ccccc21 ZINC000038213075 343372882 /nfs/dbraw/zinc/37/28/82/343372882.db2.gz ZDKAWQINGKZLDH-UHFFFAOYSA-N 0 0 244.685 2.656 50 0 BFAARN Cc1cc(C)n(-c2cccc(Cl)n2)n1 ZINC000038537445 343376774 /nfs/dbraw/zinc/37/67/74/343376774.db2.gz BTWMIOGUELFRMZ-UHFFFAOYSA-N 0 0 207.664 2.538 50 0 BFAARN Fc1c(Cl)nc(C(F)(F)F)nc1Cl ZINC000039632787 343390879 /nfs/dbraw/zinc/39/08/79/343390879.db2.gz OLRZQFAZUSRNRR-UHFFFAOYSA-N 0 0 234.967 2.941 50 0 BFAARN C=Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000039947128 343393818 /nfs/dbraw/zinc/39/38/18/343393818.db2.gz OVSHRHXQNLFAKR-UHFFFAOYSA-N 0 0 232.308 2.506 50 0 BFAARN Clc1c2c[nH]nc2ccc1Br ZINC000040448812 343404081 /nfs/dbraw/zinc/40/40/81/343404081.db2.gz GMGRNRQBEWCLKJ-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Clc1cc(Br)cc2c[nH]nc21 ZINC000040448814 343404257 /nfs/dbraw/zinc/40/42/57/343404257.db2.gz IQSRPQLSDHXAIZ-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN CC(=O)OCc1c(C)c(C)c(C=O)c(C)c1C ZINC000040488499 343405241 /nfs/dbraw/zinc/40/52/41/343405241.db2.gz JJBGQNLMONPING-UHFFFAOYSA-N 0 0 234.295 2.796 50 0 BFAARN O=C(c1cccc(Cl)c1)N1CCSCC1 ZINC000040542014 343406779 /nfs/dbraw/zinc/40/67/79/343406779.db2.gz GIDVOSZOPDDWCP-UHFFFAOYSA-N 0 0 241.743 2.529 50 0 BFAARN Cc1ccc(CCCNC(=O)C(C)C)cc1 ZINC000072115741 178530475 /nfs/dbraw/zinc/53/04/75/178530475.db2.gz BGJLGXVRQXKACA-UHFFFAOYSA-N 0 0 219.328 2.700 50 0 BFAARN Nc1cc(C(=O)OCc2ccccc2)ccc1F ZINC000042372785 343435750 /nfs/dbraw/zinc/43/57/50/343435750.db2.gz QDWCLHABHDGMFY-UHFFFAOYSA-N 0 0 245.253 2.765 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2c1cccc2C=O ZINC000042684518 343447589 /nfs/dbraw/zinc/44/75/89/343447589.db2.gz FEAIDQMPFVVRKA-UHFFFAOYSA-N 0 0 247.294 2.797 50 0 BFAARN CCOc1ccc([C@H](C)O)c(OCC)c1 ZINC000042684316 343447757 /nfs/dbraw/zinc/44/77/57/343447757.db2.gz HLEWKJICLMIORG-VIFPVBQESA-N 0 0 210.273 2.537 50 0 BFAARN Cc1c(N)cc(Cl)cc1Br ZINC000042684326 343447944 /nfs/dbraw/zinc/44/79/44/343447944.db2.gz BGECTFQDFFAMKV-UHFFFAOYSA-N 0 0 220.497 2.993 50 0 BFAARN Cc1ccc(CCNC(=O)CC(C)(C)C)o1 ZINC000040516531 178534162 /nfs/dbraw/zinc/53/41/62/178534162.db2.gz ULOAYEOQVYKRSS-UHFFFAOYSA-N 0 0 223.316 2.683 50 0 BFAARN COc1cc(OC)c2nccc(C)c2c1 ZINC000043794347 343484201 /nfs/dbraw/zinc/48/42/01/343484201.db2.gz DZXKOXPAULZIGL-UHFFFAOYSA-N 0 0 203.241 2.560 50 0 BFAARN Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1 ZINC000044117447 343491987 /nfs/dbraw/zinc/49/19/87/343491987.db2.gz KYZMABUPSVQWFX-UHFFFAOYSA-N 0 0 239.200 2.745 50 0 BFAARN CC(=O)Oc1ccccc1C(=O)c1cccs1 ZINC000043210679 343465814 /nfs/dbraw/zinc/46/58/14/343465814.db2.gz JMWYQBVAUFUDAZ-UHFFFAOYSA-N 0 0 246.287 2.904 50 0 BFAARN O=c1c(Br)coc2cc(F)ccc12 ZINC000044672068 343511628 /nfs/dbraw/zinc/51/16/28/343511628.db2.gz ZIHXBLKZUOFSMR-UHFFFAOYSA-N 0 0 243.031 2.695 50 0 BFAARN COC(=O)c1nc(C(F)(F)F)ccc1Cl ZINC000047202297 343558542 /nfs/dbraw/zinc/55/85/42/343558542.db2.gz GWGHUSHBBKTWGG-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN Nc1cccc(NC(=O)Oc2ccccc2)c1 ZINC000047843687 343566341 /nfs/dbraw/zinc/56/63/41/343566341.db2.gz IXRLLLRWRZSZLT-UHFFFAOYSA-N 0 0 228.251 2.880 50 0 BFAARN CC(C)(C)n1nnnc1SC1CCCCC1 ZINC000048363281 343579128 /nfs/dbraw/zinc/57/91/28/343579128.db2.gz OGBFPQVZXVNGEE-UHFFFAOYSA-N 0 0 240.376 2.853 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)c1scnc1C ZINC000058295575 343699467 /nfs/dbraw/zinc/69/94/67/343699467.db2.gz QOWHPLALTSJWGY-SNVBAGLBSA-N 0 0 238.356 2.856 50 0 BFAARN Cc1nnc([C@@H]2CCCN2Cc2cccs2)[nH]1 ZINC000097941175 343728419 /nfs/dbraw/zinc/72/84/19/343728419.db2.gz YYVKTWXCFRRAJY-NSHDSACASA-N 0 0 248.355 2.512 50 0 BFAARN COc1ccnc(Cl)c1C(F)(F)F ZINC000201111701 349881495 /nfs/dbraw/zinc/88/14/95/349881495.db2.gz ZNFGHPBRWYMFNC-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN CC1(C)Oc2ccc(C(F)(F)F)cc2NC1=O ZINC000075883238 349898003 /nfs/dbraw/zinc/89/80/03/349898003.db2.gz KVGQIRCTCZFWNN-UHFFFAOYSA-N 0 0 245.200 2.815 50 0 BFAARN C[C@H](c1ccccc1)N(C)C(=O)[C@H]1C[C@H]1C ZINC000249687540 362253373 /nfs/dbraw/zinc/25/33/73/362253373.db2.gz SAGUQTRUDGVERG-WZRBSPASSA-N 0 0 217.312 2.862 50 0 BFAARN CCCCC(=O)Nc1cccc(C(=O)OC)c1C ZINC000006704214 343963847 /nfs/dbraw/zinc/96/38/47/343963847.db2.gz YAMDCDJVUOLNLK-UHFFFAOYSA-N 0 0 249.310 2.910 50 0 BFAARN Fc1ccc(-c2cnc([C@H]3CCC[NH2+]3)o2)cc1 ZINC000036162577 343968234 /nfs/dbraw/zinc/96/82/34/343968234.db2.gz SGIBHGOHBSAYQQ-LLVKDONJSA-N 0 0 232.258 2.905 50 0 BFAARN C[C@H]1C[C@H]1c1ccc(CCC(=O)NCC2CC2)o1 ZINC000043752490 344145478 /nfs/dbraw/zinc/14/54/78/344145478.db2.gz WKDRNSSPNDPGLC-GXFFZTMASA-N 0 0 247.338 2.862 50 0 BFAARN C=CC(=O)NCc1c(OC)ccc2ccccc21 ZINC000585133976 344147458 /nfs/dbraw/zinc/14/74/58/344147458.db2.gz PJXJPMHXOSXZCH-UHFFFAOYSA-N 0 0 241.290 2.651 50 0 BFAARN CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C ZINC000072277679 344147466 /nfs/dbraw/zinc/14/74/66/344147466.db2.gz FBLKLHHVSLOBEJ-GFCCVEGCSA-N 0 0 240.391 2.556 50 0 BFAARN CC(C)C(=O)Nc1nc2c(s1)CCCC2 ZINC000004746876 344155500 /nfs/dbraw/zinc/15/55/00/344155500.db2.gz LTPCZCXSURCJHK-UHFFFAOYSA-N 0 0 224.329 2.616 50 0 BFAARN CCCC[C@@H](CC)C(=O)CC1OCCO1 ZINC000085652315 344207690 /nfs/dbraw/zinc/20/76/90/344207690.db2.gz PPQATRSRSKGKMI-SNVBAGLBSA-N 0 0 214.305 2.535 50 0 BFAARN CCC[C@@H](Nc1cnn(C)c1)c1cccnc1 ZINC000157303811 344183801 /nfs/dbraw/zinc/18/38/01/344183801.db2.gz CZHPJQRTUARUBG-CYBMUJFWSA-N 0 0 230.315 2.768 50 0 BFAARN Cn1cnnc1SC/C=C\c1ccccc1 ZINC000033363362 344271968 /nfs/dbraw/zinc/27/19/68/344271968.db2.gz FSNYXQZDOOQNCW-YVMONPNESA-N 0 0 231.324 2.621 50 0 BFAARN O=C(c1ccsc1)N1CCc2ccccc21 ZINC000009156019 344272482 /nfs/dbraw/zinc/27/24/82/344272482.db2.gz ZPBWQXTYFODNRA-UHFFFAOYSA-N 0 0 229.304 2.951 50 0 BFAARN CCN(Cc1ncc(C)o1)c1cccc(CO)c1 ZINC000072598702 344242863 /nfs/dbraw/zinc/24/28/63/344242863.db2.gz SBSCXUQZBWQKOG-UHFFFAOYSA-N 0 0 246.310 2.502 50 0 BFAARN CCCC(=O)Nc1ccc(-c2cncnc2)cc1 ZINC000032561097 344427179 /nfs/dbraw/zinc/42/71/79/344427179.db2.gz SGBHKXNAEHXACB-UHFFFAOYSA-N 0 0 241.294 2.882 50 0 BFAARN O=C1N[C@@H](c2ccsc2)N2CCCC[C@H]12 ZINC000071967379 344471166 /nfs/dbraw/zinc/47/11/66/344471166.db2.gz WAENQLOOEBXYDO-NXEZZACHSA-N 0 0 222.313 2.571 50 0 BFAARN Cc1ccc(F)c(NC(=O)c2cccn2C)c1 ZINC000069008023 178674996 /nfs/dbraw/zinc/67/49/96/178674996.db2.gz TWJAZDPKSAEGGL-UHFFFAOYSA-N 0 0 232.258 2.725 50 0 BFAARN CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)[O-] ZINC000237030225 344562263 /nfs/dbraw/zinc/56/22/63/344562263.db2.gz LSXKWPWKWQZJNU-UONOGXRCSA-N 0 0 247.338 2.729 50 0 BFAARN Cc1cc(NC(=O)Nc2ccc(C)cc2)no1 ZINC000000139193 344565049 /nfs/dbraw/zinc/56/50/49/344565049.db2.gz PKLSEHPDSDVWKT-UHFFFAOYSA-N 0 0 231.255 2.935 50 0 BFAARN Cn1ccnc1[C@@H](O)c1cccc2ccccc21 ZINC000000184059 344604562 /nfs/dbraw/zinc/60/45/62/344604562.db2.gz OFTANOLWXSYUKW-AWEZNQCLSA-N 0 0 238.290 2.655 50 0 BFAARN C[C@H](C(=O)Nc1cccc(Cl)c1)n1cccn1 ZINC000024750663 344604662 /nfs/dbraw/zinc/60/46/62/344604662.db2.gz OUIKTESKKNQKNF-SECBINFHSA-N 0 0 249.701 2.736 50 0 BFAARN CC[C@@H](C)[C@@H]([NH2+]Cc1cccc(C)c1)C(=O)[O-] ZINC000000258973 344662271 /nfs/dbraw/zinc/66/22/71/344662271.db2.gz DFCDGYOQLIZVMK-DGCLKSJQSA-N 0 0 235.327 2.584 50 0 BFAARN C[C@H](CC(=O)NCc1ccccc1)[C@@H]1CCCO1 ZINC000000198741 344629246 /nfs/dbraw/zinc/62/92/46/344629246.db2.gz JCBJRIFKIORSDK-OCCSQVGLSA-N 0 0 247.338 2.508 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(C)cc2C)on1 ZINC000009113416 178751340 /nfs/dbraw/zinc/75/13/40/178751340.db2.gz HRLMKCTVXSGNSC-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN Cc1ccc(NC(=O)c2cccc(C)n2)cc1 ZINC000024253861 178753540 /nfs/dbraw/zinc/75/35/40/178753540.db2.gz ZCIXKHBQWSBTGP-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN COc1ccc(Cl)c(C(F)(F)F)n1 ZINC000238335407 345024939 /nfs/dbraw/zinc/02/49/39/345024939.db2.gz YPOMHKNIPBNSKB-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN COc1c(Cl)nccc1C(F)(F)F ZINC000238400785 345041138 /nfs/dbraw/zinc/04/11/38/345041138.db2.gz CDEVFUDJYGVBDT-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN Cc1ccc(O[C@@H](C)C2N=NC(=S)N2C)cc1 ZINC000002522208 178817609 /nfs/dbraw/zinc/81/76/09/178817609.db2.gz IJHSPALLUGDQLM-VIFPVBQESA-N 0 0 249.339 2.552 50 0 BFAARN C[C@H]([NH2+]CC1(C(=O)[O-])CC1)[C@@H](C)c1ccccc1 ZINC000577069535 365803951 /nfs/dbraw/zinc/80/39/51/365803951.db2.gz KGPHEDSSEXBDJB-NEPJUHHUSA-N 0 0 247.338 2.633 50 0 BFAARN CCc1nc(SCc2cccc(C)c2)n[nH]1 ZINC000011990827 345101094 /nfs/dbraw/zinc/10/10/94/345101094.db2.gz CQDBXTBUWRTKSB-UHFFFAOYSA-N 0 0 233.340 2.968 50 0 BFAARN Cc1ccc2c(Br)c[nH]c2n1 ZINC000016678059 178938133 /nfs/dbraw/zinc/93/81/33/178938133.db2.gz UUTGWFNTKXWYKP-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN C[C@H]1CC(C)(C)N(C)c2cc(O)c(C=O)cc21 ZINC000081223233 345900010 /nfs/dbraw/zinc/90/00/10/345900010.db2.gz RJXNFWFYOYFLIP-VIFPVBQESA-N 0 0 233.311 2.927 50 0 BFAARN Cc1oncc1CN1CCc2ccccc2C1 ZINC000185147048 345945904 /nfs/dbraw/zinc/94/59/04/345945904.db2.gz VFWPHSVXYREUQY-UHFFFAOYSA-N 0 0 228.295 2.541 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000685939490 537928223 /nfs/dbraw/zinc/92/82/23/537928223.db2.gz QCLFIMYJAVLOSV-JHEVNIALSA-N 0 0 221.344 2.727 50 0 BFAARN Cc1ccc(CCn2cc(F)ccc2=O)cc1 ZINC000190738336 345985713 /nfs/dbraw/zinc/98/57/13/345985713.db2.gz GCJWUYZZHSQFEU-UHFFFAOYSA-N 0 0 231.270 2.539 50 0 BFAARN CC(C)c1cccc(Cn2cc(F)ccc2=O)n1 ZINC000190731585 345986160 /nfs/dbraw/zinc/98/61/60/345986160.db2.gz QNYCYIVJNQQNKA-UHFFFAOYSA-N 0 0 246.285 2.554 50 0 BFAARN Cc1cccc([S@@](=O)Cc2ccccn2)c1 ZINC000191183254 345991602 /nfs/dbraw/zinc/99/16/02/345991602.db2.gz MQRHOUINTOTZQN-INIZCTEOSA-N 0 0 231.320 2.698 50 0 BFAARN CCN(Cc1csnn1)c1ccccc1 ZINC000191458938 346029424 /nfs/dbraw/zinc/02/94/24/346029424.db2.gz JTNKCLZTELHKQV-UHFFFAOYSA-N 0 0 219.313 2.565 50 0 BFAARN COc1ccc2[nH]c(=O)c3sccc3c2c1 ZINC000150292826 346169840 /nfs/dbraw/zinc/16/98/40/346169840.db2.gz GRFNKXDTGNQDOH-UHFFFAOYSA-N 0 0 231.276 2.751 50 0 BFAARN CC(C)CNC(=O)Nc1c[nH]c2ccccc12 ZINC000005299837 346182794 /nfs/dbraw/zinc/18/27/94/346182794.db2.gz HTIJNWJTZDUEIA-UHFFFAOYSA-N 0 0 231.299 2.945 50 0 BFAARN Cc1cccc(-n2ncc3ccccc3c2=O)c1 ZINC000000069884 179002458 /nfs/dbraw/zinc/00/24/58/179002458.db2.gz RNUJEBHWVPBPET-UHFFFAOYSA-N 0 0 236.274 2.694 50 0 BFAARN CCCCCCC(=O)Nc1cc(C)on1 ZINC000005461447 346233266 /nfs/dbraw/zinc/23/32/66/346233266.db2.gz LMFOKMUCGGRKFU-UHFFFAOYSA-N 0 0 210.277 2.892 50 0 BFAARN CCCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000005440437 346225553 /nfs/dbraw/zinc/22/55/53/346225553.db2.gz WOGDETCBCILGFP-UHFFFAOYSA-N 0 0 246.310 2.552 50 0 BFAARN CC[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000005593225 346266779 /nfs/dbraw/zinc/26/67/79/346266779.db2.gz VOZIYZAFDNZVQF-MNOVXSKESA-N 0 0 205.301 2.910 50 0 BFAARN Cc1ccc2[nH]c3c(c2c1)CCCC[C@@H]3C(N)=O ZINC000005418039 346266885 /nfs/dbraw/zinc/26/68/85/346266885.db2.gz BEGPLEUQYHEHLN-NSHDSACASA-N 0 0 242.322 2.772 50 0 BFAARN COC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000034409303 346267162 /nfs/dbraw/zinc/26/71/62/346267162.db2.gz LMMPYODKIVQSLD-SSDOTTSWSA-N 0 0 230.716 2.994 50 0 BFAARN Cc1ccc(C)n1NC(=O)c1cccc(C)c1 ZINC000000479751 179025699 /nfs/dbraw/zinc/02/56/99/179025699.db2.gz RWIPKXSLVKVSRA-UHFFFAOYSA-N 0 0 228.295 2.797 50 0 BFAARN Cc1cccc(C(=O)OCCCC(F)(F)F)n1 ZINC000157567166 179026260 /nfs/dbraw/zinc/02/62/60/179026260.db2.gz SZWRPCRATAYFRB-UHFFFAOYSA-N 0 0 247.216 2.889 50 0 BFAARN Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000000300311 179019370 /nfs/dbraw/zinc/01/93/70/179019370.db2.gz ALHHMPRUZZNJEH-UHFFFAOYSA-N 0 0 215.252 2.518 50 0 BFAARN CC[C@@H](C)NC(=O)/C=C/c1ccccc1OC ZINC000000472651 346277750 /nfs/dbraw/zinc/27/77/50/346277750.db2.gz CEIRLNQBZIIRHQ-PBQZMEPESA-N 0 0 233.311 2.623 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000005611228 346281082 /nfs/dbraw/zinc/28/10/82/346281082.db2.gz DJRKGPMTRJEWCF-RNCFNFMXSA-N 0 0 215.296 2.770 50 0 BFAARN Cc1cccc(C(=O)c2ccnc(C)c2)c1 ZINC000045038432 179027334 /nfs/dbraw/zinc/02/73/34/179027334.db2.gz WXYZENKQTXRCKG-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN Cc1cccc(C(=O)c2cc(C)ccn2)c1 ZINC000045028592 179027533 /nfs/dbraw/zinc/02/75/33/179027533.db2.gz JFKXJOKCKAQBPK-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN Cc1cccc(C)c1N1C(=O)CSC1=O ZINC000001383200 179039950 /nfs/dbraw/zinc/03/99/50/179039950.db2.gz RHCLHKZHXPIUPW-UHFFFAOYSA-N 0 0 221.281 2.503 50 0 BFAARN Cc1cccc(CC(=O)Nc2ccccn2)c1 ZINC000006715760 179052276 /nfs/dbraw/zinc/05/22/76/179052276.db2.gz UFHCIHSGOVXPBN-UHFFFAOYSA-N 0 0 226.279 2.571 50 0 BFAARN CCCC(=O)NCc1ccc(OC(F)F)cc1 ZINC000047531516 168552294 /nfs/dbraw/zinc/55/22/94/168552294.db2.gz RGRWFAKZAIICKB-UHFFFAOYSA-N 0 0 243.253 2.704 50 0 BFAARN CCCC(=O)NCc1c[nH]c2ccccc12 ZINC000041340924 168552471 /nfs/dbraw/zinc/55/24/71/168552471.db2.gz ZQHGNZFPFDGHPN-UHFFFAOYSA-N 0 0 216.284 2.584 50 0 BFAARN CCCC(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000096425694 168554134 /nfs/dbraw/zinc/55/41/34/168554134.db2.gz DGVODMMTDKYMDL-VIFPVBQESA-N 0 0 239.290 2.812 50 0 BFAARN Nc1ccc(-c2ccc(N)cc2F)cc1 ZINC000000345349 346413793 /nfs/dbraw/zinc/41/37/93/346413793.db2.gz XERAWPSPVRYXCU-UHFFFAOYSA-N 0 0 202.232 2.657 50 0 BFAARN Cc1cccc(CNC(=O)C(C)(C)C)c1 ZINC000044543817 179085676 /nfs/dbraw/zinc/08/56/76/179085676.db2.gz GYSMCSWMAYQPRF-UHFFFAOYSA-N 0 0 205.301 2.657 50 0 BFAARN Cc1cccc(CNC(=O)c2ccccc2N)c1 ZINC000001049483 179088923 /nfs/dbraw/zinc/08/89/23/179088923.db2.gz BRZWUEDKXGVXDV-UHFFFAOYSA-N 0 0 240.306 2.507 50 0 BFAARN CCSc1nc(C)c(CC(C)C)c(=O)[nH]1 ZINC000016552448 346503190 /nfs/dbraw/zinc/50/31/90/346503190.db2.gz OQGPCNSDOOEUAZ-UHFFFAOYSA-N 0 0 226.345 2.801 50 0 BFAARN CCCCCNC(=O)CCc1ccccc1 ZINC000002085861 346493395 /nfs/dbraw/zinc/49/33/95/346493395.db2.gz YOABAXQNDFFNSO-UHFFFAOYSA-N 0 0 219.328 2.926 50 0 BFAARN Cc1cccc(I)c1C ZINC000002168544 179110655 /nfs/dbraw/zinc/11/06/55/179110655.db2.gz DANMWBNOPFBJSZ-UHFFFAOYSA-N 0 0 232.064 2.908 50 0 BFAARN CCCC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000014019842 168561155 /nfs/dbraw/zinc/56/11/55/168561155.db2.gz MQHDKGRUXMMOCE-UHFFFAOYSA-N 0 0 235.283 2.520 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(C)cc2C)no1 ZINC000007610067 346545151 /nfs/dbraw/zinc/54/51/51/346545151.db2.gz BLBXPJDMVXVXBR-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN Cc1cccc(Cn2cccc(C)c2=O)c1 ZINC000069616025 179108977 /nfs/dbraw/zinc/10/89/77/179108977.db2.gz RYENQESJQWJROQ-UHFFFAOYSA-N 0 0 213.280 2.513 50 0 BFAARN CC(C)(C)SCCNC(=O)c1ccco1 ZINC000003170825 346554625 /nfs/dbraw/zinc/55/46/25/346554625.db2.gz KHNZGVINOUJJKA-UHFFFAOYSA-N 0 0 227.329 2.541 50 0 BFAARN Cc1cccc(N2C(=O)S[C@@H](C)C2=O)c1 ZINC000001318853 179120296 /nfs/dbraw/zinc/12/02/96/179120296.db2.gz MDYMMJLUNZZXGB-QMMMGPOBSA-N 0 0 221.281 2.583 50 0 BFAARN Cc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000000255098 179121994 /nfs/dbraw/zinc/12/19/94/179121994.db2.gz FKKIPNKONXXQNE-UHFFFAOYSA-N 0 0 237.258 2.796 50 0 BFAARN Cc1cccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000012977869 179136091 /nfs/dbraw/zinc/13/60/91/179136091.db2.gz LRMKRWOUKFDMSM-YPMHNXCESA-N 0 0 248.326 2.684 50 0 BFAARN Nc1cnc2cccc(C(F)(F)F)c2c1 ZINC000585672662 346652342 /nfs/dbraw/zinc/65/23/42/346652342.db2.gz KFCDFMFMGGNQLA-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN Cc1cccc(NC(=O)Nc2cnccn2)c1C ZINC000015933759 179137021 /nfs/dbraw/zinc/13/70/21/179137021.db2.gz AIGFIFAQCKBGFS-UHFFFAOYSA-N 0 0 242.282 2.737 50 0 BFAARN Cc1cccc(NC(=O)N2CC(C)C2)c1F ZINC000336403311 179130136 /nfs/dbraw/zinc/13/01/36/179130136.db2.gz TVZPCPLGQZGBSW-UHFFFAOYSA-N 0 0 222.263 2.618 50 0 BFAARN Cc1cccc(NC(=O)NC(C)(C)C)c1 ZINC000000396511 179133211 /nfs/dbraw/zinc/13/32/11/179133211.db2.gz LZRHYXLXIYPGPU-UHFFFAOYSA-N 0 0 206.289 2.915 50 0 BFAARN Cc1cccc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000017886035 179133480 /nfs/dbraw/zinc/13/34/80/179133480.db2.gz RDJGBTQABHBLSE-TXEJJXNPSA-N 0 0 248.326 2.636 50 0 BFAARN Cc1cccc(NC(=O)c2cc(F)ccc2F)n1 ZINC000000302318 179142268 /nfs/dbraw/zinc/14/22/68/179142268.db2.gz ZEXAPUGEUFFAOS-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN Cc1cccc(N[C@H](C)C(=O)N2CCCC2)c1C ZINC000057324368 179156165 /nfs/dbraw/zinc/15/61/65/179156165.db2.gz YJWUBECXPTZYFM-CYBMUJFWSA-N 0 0 246.354 2.726 50 0 BFAARN Cc1cccc(N[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000020312472 179156790 /nfs/dbraw/zinc/15/67/90/179156790.db2.gz NHVIHVYKHUXNSX-LLVKDONJSA-N 0 0 234.343 2.710 50 0 BFAARN CCCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000013007252 168564603 /nfs/dbraw/zinc/56/46/03/168564603.db2.gz QCOQBWJHUWBKDL-UHFFFAOYSA-N 0 0 243.209 2.747 50 0 BFAARN Cc1cccc(N[C@@H](C)C[C@@H](O)c2ccco2)n1 ZINC000097096517 179153140 /nfs/dbraw/zinc/15/31/40/179153140.db2.gz FUMYGTDTCJEEJB-NWDGAFQWSA-N 0 0 246.310 2.907 50 0 BFAARN Cc1cccc(OCCNC(=O)C(C)(C)C)c1 ZINC000056825657 179168430 /nfs/dbraw/zinc/16/84/30/179168430.db2.gz ZSGVJJXNBLQLFG-UHFFFAOYSA-N 0 0 235.327 2.536 50 0 BFAARN Cc1cccc2c(=O)n(CC3CCC3)cnc12 ZINC000089689039 179208084 /nfs/dbraw/zinc/20/80/84/179208084.db2.gz OBFGPYHYADKXFX-UHFFFAOYSA-N 0 0 228.295 2.505 50 0 BFAARN Cc1cccc([C@H](NC(N)=O)c2ccccc2)c1 ZINC000000437671 179202719 /nfs/dbraw/zinc/20/27/19/179202719.db2.gz IWCPEIGEKXEZCI-CQSZACIVSA-N 0 0 240.306 2.753 50 0 BFAARN CCN(CC)C(=O)c1cc(Cl)ccc1O ZINC000019837018 347359813 /nfs/dbraw/zinc/35/98/13/347359813.db2.gz UXYVAZTWLJBBRL-UHFFFAOYSA-N 0 0 227.691 2.528 50 0 BFAARN Cc1cccc2c1C(=O)N(C)[C@H](c1ccco1)N2 ZINC000069349532 179213664 /nfs/dbraw/zinc/21/36/64/179213664.db2.gz CJXLIGFCPGTOOI-CYBMUJFWSA-N 0 0 242.278 2.784 50 0 BFAARN Cc1ccccc1-c1nc(C=O)cs1 ZINC000019723114 179237831 /nfs/dbraw/zinc/23/78/31/179237831.db2.gz DQAYNZAXEWVCBG-UHFFFAOYSA-N 0 0 203.266 2.931 50 0 BFAARN C[C@H](C(=O)Nc1ccc(Cl)cc1)n1cccn1 ZINC000012849793 347473988 /nfs/dbraw/zinc/47/39/88/347473988.db2.gz NOCJBJFNTBJRDM-SECBINFHSA-N 0 0 249.701 2.736 50 0 BFAARN Cc1ccccc1C(=O)N1CCC[C@H]1CF ZINC000294117134 179247025 /nfs/dbraw/zinc/24/70/25/179247025.db2.gz PIRWYKHBYBCBDY-NSHDSACASA-N 0 0 221.275 2.569 50 0 BFAARN Cc1ccccc1-c1nnc([C@@H]2CCCO2)o1 ZINC000064556855 179239191 /nfs/dbraw/zinc/23/91/91/179239191.db2.gz PVUJWFJLQKZXBS-NSHDSACASA-N 0 0 230.267 2.897 50 0 BFAARN Cc1ccccc1C(=O)N[C@H](C)Cc1ccoc1 ZINC000084827367 179252067 /nfs/dbraw/zinc/25/20/67/179252067.db2.gz LZCMJBGHVLXVBH-GFCCVEGCSA-N 0 0 243.306 2.949 50 0 BFAARN Cc1ccccc1C(=O)Nc1ccccc1CO ZINC000000432131 179252645 /nfs/dbraw/zinc/25/26/45/179252645.db2.gz CNUFXBSBBYLDOI-UHFFFAOYSA-N 0 0 241.290 2.740 50 0 BFAARN Cc1ccccc1C(=O)c1cnccc1C ZINC000045028987 179253954 /nfs/dbraw/zinc/25/39/54/179253954.db2.gz KJXAHHMVZCTKLU-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN CCc1ccsc1C(=O)Nc1nccc(C)n1 ZINC000194650086 347572336 /nfs/dbraw/zinc/57/23/36/347572336.db2.gz AJRBTIXBBURQTO-UHFFFAOYSA-N 0 0 247.323 2.661 50 0 BFAARN Cc1ccccc1CC(=O)Nc1ccccc1O ZINC000009478212 179260448 /nfs/dbraw/zinc/26/04/48/179260448.db2.gz RSVTWNDKJLXHFB-UHFFFAOYSA-N 0 0 241.290 2.882 50 0 BFAARN Cc1ccccc1CCCn1ccnc1 ZINC000175916059 179263266 /nfs/dbraw/zinc/26/32/66/179263266.db2.gz JQRCBTMQKBVASF-UHFFFAOYSA-N 0 0 200.285 2.824 50 0 BFAARN Cc1ccoc1C(=O)NCCc1ccccc1C ZINC000021668879 179265783 /nfs/dbraw/zinc/26/57/83/179265783.db2.gz IBPWWIYXLJXUBF-UHFFFAOYSA-N 0 0 243.306 2.869 50 0 BFAARN Cc1ccc2c(c1)CCN(C(=O)[C@H]1C[C@@H]1C)C2 ZINC000195579992 347641849 /nfs/dbraw/zinc/64/18/49/347641849.db2.gz ORPIDZYVJJRZGX-FZMZJTMJSA-N 0 0 229.323 2.536 50 0 BFAARN CC(C)(C)CCS[C@H]1CCN(C2CC2)C1=O ZINC000195573129 347647821 /nfs/dbraw/zinc/64/78/21/347647821.db2.gz GVTUOINUQMVLQT-NSHDSACASA-N 0 0 241.400 2.919 50 0 BFAARN Cc1ccccc1CN(C)C(=O)C(C)(C)C ZINC000033000252 179267397 /nfs/dbraw/zinc/26/73/97/179267397.db2.gz HLSMHGNXAWQLKM-UHFFFAOYSA-N 0 0 219.328 3.000 50 0 BFAARN CCN(Cc1cncnc1)c1ccccc1C ZINC000195579111 347648334 /nfs/dbraw/zinc/64/83/34/347648334.db2.gz UIAYXTHFVXSEKA-UHFFFAOYSA-N 0 0 227.311 2.812 50 0 BFAARN Oc1cccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000195575997 347648503 /nfs/dbraw/zinc/64/85/03/347648503.db2.gz GXSAMNBVLABXQA-MJBXVCDLSA-N 0 0 245.322 2.762 50 0 BFAARN CC(C)N(C)C(=O)N(C)C[C@@H]1CC=CCC1 ZINC000195577642 347648592 /nfs/dbraw/zinc/64/85/92/347648592.db2.gz KAIWYPANPHSZBB-GFCCVEGCSA-N 0 0 224.348 2.735 50 0 BFAARN Fc1c2c(ccc1Br)CCN2 ZINC000150111081 347652332 /nfs/dbraw/zinc/65/23/32/347652332.db2.gz BJRQVQHXICYZMC-UHFFFAOYSA-N 0 0 216.053 2.556 50 0 BFAARN Cc1ccccc1CNC(=O)c1cccs1 ZINC000010824752 179281557 /nfs/dbraw/zinc/28/15/57/179281557.db2.gz IKKGFAYRMXDLRW-UHFFFAOYSA-N 0 0 231.320 2.987 50 0 BFAARN Cc1ccccc1CNC(=O)CC(F)(F)F ZINC000040496683 179278821 /nfs/dbraw/zinc/27/88/21/179278821.db2.gz VAQLTKPPWRDETR-UHFFFAOYSA-N 0 0 231.217 2.564 50 0 BFAARN Cc1ccccc1NC(=O)NCc1cccnc1 ZINC000000395434 179300940 /nfs/dbraw/zinc/30/09/40/179300940.db2.gz XJXBEHAMLROIMQ-UHFFFAOYSA-N 0 0 241.294 2.712 50 0 BFAARN Cc1ccccc1NC(=O)NCc1ccoc1 ZINC000047687836 179301071 /nfs/dbraw/zinc/30/10/71/179301071.db2.gz FBGIMUQOIQGORJ-UHFFFAOYSA-N 0 0 230.267 2.910 50 0 BFAARN Cc1ccccc1NC(=O)c1ccccc1N ZINC000000122619 179302978 /nfs/dbraw/zinc/30/29/78/179302978.db2.gz UOXHTELQAYPDBQ-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN Cc1ccccc1NC(=O)c1ccccn1 ZINC000003013917 179303892 /nfs/dbraw/zinc/30/38/92/179303892.db2.gz VVHRBLBIJAKJAM-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN Cc1ccccc1Oc1ncnc(Cl)c1N ZINC000040428531 179314659 /nfs/dbraw/zinc/31/46/59/179314659.db2.gz IJYDVOSBFYFREW-UHFFFAOYSA-N 0 0 235.674 2.813 50 0 BFAARN Cc1ccccc1O[C@@H](C)C1N=NC(=S)N1C ZINC000002522213 179313206 /nfs/dbraw/zinc/31/32/06/179313206.db2.gz OKBATRZDTGFJBZ-VIFPVBQESA-N 0 0 249.339 2.552 50 0 BFAARN Cc1ccccc1[C@@H](NC(N)=O)c1ccccc1 ZINC000000436942 179324762 /nfs/dbraw/zinc/32/47/62/179324762.db2.gz VLBUUPJRYPTPGB-AWEZNQCLSA-N 0 0 240.306 2.753 50 0 BFAARN Cc1ccccc1[C@@H]1CCC[N@@H+]1CCC(=O)[O-] ZINC000012398734 179329141 /nfs/dbraw/zinc/32/91/41/179329141.db2.gz HORNFGWOGGJQJS-ZDUSSCGKSA-N 0 0 233.311 2.607 50 0 BFAARN Cc1ccccc1[C@H](C)NC(=O)[C@@H]1C[C@@H]1C ZINC000032978734 179335370 /nfs/dbraw/zinc/33/53/70/179335370.db2.gz ZVUZXWSXXTVAGZ-GMXVVIOVSA-N 0 0 217.312 2.828 50 0 BFAARN Cc1ccccc1[C@H]1CCC[N@@H+]1CCC(=O)[O-] ZINC000012398735 179346601 /nfs/dbraw/zinc/34/66/01/179346601.db2.gz HORNFGWOGGJQJS-CYBMUJFWSA-N 0 0 233.311 2.607 50 0 BFAARN Cc1ccccc1[S@@](=O)c1ccccn1 ZINC000005784829 179352117 /nfs/dbraw/zinc/35/21/17/179352117.db2.gz AUARSJQNSXZDJK-HNNXBMFYSA-N 0 0 217.293 2.557 50 0 BFAARN Cc1cccn2c1ncc(-c1ccccc1)c2=O ZINC000020096670 179353875 /nfs/dbraw/zinc/35/38/75/179353875.db2.gz VZAMRDJRQNUTKF-UHFFFAOYSA-N 0 0 236.274 2.670 50 0 BFAARN Cc1cccnc1C(=O)c1cc(F)cc(F)c1 ZINC000045028693 179366628 /nfs/dbraw/zinc/36/66/28/179366628.db2.gz NFGJJDZUAOVUET-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CC[C@]1(C(=O)OC)O[C@@]1(C)c1ccc(C)s1 ZINC000669382355 537999406 /nfs/dbraw/zinc/99/94/06/537999406.db2.gz GPSUPBKLCLTVKN-NWDGAFQWSA-N 0 0 240.324 2.624 50 0 BFAARN CC[C@@]1(C(=O)OC)O[C@]1(C)C1CCCCC1 ZINC000669382217 538000555 /nfs/dbraw/zinc/00/05/55/538000555.db2.gz BSXVWPOBRGBAOH-OLZOCXBDSA-N 0 0 226.316 2.677 50 0 BFAARN Cc1cccnc1NC(=O)[C@@H]1CC=CCC1 ZINC000027650617 179392956 /nfs/dbraw/zinc/39/29/56/179392956.db2.gz WTCQVHPBQOZBAK-LLVKDONJSA-N 0 0 216.284 2.685 50 0 BFAARN Cc1cccnc1NC(=O)c1ccsc1 ZINC000027651328 179393558 /nfs/dbraw/zinc/39/35/58/179393558.db2.gz VTGBUUOCSFURAM-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN C[C@H](CC(F)F)C(=O)N1CCCCCC1 ZINC000334802778 133748882 /nfs/dbraw/zinc/74/88/82/133748882.db2.gz BPFFLMGNQYYNHM-SECBINFHSA-N 0 0 219.275 2.680 50 0 BFAARN Cc1ccsc1CNC(=O)CC(F)(F)F ZINC000044909752 179545615 /nfs/dbraw/zinc/54/56/15/179545615.db2.gz GAGYLUNJJSRGKT-UHFFFAOYSA-N 0 0 237.246 2.625 50 0 BFAARN Cc1cnc(C(=O)Oc2ccc(Cl)cc2)cn1 ZINC000007656740 179577750 /nfs/dbraw/zinc/57/77/50/179577750.db2.gz DQXCGMXZOWHKSH-UHFFFAOYSA-N 0 0 248.669 2.658 50 0 BFAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CC2(C)C)cc1 ZINC000000161223 187407590 /nfs/dbraw/zinc/40/75/90/187407590.db2.gz DKTKFFPWQPSKAM-GFCCVEGCSA-N 0 0 246.310 2.630 50 0 BFAARN Cc1cc(Br)c(NC=O)cc1C ZINC000000461689 187408170 /nfs/dbraw/zinc/40/81/70/187408170.db2.gz HHKXSOLGVBKPDA-UHFFFAOYSA-N 0 0 228.089 2.634 50 0 BFAARN COc1ccc(C(=O)Cc2cccnc2)cc1 ZINC000001675476 187409628 /nfs/dbraw/zinc/40/96/28/187409628.db2.gz NDBVHXUNBUTGKJ-UHFFFAOYSA-N 0 0 227.263 2.516 50 0 BFAARN CC(C)N(C(=O)c1cc(Cl)ccn1)C(C)C ZINC000014400956 187415072 /nfs/dbraw/zinc/41/50/72/187415072.db2.gz VMNWYVODDVOFPF-UHFFFAOYSA-N 0 0 240.734 2.994 50 0 BFAARN CC(C)C[C@@H]([NH2+]C/C=C/c1ccccc1)C(=O)[O-] ZINC000041689558 187429296 /nfs/dbraw/zinc/42/92/96/187429296.db2.gz NALTXKUJVSJCET-VIIAAUOXSA-N 0 0 247.338 2.789 50 0 biogenic BFAARN Cc1csc(NC(=O)C2CCCCC2)n1 ZINC000000363454 179784605 /nfs/dbraw/zinc/78/46/05/179784605.db2.gz DMFWWHOSYWOMMW-UHFFFAOYSA-N 0 0 224.329 2.970 50 0 BFAARN Cc1csc2nc(-c3ccc(N)cc3)cn12 ZINC000019767255 179799170 /nfs/dbraw/zinc/79/91/70/179799170.db2.gz YLXIYXBSYJWFEB-UHFFFAOYSA-N 0 0 229.308 2.953 50 0 BFAARN Cc1csc2[nH]c(-c3ccoc3)nc(=O)c12 ZINC000089708865 179800338 /nfs/dbraw/zinc/80/03/38/179800338.db2.gz FEAOCBIITGLXFJ-UHFFFAOYSA-N 0 0 232.264 2.553 50 0 BFAARN COc1cc(C)c(Br)cc1C=O ZINC000083825901 190996533 /nfs/dbraw/zinc/99/65/33/190996533.db2.gz XPPKFEJWOOFGIK-UHFFFAOYSA-N 0 0 229.073 2.579 50 0 BFAARN O=C([O-])c1c[nH+]ccc1Nc1ccccc1 ZINC000088109608 191000760 /nfs/dbraw/zinc/00/07/60/191000760.db2.gz YRZXKFNAQGSFCB-UHFFFAOYSA-N 0 0 214.224 2.523 50 0 BFAARN CC(=O)N[C@H](C)Cc1ccc2ccccc2c1 ZINC000065566197 191001739 /nfs/dbraw/zinc/00/17/39/191001739.db2.gz KPODCKYIWDFSMT-LLVKDONJSA-N 0 0 227.307 2.907 50 0 BFAARN Cc1nc(CN(C#N)c2ccc(F)cc2)oc1C ZINC000225643521 179942998 /nfs/dbraw/zinc/94/29/98/179942998.db2.gz QRGIQYAMIRFBHI-UHFFFAOYSA-N 0 0 245.257 2.918 50 0 BFAARN Cc1cc(C=O)cnc1OCc1ccccc1 ZINC000072222372 191004093 /nfs/dbraw/zinc/00/40/93/191004093.db2.gz SCFXNUHBYMZNFF-UHFFFAOYSA-N 0 0 227.263 2.782 50 0 BFAARN Cc1nc(COC(=O)c2ccoc2)sc1C ZINC000096442714 179977769 /nfs/dbraw/zinc/97/77/69/179977769.db2.gz FGYZRWZYBGJUPE-UHFFFAOYSA-N 0 0 237.280 2.710 50 0 BFAARN Cc1nc(COc2ccc3c(c2)OCO3)oc1C ZINC000048354528 179979296 /nfs/dbraw/zinc/97/92/96/179979296.db2.gz NTYDAWDXJNSBRG-UHFFFAOYSA-N 0 0 247.250 2.599 50 0 BFAARN Cc1noc2nc(C)nc(NC3CCCCC3)c12 ZINC000035479105 180016320 /nfs/dbraw/zinc/01/63/20/180016320.db2.gz YRQBNOJCOCADAC-UHFFFAOYSA-N 0 0 246.314 2.979 50 0 BFAARN Cc1nc2c(cnn2-c2ccccc2)c(Cl)n1 ZINC000034606975 179987605 /nfs/dbraw/zinc/98/76/05/179987605.db2.gz MYSCWILCMCCGFB-UHFFFAOYSA-N 0 0 244.685 2.777 50 0 BFAARN Cc1nc([C@H]2CCCN2Cc2ccccc2)no1 ZINC000075573191 180056438 /nfs/dbraw/zinc/05/64/38/180056438.db2.gz SJRPQICGKXUZJZ-CYBMUJFWSA-N 0 0 243.310 2.715 50 0 BFAARN Cc1nc2c(s1)c(-c1cccs1)n[nH]c2=O ZINC000026421208 180065527 /nfs/dbraw/zinc/06/55/27/180065527.db2.gz PAEYUXIRLLZFOW-UHFFFAOYSA-N 0 0 249.320 2.829 50 0 BFAARN Cc1nc2c(F)cccc2c2c1COC2 ZINC000012950655 180065570 /nfs/dbraw/zinc/06/55/70/180065570.db2.gz JKCDKWGKHYLOCP-UHFFFAOYSA-N 0 0 203.216 2.713 50 0 BFAARN O=C(NCCCc1cc2ccccc2o1)C1CC1 ZINC000390832192 350133913 /nfs/dbraw/zinc/13/39/13/350133913.db2.gz XXLJOWSQLACUGF-UHFFFAOYSA-N 0 0 243.306 2.892 50 0 BFAARN Fc1cccc(I)c1F ZINC000058129799 187438772 /nfs/dbraw/zinc/43/87/72/187438772.db2.gz QXVGWYWOARYLCY-UHFFFAOYSA-N 0 0 239.990 2.569 50 0 BFAARN Cc1nc2cccc(Br)c2o1 ZINC000062525714 180099299 /nfs/dbraw/zinc/09/92/99/180099299.db2.gz BKDLGCJXIKUIRB-UHFFFAOYSA-N 0 0 212.046 2.899 50 0 BFAARN Cc1nc2ccccc2nc1SCC(C)(C)O ZINC000071914712 180105498 /nfs/dbraw/zinc/10/54/98/180105498.db2.gz PGXSAMCMLKZLOY-UHFFFAOYSA-N 0 0 248.351 2.801 50 0 BFAARN Cc1ncc(CNc2cncc(F)c2)s1 ZINC000300945598 180160403 /nfs/dbraw/zinc/16/04/03/180160403.db2.gz SSOIKBIBPGCZFT-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN CCCCC(=O)NCc1ccc(OC)cc1 ZINC000002774521 168620241 /nfs/dbraw/zinc/62/02/41/168620241.db2.gz RBTLWMKJLGFVHU-UHFFFAOYSA-N 0 0 221.300 2.502 50 0 BFAARN Cc1ncccc1OC(=O)OC(C)(C)C ZINC000096005812 180228535 /nfs/dbraw/zinc/22/85/35/180228535.db2.gz RZJUDYPSWRQSPU-UHFFFAOYSA-N 0 0 209.245 2.704 50 0 BFAARN CSCC(=O)c1ccccc1Br ZINC000038064060 350301809 /nfs/dbraw/zinc/30/18/09/350301809.db2.gz VNYIDIADJRGNLW-UHFFFAOYSA-N 0 0 245.141 2.995 50 0 BFAARN Cc1nccnc1SCc1ccoc1 ZINC000000404072 180280283 /nfs/dbraw/zinc/28/02/83/180280283.db2.gz JFHOJNODOBNELT-UHFFFAOYSA-N 0 0 206.270 2.670 50 0 BFAARN C[C@H](Cc1ccco1)NC(=O)C1CCCC1 ZINC000040050125 350350312 /nfs/dbraw/zinc/35/03/12/350350312.db2.gz ZUTFXBSEUOIYDS-SNVBAGLBSA-N 0 0 221.300 2.517 50 0 BFAARN Cc1ccc([C@H](O)c2cccnc2)c(C)c1 ZINC000040245916 350358793 /nfs/dbraw/zinc/35/87/93/350358793.db2.gz FBDWWVRLLVSNBV-CQSZACIVSA-N 0 0 213.280 2.780 50 0 BFAARN Cc1ncsc1NC(=O)OC(C)(C)C ZINC000075772239 180325437 /nfs/dbraw/zinc/32/54/37/180325437.db2.gz ZDLXOTJGULGSFG-UHFFFAOYSA-N 0 0 214.290 2.799 50 0 BFAARN Nc1ccccc1/C=C1\c2ccccc2NC1=O ZINC000001402243 350393606 /nfs/dbraw/zinc/39/36/06/350393606.db2.gz XVNZRLIIZWMRDT-FMIVXFBMSA-N 0 0 236.274 2.762 50 0 BFAARN Cc1nn(C)c(C)c1NC(=O)C1CCCCC1 ZINC000012985324 180341855 /nfs/dbraw/zinc/34/18/55/180341855.db2.gz RCAONCVDRZBIGX-UHFFFAOYSA-N 0 0 235.331 2.556 50 0 BFAARN Cc1nn(C)c(C)c1NC(=O)CC1CCCC1 ZINC000022837815 180341332 /nfs/dbraw/zinc/34/13/32/180341332.db2.gz QIAHGUPBRBHRRQ-UHFFFAOYSA-N 0 0 235.331 2.556 50 0 BFAARN CCCCC(=O)Nc1nc2ccccc2[nH]1 ZINC000005939325 168629733 /nfs/dbraw/zinc/62/97/33/168629733.db2.gz PUFADSOXAIVDSB-UHFFFAOYSA-N 0 0 217.272 2.692 50 0 BFAARN CCCC(=O)N1c2ccccc2C[C@@H]1C ZINC000032975271 350442868 /nfs/dbraw/zinc/44/28/68/350442868.db2.gz AVJJSASRFBUZRJ-JTQLQIEISA-N 0 0 203.285 2.764 50 0 BFAARN Cc1nc(N2CCCCC2)cc(C(F)(F)F)n1 ZINC000642225126 362958578 /nfs/dbraw/zinc/95/85/78/362958578.db2.gz WYBORRZLVRAXHJ-UHFFFAOYSA-N 0 0 245.248 2.794 50 0 BFAARN Cc1[nH]n(CC(C)C)c2nc(-c3ccco3)nc1-2 ZINC000020774426 180385954 /nfs/dbraw/zinc/38/59/54/180385954.db2.gz OEBOKJSYDDXTOP-UHFFFAOYSA-N 0 0 244.298 2.984 50 0 BFAARN C[C@@H]1CCC[C@H](OCC(=O)N2CCCCC2)C1 ZINC000089927334 362964228 /nfs/dbraw/zinc/96/42/28/362964228.db2.gz AMKNCCICPVHDHK-OLZOCXBDSA-N 0 0 239.359 2.594 50 0 BFAARN Cc1ccccc1[C@H](O)CSc1nccn1C ZINC000076081910 362966966 /nfs/dbraw/zinc/96/69/66/362966966.db2.gz RWBCVXIXIGTZSS-GFCCVEGCSA-N 0 0 248.351 2.554 50 0 BFAARN COc1ccc(Cn2nc(C)cc2C)cc1 ZINC000095348121 187454424 /nfs/dbraw/zinc/45/44/24/187454424.db2.gz VIZJDHJZSGBKJE-UHFFFAOYSA-N 0 0 216.284 2.557 50 0 BFAARN Cc1noc(C)c1C(=O)Oc1ccccc1 ZINC000000111946 180465005 /nfs/dbraw/zinc/46/50/05/180465005.db2.gz FWDLVGICVCPXRR-UHFFFAOYSA-N 0 0 217.224 2.511 50 0 BFAARN Cc1noc(COc2ccc(F)c(Cl)c2)n1 ZINC000070007573 180490629 /nfs/dbraw/zinc/49/06/29/180490629.db2.gz YHAYLMCHONJRKE-UHFFFAOYSA-N 0 0 242.637 2.750 50 0 BFAARN C/C=C/C=C/C(=O)N[C@@H]1CCC[C@@H]1SCC ZINC000104206844 191119026 /nfs/dbraw/zinc/11/90/26/191119026.db2.gz ZOZDWJYAVDBLRD-HHEBQIQXSA-N 0 0 239.384 2.909 50 0 BFAARN Cc1noc2ccc(Br)cc12 ZINC000083297274 180501544 /nfs/dbraw/zinc/50/15/44/180501544.db2.gz ITZVIXFFWVROPH-UHFFFAOYSA-N 0 0 212.046 2.899 50 0 BFAARN Cc1oc(C)c(C(=O)NCCc2ccco2)c1C ZINC000012889793 180530966 /nfs/dbraw/zinc/53/09/66/180530966.db2.gz MKOGKZJOMUVNKU-UHFFFAOYSA-N 0 0 247.294 2.770 50 0 BFAARN COC(=O)C1OC=C(c2ccc(F)cc2)O1 ZINC000211012308 350935433 /nfs/dbraw/zinc/93/54/33/350935433.db2.gz CVIDTIIMEJLNHL-ZHACJKMWSA-N 0 0 224.187 2.502 50 0 BFAARN Cc1oc(-c2cccs2)nc1Cn1cccn1 ZINC000071913913 180527434 /nfs/dbraw/zinc/52/74/34/180527434.db2.gz UMDPPVRMRHEKIK-UHFFFAOYSA-N 0 0 245.307 2.956 50 0 BFAARN Cc1occc1C(=O)NCc1cccs1 ZINC000000473380 180538114 /nfs/dbraw/zinc/53/81/14/180538114.db2.gz LRORMQGPIKXOHF-UHFFFAOYSA-N 0 0 221.281 2.580 50 0 BFAARN Cc1ccc(NC(=O)c2ccco2)c(O)c1 ZINC000001017071 350979054 /nfs/dbraw/zinc/97/90/54/350979054.db2.gz OJXFGOLAPIKVGO-UHFFFAOYSA-N 0 0 217.224 2.546 50 0 BFAARN Cc1occc1SCC[C@@H]1CCOC1=O ZINC000131433991 180543710 /nfs/dbraw/zinc/54/37/10/180543710.db2.gz CVDGRWDLVSGXQQ-VIFPVBQESA-N 0 0 226.297 2.633 50 0 BFAARN Cc1ocnc1C(=O)O[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000153188321 362989249 /nfs/dbraw/zinc/98/92/49/362989249.db2.gz BAIDLEJPJNDPQY-FXPVBKGRSA-N 0 0 237.299 2.965 50 0 BFAARN CC(=O)N/C(=C\c1ccccc1)c1ccncc1 ZINC000211173652 351059585 /nfs/dbraw/zinc/05/95/85/351059585.db2.gz ULPZGKIBGCELCI-PTNGSMBKSA-N 0 0 238.290 2.716 50 0 BFAARN Clc1cc(Br)cc2c1OCO2 ZINC000164366051 180574419 /nfs/dbraw/zinc/57/44/19/180574419.db2.gz JBMQHJLNVUKDHJ-UHFFFAOYSA-N 0 0 235.464 2.831 50 0 BFAARN Clc1cc(Cl)cc(Nc2nc[nH]n2)c1 ZINC000008656614 180575471 /nfs/dbraw/zinc/57/54/71/180575471.db2.gz RQLPFLQMVKGPGU-UHFFFAOYSA-N 0 0 229.070 2.855 50 0 BFAARN Clc1ccc(CC2OCCO2)c(Cl)c1 ZINC000002529054 180578903 /nfs/dbraw/zinc/57/89/03/180578903.db2.gz MQYHTKTVUAVEHE-UHFFFAOYSA-N 0 0 233.094 2.909 50 0 BFAARN Clc1ccc(NCc2cccnc2)cn1 ZINC000095440943 180583132 /nfs/dbraw/zinc/58/31/32/180583132.db2.gz LFGOWMXRRGCRGC-UHFFFAOYSA-N 0 0 219.675 2.742 50 0 BFAARN Clc1cccc(NCc2ccco2)n1 ZINC000042783990 180590951 /nfs/dbraw/zinc/59/09/51/180590951.db2.gz IHDLXJVOVJWCJQ-UHFFFAOYSA-N 0 0 208.648 2.940 50 0 BFAARN Clc1ccccc1Nc1ncnc2n[nH]cc21 ZINC000031809538 180596360 /nfs/dbraw/zinc/59/63/60/180596360.db2.gz CVQOYEGKYPCGAO-UHFFFAOYSA-N 0 0 245.673 2.750 50 0 BFAARN Clc1ncc(Br)c(Cl)n1 ZINC000001559999 180601491 /nfs/dbraw/zinc/60/14/91/180601491.db2.gz SIKXIUWKPGWBBF-UHFFFAOYSA-N 0 0 227.876 2.546 50 0 in-vitro BFAARN Clc1nc(-c2cccs2)ns1 ZINC000000166681 180601211 /nfs/dbraw/zinc/60/12/11/180601211.db2.gz MRMAZVGSIMWZOZ-UHFFFAOYSA-N 0 0 202.691 2.920 50 0 BFAARN Clc1ccccc1CNc1ccon1 ZINC000083345597 180594799 /nfs/dbraw/zinc/59/47/99/180594799.db2.gz HHEJULHPXCMDAQ-UHFFFAOYSA-N 0 0 208.648 2.940 50 0 BFAARN COc1ccccc1CNCc1cc(C)ns1 ZINC000404502289 351485696 /nfs/dbraw/zinc/48/56/96/351485696.db2.gz YRRPDZMJEFYMMU-UHFFFAOYSA-N 0 0 248.351 2.750 50 0 BFAARN Clc1nnc(Cl)c2sccc21 ZINC000011919435 180604132 /nfs/dbraw/zinc/60/41/32/180604132.db2.gz YGYFCYSNQMVWKS-UHFFFAOYSA-N 0 0 205.069 2.998 50 0 BFAARN CCOc1cc2c(cc1OCC)C(C)=NCC2 ZINC000002512259 363077586 /nfs/dbraw/zinc/07/75/86/363077586.db2.gz IOPIDDLIIVFOGD-UHFFFAOYSA-N 0 0 233.311 2.849 50 0 BFAARN Cn1c(Cl)cnc1CNc1ccccc1F ZINC000036804499 180620188 /nfs/dbraw/zinc/62/01/88/180620188.db2.gz ONXDZMDHADBBBZ-UHFFFAOYSA-N 0 0 239.681 2.825 50 0 BFAARN Cn1c2ccccc2nc1[C@@H](O)c1ccccc1 ZINC000000499289 180624403 /nfs/dbraw/zinc/62/44/03/180624403.db2.gz XYXZIVDSZIRGFM-AWEZNQCLSA-N 0 0 238.290 2.655 50 0 BFAARN Cn1cc(C=O)c2cc(Br)ccc21 ZINC000000270396 180636158 /nfs/dbraw/zinc/63/61/58/180636158.db2.gz NZJJLQUTQOICBN-UHFFFAOYSA-N 0 0 238.084 2.753 50 0 BFAARN Cn1cc(N)c(Oc2ccc(Cl)c(F)c2)n1 ZINC000095836581 180655326 /nfs/dbraw/zinc/65/53/26/180655326.db2.gz NBKAPIIPULLYGQ-UHFFFAOYSA-N 0 0 241.653 2.587 50 0 BFAARN Cc1cccc(NC(=O)c2ccc(C)nc2)c1 ZINC000032895343 187537190 /nfs/dbraw/zinc/53/71/90/187537190.db2.gz PBELECUAGKXCNP-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN CCOc1ccccc1CCC(=O)N1CCCC1 ZINC000044869067 352468525 /nfs/dbraw/zinc/46/85/25/352468525.db2.gz OMQCNCSZWAZUBR-UHFFFAOYSA-N 0 0 247.338 2.640 50 0 BFAARN Cc1csc(NC(=O)c2cc(Cl)c[nH]2)n1 ZINC000044872237 352469813 /nfs/dbraw/zinc/46/98/13/352469813.db2.gz LSLQUOMRBQFNPE-UHFFFAOYSA-N 0 0 241.703 2.685 50 0 BFAARN Cn1cc(C(=O)N2CCCCC2)c2ccccc21 ZINC000004054177 352555080 /nfs/dbraw/zinc/55/50/80/352555080.db2.gz CAIMODZTAIIUJX-UHFFFAOYSA-N 0 0 242.322 2.804 50 0 BFAARN CC(=O)Nc1ccc2c(c1)-c1ccccc1C2=O ZINC000000398881 187755769 /nfs/dbraw/zinc/75/57/69/187755769.db2.gz DREYCDVKXGSLCN-UHFFFAOYSA-N 0 0 237.258 2.856 50 0 BFAARN CC(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000005900026 187758365 /nfs/dbraw/zinc/75/83/65/187758365.db2.gz HRLZLKKZIFBYPI-UHFFFAOYSA-N 0 0 218.083 2.630 50 0 BFAARN CC1(C)c2cc(O)ccc2O[C@H]1N1CCCCC1 ZINC000039391718 187773830 /nfs/dbraw/zinc/77/38/30/187773830.db2.gz ITRLVVKTHRNGDT-CQSZACIVSA-N 0 0 247.338 2.874 50 0 BFAARN Cc1ccc(OCCNC(=O)C(C)(C)C)cc1C ZINC000071385065 187786819 /nfs/dbraw/zinc/78/68/19/187786819.db2.gz NXMVYFWFMHISDB-UHFFFAOYSA-N 0 0 249.354 2.845 50 0 BFAARN CC(=O)N(Cc1cccs1)Cc1cccn1C ZINC000049521709 187806907 /nfs/dbraw/zinc/80/69/07/187806907.db2.gz BCBZNUFWLFYBAO-UHFFFAOYSA-N 0 0 248.351 2.635 50 0 BFAARN Cc1csc(-c2ccc(C=O)cc2)n1 ZINC000019779337 352728710 /nfs/dbraw/zinc/72/87/10/352728710.db2.gz CBYYKPBMBIUWJS-UHFFFAOYSA-N 0 0 203.266 2.931 50 0 BFAARN CC(C)=CC(=O)N[C@H](C)c1cccc(F)c1 ZINC000033028246 187833082 /nfs/dbraw/zinc/83/30/82/187833082.db2.gz AHDPCMLOXSTVOZ-SNVBAGLBSA-N 0 0 221.275 2.969 50 0 BFAARN Cn1nc(NC(=O)C(C)(C)C)c2c1cccc2F ZINC000000114736 180805606 /nfs/dbraw/zinc/80/56/06/180805606.db2.gz HATMOXGFESVUOV-UHFFFAOYSA-N 0 0 249.289 2.697 50 0 BFAARN CCCCCNC(=O)N1CCC12CCC2 ZINC000072312656 168706321 /nfs/dbraw/zinc/70/63/21/168706321.db2.gz XZEVMTJMFLHGGM-UHFFFAOYSA-N 0 0 210.321 2.515 50 0 BFAARN CC(C)=CCCNC(=O)NC1CCCC1 ZINC000225619065 188080434 /nfs/dbraw/zinc/08/04/34/188080434.db2.gz VSTZCIPYBFQKPZ-UHFFFAOYSA-N 0 0 210.321 2.585 50 0 BFAARN Cc1ccc(CCC(=O)Nc2cccnc2)cc1 ZINC000010313847 353176975 /nfs/dbraw/zinc/17/69/75/353176975.db2.gz LQIJLRNUWBSNFI-UHFFFAOYSA-N 0 0 240.306 2.961 50 0 BFAARN CC(C)(C)N1C[C@H](COc2ccccc2)OC1=O ZINC000000050036 188099110 /nfs/dbraw/zinc/09/91/10/188099110.db2.gz KXKQKMIBWVMCKO-GFCCVEGCSA-N 0 0 249.310 2.685 50 0 BFAARN COc1ccc(Cl)cc1C(=O)NCC(C)C ZINC000000442484 188099529 /nfs/dbraw/zinc/09/95/29/188099529.db2.gz GSFUSGKNYXRUQM-UHFFFAOYSA-N 0 0 241.718 2.734 50 0 BFAARN CC(C)C(NC(=O)COc1ccccc1)C(C)C ZINC000000450349 188099764 /nfs/dbraw/zinc/09/97/64/188099764.db2.gz WSPZUEVAHARHKE-UHFFFAOYSA-N 0 0 249.354 2.862 50 0 BFAARN CC(=O)Nc1cc(Br)ccc1F ZINC000001682852 188100327 /nfs/dbraw/zinc/10/03/27/188100327.db2.gz DCMNLQCVRYDPMY-UHFFFAOYSA-N 0 0 232.052 2.547 50 0 BFAARN COc1ccc(C(=O)c2cccc(OC)c2)cc1 ZINC000002574624 188100771 /nfs/dbraw/zinc/10/07/71/188100771.db2.gz XSUJSUIVBJPHFR-UHFFFAOYSA-N 0 0 242.274 2.935 50 0 BFAARN CCn1ncc(NC(=O)c2ccccc2C)c1C ZINC000002796457 188101107 /nfs/dbraw/zinc/10/11/07/188101107.db2.gz TVBRINMKCMHLPF-UHFFFAOYSA-N 0 0 243.310 2.772 50 0 BFAARN COc1ccc(CCC(=O)C2CCC2)cc1 ZINC000002516589 188101160 /nfs/dbraw/zinc/10/11/60/188101160.db2.gz ADBSKZQPDIGKCC-UHFFFAOYSA-N 0 0 218.296 2.997 50 0 BFAARN COc1ccc([C@@H](O)c2ccc(F)cc2)cc1 ZINC000004255932 188101423 /nfs/dbraw/zinc/10/14/23/188101423.db2.gz OPFPEZAJZHPSJX-AWEZNQCLSA-N 0 0 232.254 2.916 50 0 BFAARN C/C(Cl)=C\CN1C(=O)C(=O)c2cccc(C)c21 ZINC000003898248 188102231 /nfs/dbraw/zinc/10/22/31/188102231.db2.gz XQESLXNBTDZDPT-RMKNXTFCSA-N 0 0 249.697 2.667 50 0 BFAARN CC(=O)NCc1csc(-c2cccc(C)c2)n1 ZINC000006741270 188102550 /nfs/dbraw/zinc/10/25/50/188102550.db2.gz XTCATEDYBIJXRN-UHFFFAOYSA-N 0 0 246.335 2.755 50 0 BFAARN Cc1c(-c2ccccc2)sc2[nH]cnc(=O)c12 ZINC000008616720 188104419 /nfs/dbraw/zinc/10/44/19/188104419.db2.gz CTVQYCYDAHDMBF-UHFFFAOYSA-N 0 0 242.303 2.960 50 0 BFAARN COc1ccc([C@@H](C)NC(=O)C(C)C)cc1 ZINC000012381913 188104949 /nfs/dbraw/zinc/10/49/49/188104949.db2.gz IWVMLIGJOLFVTK-SNVBAGLBSA-N 0 0 221.300 2.528 50 0 BFAARN Cc1ccc(COCCCCO)c(C)c1 ZINC000016284741 188106818 /nfs/dbraw/zinc/10/68/18/188106818.db2.gz UXXZFOORBVIFTF-UHFFFAOYSA-N 0 0 208.301 2.593 50 0 BFAARN CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000017208899 188107388 /nfs/dbraw/zinc/10/73/88/188107388.db2.gz FTTSLLHZAUHMCX-UHFFFAOYSA-N 0 0 224.310 2.830 50 0 BFAARN C[C@@H](c1ccccc1)N1CCC(=O)C[C@@H]1C ZINC000033945397 188111181 /nfs/dbraw/zinc/11/11/81/188111181.db2.gz XOGIRAQPVLKDBV-RYUDHWBXSA-N 0 0 217.312 2.801 50 0 BFAARN Cc1nc(N)sc1Cc1ccc(C)cc1 ZINC000035250896 188111728 /nfs/dbraw/zinc/11/17/28/188111728.db2.gz MFTOOONJCLCDST-UHFFFAOYSA-N 0 0 218.325 2.933 50 0 BFAARN CC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000036941054 188113116 /nfs/dbraw/zinc/11/31/16/188113116.db2.gz IRIOEMMJIXANPY-UHFFFAOYSA-N 0 0 219.284 2.874 50 0 BFAARN CC(C)Oc1cccnc1Br ZINC000038952420 188117627 /nfs/dbraw/zinc/11/76/27/188117627.db2.gz OEYWNNYESKWLGO-UHFFFAOYSA-N 0 0 216.078 2.631 50 0 BFAARN CC(C)CSc1nnc(-c2cccnc2)o1 ZINC000040456934 188117774 /nfs/dbraw/zinc/11/77/74/188117774.db2.gz WFOLUOUJODRXGR-UHFFFAOYSA-N 0 0 235.312 2.880 50 0 BFAARN CCCn1ccnc1SC[C@@H]1CCCCO1 ZINC000040473919 188118003 /nfs/dbraw/zinc/11/80/03/188118003.db2.gz HFUJSNJHRNVYJI-NSHDSACASA-N 0 0 240.372 2.954 50 0 BFAARN CCNc1ncc(Br)cc1C ZINC000042783837 188120543 /nfs/dbraw/zinc/12/05/43/188120543.db2.gz KMKLOKUMLVZENM-UHFFFAOYSA-N 0 0 215.094 2.584 50 0 BFAARN CC(C)(c1ccccc1)[C@@H](O)C(F)(F)F ZINC000088613813 188144267 /nfs/dbraw/zinc/14/42/67/188144267.db2.gz XZILUZJKXAMLBD-SECBINFHSA-N 0 0 218.218 2.887 50 0 BFAARN CCCCCNC(=O)c1cc(-c2ccco2)on1 ZINC000022317058 168712974 /nfs/dbraw/zinc/71/29/74/168712974.db2.gz BRRQSAJCFKUIKH-UHFFFAOYSA-N 0 0 248.282 2.855 50 0 BFAARN Cc1nc(C)c(C(=O)Nc2cccc(C)n2)s1 ZINC000048302375 188124863 /nfs/dbraw/zinc/12/48/63/188124863.db2.gz BUHZUIXRCHAUGF-UHFFFAOYSA-N 0 0 247.323 2.716 50 0 BFAARN COc1ccc(Cl)c(-c2ncc[nH]2)c1F ZINC000067833785 188129280 /nfs/dbraw/zinc/12/92/80/188129280.db2.gz IOIMZLWRPYAMPV-UHFFFAOYSA-N 0 0 226.638 2.878 50 0 BFAARN CC(C)=CC(=O)N[C@@H]1CCCOc2ccccc21 ZINC000069633211 188130603 /nfs/dbraw/zinc/13/06/03/188130603.db2.gz LEXCLUJLAUPFDA-CYBMUJFWSA-N 0 0 245.322 2.983 50 0 BFAARN CC(C)N1CCC[C@@H]1c1nccnc1Cl ZINC000072343847 188131815 /nfs/dbraw/zinc/13/18/15/188131815.db2.gz OCZCSYJTLTYBMT-SECBINFHSA-N 0 0 225.723 2.675 50 0 BFAARN CC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000078152232 188136491 /nfs/dbraw/zinc/13/64/91/188136491.db2.gz QFLGJBVPCJJYCM-UONOGXRCSA-N 0 0 217.312 2.534 50 0 BFAARN CC(=O)N1CCSC[C@H]1c1ccc(C)cc1 ZINC000089632152 188143836 /nfs/dbraw/zinc/14/38/36/188143836.db2.gz YELSLUSXTNWNIB-ZDUSSCGKSA-N 0 0 235.352 2.631 50 0 BFAARN CCCCOc1ccc([C@]2(C)CC(=O)N2)cc1 ZINC000002097680 188156509 /nfs/dbraw/zinc/15/65/09/188156509.db2.gz XEMSORLEBBRTJC-AWEZNQCLSA-N 0 0 233.311 2.601 50 0 biogenic BFAARN C/C=C\C(=O)NCc1ccc2c(cc(C)n2C)c1 ZINC000004924926 188157230 /nfs/dbraw/zinc/15/72/30/188157230.db2.gz DBPXKXUYRJTMTM-PLNGDYQASA-N 0 0 242.322 2.679 50 0 BFAARN FC(F)(F)c1cncc(-n2cccc2)c1 ZINC000004054202 180898138 /nfs/dbraw/zinc/89/81/38/180898138.db2.gz HQBJKVDSJFNVBX-UHFFFAOYSA-N 0 0 212.174 2.891 50 0 BFAARN CC(C)COC(=O)c1c[nH]c2ccccc21 ZINC000022975794 188180200 /nfs/dbraw/zinc/18/02/00/188180200.db2.gz UMYWUGUHMJHWRL-UHFFFAOYSA-N 0 0 217.268 2.981 50 0 BFAARN Cc1ccc(NCC(C)(C)C)cc1C(N)=O ZINC000095429025 188187800 /nfs/dbraw/zinc/18/78/00/188187800.db2.gz XCNDUQWDTLHPJC-UHFFFAOYSA-N 0 0 220.316 2.552 50 0 BFAARN FC1(F)CCN(Cc2cccs2)C1 ZINC000306502237 180917152 /nfs/dbraw/zinc/91/71/52/180917152.db2.gz APYYOKVFARBWTR-UHFFFAOYSA-N 0 0 203.257 2.589 50 0 BFAARN On1c2cccnc2nc1-c1ccc(Cl)cc1 ZINC000001396585 353372996 /nfs/dbraw/zinc/37/29/96/353372996.db2.gz UQLFWZBIRFILGQ-UHFFFAOYSA-N 0 0 245.669 2.989 50 0 BFAARN Fc1ccc(-c2csc(-c3nc[nH]n3)n2)cc1 ZINC000061844303 180958923 /nfs/dbraw/zinc/95/89/23/180958923.db2.gz YFODZIGTKUPVPB-UHFFFAOYSA-N 0 0 246.270 2.734 50 0 BFAARN Fc1ccc(NCc2ccncc2)cc1 ZINC000000497925 180978481 /nfs/dbraw/zinc/97/84/81/180978481.db2.gz ONNWIIVTVOCXPW-UHFFFAOYSA-N 0 0 202.232 2.833 50 0 BFAARN CC(C)=CC(=O)Nc1nc(C)c(C)s1 ZINC000001903560 188455517 /nfs/dbraw/zinc/45/55/17/188455517.db2.gz AHVKPSCPOZFLCT-UHFFFAOYSA-N 0 0 210.302 2.665 50 0 BFAARN Cc1cc2c[nH]nc2c(Br)c1 ZINC000002547978 188455792 /nfs/dbraw/zinc/45/57/92/188455792.db2.gz NCFBKDULJLGGSG-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC2(C)C)cc1 ZINC000000161226 188453491 /nfs/dbraw/zinc/45/34/91/188453491.db2.gz DKTKFFPWQPSKAM-LBPRGKRZSA-N 0 0 246.310 2.630 50 0 BFAARN Cc1ccc(Cl)cc1NC(=O)C1CC1 ZINC000000401520 188453762 /nfs/dbraw/zinc/45/37/62/188453762.db2.gz CUNDAFZYQNFSDS-UHFFFAOYSA-N 0 0 209.676 2.997 50 0 BFAARN Clc1nc(Br)cc2cc[nH]c21 ZINC000039961355 188473315 /nfs/dbraw/zinc/47/33/15/188473315.db2.gz LHURNXZTMAOLSE-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Cc1ccc(C(=O)c2ccc(F)cc2F)cn1 ZINC000045029092 188480305 /nfs/dbraw/zinc/48/03/05/188480305.db2.gz UYDNQDHGDVXPPO-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CC(=O)N(Cn1cccn1)c1c(C)cccc1C ZINC000072115176 188489886 /nfs/dbraw/zinc/48/98/86/188489886.db2.gz JXUANMZOSNWAMI-UHFFFAOYSA-N 0 0 243.310 2.511 50 0 in-vitro BFAARN Fc1cccc(F)c1CNc1cccnc1 ZINC000019884145 181000441 /nfs/dbraw/zinc/00/04/41/181000441.db2.gz BMAIGOLKUZKBTA-UHFFFAOYSA-N 0 0 220.222 2.972 50 0 BFAARN Fc1cccc(NCc2cccs2)n1 ZINC000040711996 181001515 /nfs/dbraw/zinc/00/15/15/181001515.db2.gz MTMKCYKFHUUMQA-UHFFFAOYSA-N 0 0 208.261 2.894 50 0 BFAARN CC(C)[C@H](NC(N)=O)c1ccc(Cl)cc1F ZINC000097081119 188501710 /nfs/dbraw/zinc/50/17/10/188501710.db2.gz VQLIMOISDRTMGW-JTQLQIEISA-N 0 0 244.697 2.845 50 0 BFAARN Fc1ccccc1Cc1ccc(Cl)nn1 ZINC000001393503 181014317 /nfs/dbraw/zinc/01/43/17/181014317.db2.gz NUSUDJFZOPVUDR-UHFFFAOYSA-N 0 0 222.650 2.860 50 0 BFAARN Cc1nccc(C(=O)OC[C@@H]2CC=CC[C@@H]2C)n1 ZINC000079790600 188494339 /nfs/dbraw/zinc/49/43/39/188494339.db2.gz BURHNMUPWULKKC-JQWIXIFHSA-N 0 0 246.310 2.544 50 0 BFAARN Fc1cccnc1N1CCC2(CCC2)C1 ZINC000268201561 181015311 /nfs/dbraw/zinc/01/53/11/181015311.db2.gz MTPIVYWJRGJHBQ-UHFFFAOYSA-N 0 0 206.264 2.601 50 0 BFAARN Fc1cnc(Br)c(OC(F)F)c1 ZINC000263624000 181017429 /nfs/dbraw/zinc/01/74/29/181017429.db2.gz MMZFVXVEHHFQDO-UHFFFAOYSA-N 0 0 241.994 2.585 50 0 BFAARN CC(C)(C)OC(=O)C(=O)[Si](C)(C)C(C)(C)C ZINC000170169805 188520350 /nfs/dbraw/zinc/52/03/50/188520350.db2.gz GGYHTNUVBJRLDM-UHFFFAOYSA-N 0 0 244.407 2.945 50 0 BFAARN O=C(NC[C@H]1CCCC1(F)F)C1CC=CC1 ZINC000334531835 353910777 /nfs/dbraw/zinc/91/07/77/353910777.db2.gz GGOFCAQZINDSJW-SNVBAGLBSA-N 0 0 229.270 2.504 50 0 BFAARN CC(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 ZINC000028304892 188537990 /nfs/dbraw/zinc/53/79/90/188537990.db2.gz BNRYBFWRLREJCA-LLVKDONJSA-N 0 0 228.295 2.674 50 0 BFAARN C/C=C/C=C\C(=O)N[C@@H]1CCOc2ccccc21 ZINC000098053934 188546848 /nfs/dbraw/zinc/54/68/48/188546848.db2.gz MCWCQEWWDGHTRI-IDRGEGBISA-N 0 0 243.306 2.759 50 0 BFAARN CC[C@@H](O)C(O)(c1ccccc1)c1ccccc1 ZINC000000390811 363293064 /nfs/dbraw/zinc/29/30/64/363293064.db2.gz DWBLJCMBQHQWRY-OAHLLOKOSA-N 0 0 242.318 2.693 50 0 BFAARN Cc1ccsc1C(=O)N1CCC[C@@H](C)C1 ZINC000033023538 188584515 /nfs/dbraw/zinc/58/45/15/188584515.db2.gz UCLHEUDAUGDWQJ-SECBINFHSA-N 0 0 223.341 2.929 50 0 BFAARN CC[C@H]1CCCCN1C(=O)c1ccoc1C ZINC000032747682 354543311 /nfs/dbraw/zinc/54/33/11/354543311.db2.gz LCDXABQPHZHMGB-NSHDSACASA-N 0 0 221.300 2.993 50 0 BFAARN C[C@H](N(C)C(=O)c1cccnc1)C(C)(C)C ZINC000032788123 354580666 /nfs/dbraw/zinc/58/06/66/354580666.db2.gz AVEZMDSNLIBECJ-JTQLQIEISA-N 0 0 220.316 2.588 50 0 BFAARN C[C@H](N(C)C(=O)c1ccccn1)C(C)(C)C ZINC000032788102 354580884 /nfs/dbraw/zinc/58/08/84/354580884.db2.gz AJGMHVYCONKNIU-JTQLQIEISA-N 0 0 220.316 2.588 50 0 BFAARN Cc1cc(C(=O)NCC2CC2)sc1C ZINC000032909788 354596631 /nfs/dbraw/zinc/59/66/31/354596631.db2.gz VMRCHJLXPJSRGP-UHFFFAOYSA-N 0 0 209.314 2.505 50 0 BFAARN Cc1ccc(F)cc1NC(=O)N1CCCC1 ZINC000040525999 358493830 /nfs/dbraw/zinc/49/38/30/358493830.db2.gz ZXXIZHFSPPSRLI-UHFFFAOYSA-N 0 0 222.263 2.762 50 0 BFAARN Cc1ccsc1CNC(=O)Nc1ccccn1 ZINC000046987503 355302056 /nfs/dbraw/zinc/30/20/56/355302056.db2.gz CRGIZFIOISVAEP-UHFFFAOYSA-N 0 0 247.323 2.773 50 0 BFAARN CCCC[C@H](C)C(=O)NCc1ccccc1CO ZINC000252499984 363450899 /nfs/dbraw/zinc/45/08/99/363450899.db2.gz SKZRWMKHPMHTEH-LBPRGKRZSA-N 0 0 249.354 2.621 50 0 BFAARN Nc1ncc(C(F)(F)F)cc1-c1ccncc1 ZINC000047212435 355366853 /nfs/dbraw/zinc/36/68/53/355366853.db2.gz QZAVCAATCTZNFR-UHFFFAOYSA-N 0 0 239.200 2.745 50 0 BFAARN Nc1ncc(-c2ccc(F)c(Cl)c2)cn1 ZINC000032498417 355411812 /nfs/dbraw/zinc/41/18/12/355411812.db2.gz OHCZOPHNAJHNFZ-UHFFFAOYSA-N 0 0 223.638 2.518 50 0 BFAARN Cc1nc([C@H](C)NC(=O)C2CC=CC2)cs1 ZINC000336003173 134047939 /nfs/dbraw/zinc/04/79/39/134047939.db2.gz BRPQEEFHHBFLQD-QMMMGPOBSA-N 0 0 236.340 2.595 50 0 BFAARN Nc1sc(=S)nc2sc3c(c21)CCC3 ZINC000100597977 181211772 /nfs/dbraw/zinc/21/17/72/181211772.db2.gz YUPYWXXEGVKMOS-UHFFFAOYSA-N 0 0 240.378 2.989 50 0 BFAARN NC(=O)/C(=C\c1cccs1)c1ccsc1 ZINC000000108067 181212221 /nfs/dbraw/zinc/21/22/21/181212221.db2.gz FOKLVOVSDXOVCG-POHAHGRESA-N 0 0 235.333 2.836 50 0 BFAARN CC[C@H]1CN(C(=O)Nc2cccc(C)c2)CCO1 ZINC000012877727 355836298 /nfs/dbraw/zinc/83/62/98/355836298.db2.gz VUAPHXPXRLRITF-ZDUSSCGKSA-N 0 0 248.326 2.638 50 0 BFAARN Cc1nc(C(=O)Nc2ccc(C)cc2)co1 ZINC000022606324 355943112 /nfs/dbraw/zinc/94/31/12/355943112.db2.gz MWZNHUOKIWMTSS-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN NC(=O)CCSCc1cccc2ccccc21 ZINC000027184036 181226610 /nfs/dbraw/zinc/22/66/10/181226610.db2.gz QPZHQPKUDAEVLI-UHFFFAOYSA-N 0 0 245.347 2.948 50 0 BFAARN NC(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000032933424 181259736 /nfs/dbraw/zinc/25/97/36/181259736.db2.gz HRZGBKPQMAEQHH-UHFFFAOYSA-N 0 0 242.278 2.647 50 0 BFAARN NC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000000437856 181261434 /nfs/dbraw/zinc/26/14/34/181261434.db2.gz OBBMUAXVUXGLFI-CYBMUJFWSA-N 0 0 244.269 2.583 50 0 BFAARN Cc1noc2cc(Cl)nc(Cl)c12 ZINC000033835445 356367473 /nfs/dbraw/zinc/36/74/73/356367473.db2.gz HNNVOZJYSIWIJM-UHFFFAOYSA-N 0 0 203.028 2.838 50 0 BFAARN Cc1ccc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000018061550 356368318 /nfs/dbraw/zinc/36/83/18/356368318.db2.gz JFAZJXHKUTYROF-TXEJJXNPSA-N 0 0 248.326 2.636 50 0 BFAARN CCN(CC)C(=O)[C@H](C)Cc1ccccc1 ZINC000000409780 356359285 /nfs/dbraw/zinc/35/92/85/356359285.db2.gz ZOPLQKBSKLODCX-GFCCVEGCSA-N 0 0 219.328 2.734 50 0 BFAARN CCN(CC)C(=S)Nc1ccccc1 ZINC000005649608 356363591 /nfs/dbraw/zinc/36/35/91/356363591.db2.gz XIBHMHZQNXDDJY-UHFFFAOYSA-N 0 0 208.330 2.725 50 0 BFAARN COC(=O)N1C2=CC=CC=C1CCCC2 ZINC000045069444 356372604 /nfs/dbraw/zinc/37/26/04/356372604.db2.gz CALDATMKYLIRTQ-UHFFFAOYSA-N 0 0 205.257 2.966 50 0 BFAARN CC(C)(C)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000015835981 356377224 /nfs/dbraw/zinc/37/72/24/356377224.db2.gz YBFCXCHQCHAYAQ-SNVBAGLBSA-N 0 0 221.300 2.989 50 0 BFAARN CSCc1ccc(C(=O)Nc2cn[nH]c2)cc1 ZINC000035237476 356424044 /nfs/dbraw/zinc/42/40/44/356424044.db2.gz ZHQSEBBVFNTVBV-UHFFFAOYSA-N 0 0 247.323 2.525 50 0 BFAARN O=C(NC[C@H]1CC=CCC1)C1CC(F)(F)C1 ZINC000336168004 134113921 /nfs/dbraw/zinc/11/39/21/134113921.db2.gz DBDHOFGBMCUZGL-VIFPVBQESA-N 0 0 229.270 2.504 50 0 BFAARN O=C(CCc1ccco1)N1CCc2ccccc21 ZINC000012884384 356497875 /nfs/dbraw/zinc/49/78/75/356497875.db2.gz MPHAJWLHMDRTKR-UHFFFAOYSA-N 0 0 241.290 2.802 50 0 BFAARN O=C(CC1CC(F)(F)C1)N[C@H]1C=CCCC1 ZINC000336200576 134130327 /nfs/dbraw/zinc/13/03/27/134130327.db2.gz CVGHFCZTZSVNIK-JTQLQIEISA-N 0 0 229.270 2.647 50 0 BFAARN Cc1ccc(CNC(=O)C(C)(C)C)cc1F ZINC000048342829 538468991 /nfs/dbraw/zinc/46/89/91/538468991.db2.gz APJVZPJIKBRNAR-UHFFFAOYSA-N 0 0 223.291 2.796 50 0 BFAARN COC(=O)Cc1cc(Cl)nc2c(C)cccc12 ZINC000675081376 538521107 /nfs/dbraw/zinc/52/11/07/538521107.db2.gz BGVVNTNINOVSCP-UHFFFAOYSA-N 0 0 249.697 2.912 50 0 BFAARN O=C1CCCCC1=C(O)C1CCCCC1 ZINC000219859944 538533899 /nfs/dbraw/zinc/53/38/99/538533899.db2.gz NKYINBIJTKYRJI-LLVKDONJSA-N 0 0 208.301 2.895 50 0 BFAARN Cc1cccc(CC2CN(C(=O)[C@@H]3C[C@@H]3C)C2)c1 ZINC000085459275 538540270 /nfs/dbraw/zinc/54/02/70/538540270.db2.gz GGBNKMZXCMEOPA-SWLSCSKDSA-N 0 0 243.350 2.652 50 0 BFAARN Cc1ncn(Cc2c(C)nc3ccccn32)c1C ZINC000089547628 538581310 /nfs/dbraw/zinc/58/13/10/538581310.db2.gz RNGOFXYWDDPFOJ-UHFFFAOYSA-N 0 0 240.310 2.504 50 0 BFAARN Cc1cccc(C=Cc2nccc(=O)[nH]2)c1C ZINC000089686332 538582084 /nfs/dbraw/zinc/58/20/84/538582084.db2.gz NPSVUEWSTFBHCI-VOTSOKGWSA-N 0 0 226.279 2.557 50 0 BFAARN O=C(C1CCCC1)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000089817987 538584561 /nfs/dbraw/zinc/58/45/61/538584561.db2.gz QZMUKQBDNHSLRM-STQMWFEESA-N 0 0 219.328 2.601 50 0 BFAARN CC(C)c1ocnc1C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000095401725 538605344 /nfs/dbraw/zinc/60/53/44/538605344.db2.gz JMZBPALLIUYGPI-AOOOYVTPSA-N 0 0 248.326 2.526 50 0 BFAARN Cc1ccc([C@@H](C)C(=O)N2CCCC2)s1 ZINC000095963314 538611487 /nfs/dbraw/zinc/61/14/87/538611487.db2.gz VXRFOXXFFBRENT-SNVBAGLBSA-N 0 0 223.341 2.782 50 0 BFAARN CC(C)CNC(=O)c1cc2ccccc2cc1O ZINC000012947415 356792681 /nfs/dbraw/zinc/79/26/81/356792681.db2.gz BPEMBFWAYMFXLZ-UHFFFAOYSA-N 0 0 243.306 2.931 50 0 BFAARN CS[C@H]1CCCC[C@@H]1NC(=O)NC1CCC1 ZINC000098012733 538713762 /nfs/dbraw/zinc/71/37/62/538713762.db2.gz BFVWTHJVGQKKFP-QWRGUYRKSA-N 0 0 242.388 2.512 50 0 BFAARN Cc1occc1C(=O)NCCc1ccccc1F ZINC000012953205 356849665 /nfs/dbraw/zinc/84/96/65/356849665.db2.gz NMXLGLAETVJSJM-UHFFFAOYSA-N 0 0 247.269 2.700 50 0 BFAARN COc1ccc2[nH]c3nc[nH]c(=S)c3c2c1 ZINC000075279574 356938742 /nfs/dbraw/zinc/93/87/42/356938742.db2.gz OYGMBWLYTRRMMX-UHFFFAOYSA-N 0 0 231.280 2.782 50 0 BFAARN Clc1ccc(Oc2ccc(Cl)nn2)nc1 ZINC000075284425 356939678 /nfs/dbraw/zinc/93/96/78/356939678.db2.gz WDPVTRVTLRCDGY-UHFFFAOYSA-N 0 0 242.065 2.971 50 0 BFAARN C[C@@H](NC(=O)c1ccoc1)c1ccccc1F ZINC000012865219 538776493 /nfs/dbraw/zinc/77/64/93/538776493.db2.gz XIIZDLZLKVZKDJ-SECBINFHSA-N 0 0 233.242 2.910 50 0 BFAARN C[C@H](NC(=O)c1ccoc1)c1ccccc1F ZINC000012865228 538776791 /nfs/dbraw/zinc/77/67/91/538776791.db2.gz XIIZDLZLKVZKDJ-VIFPVBQESA-N 0 0 233.242 2.910 50 0 BFAARN NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000012926414 538778071 /nfs/dbraw/zinc/77/80/71/538778071.db2.gz CEYGPPCYLMUUIU-UHFFFAOYSA-N 0 0 231.226 2.717 50 0 BFAARN COCCC(=O)Nc1cc(F)c(F)cc1Cl ZINC000078985711 357073875 /nfs/dbraw/zinc/07/38/75/357073875.db2.gz BRAJVONNPBRHOK-UHFFFAOYSA-N 0 0 249.644 2.593 50 0 BFAARN CC(C)=C[C@@H]1[C@H](C(=O)NC(C)C)C1(C)C ZINC000012981285 538780687 /nfs/dbraw/zinc/78/06/87/538780687.db2.gz KAKXBNHJXOBMRL-GHMZBOCLSA-N 0 0 209.333 2.749 50 0 BFAARN CSCc1cccc(C(=O)N2CCCC2)c1 ZINC000012973387 538780751 /nfs/dbraw/zinc/78/07/51/538780751.db2.gz QJDVIJYRHADOQN-UHFFFAOYSA-N 0 0 235.352 2.786 50 0 BFAARN CC[C@]1(C)OC(=O)N(Cc2ccccc2)[C@@]1(C)O ZINC000035327543 357176928 /nfs/dbraw/zinc/17/69/28/357176928.db2.gz MUMVWDVYJBOAQP-KBPBESRZSA-N 0 0 249.310 2.516 50 0 BFAARN FC(F)Oc1ccccc1OC(F)F ZINC000015441862 357338805 /nfs/dbraw/zinc/33/88/05/357338805.db2.gz ITQCXTOQWOFOGH-UHFFFAOYSA-N 0 0 210.126 2.889 50 0 BFAARN OCc1ccc2nc(Br)sc2c1 ZINC000148710640 357342708 /nfs/dbraw/zinc/34/27/08/357342708.db2.gz FMONXQUGLOZBOG-UHFFFAOYSA-N 0 0 244.113 2.551 50 0 BFAARN Fc1cncc(F)c1CNCc1ccccc1 ZINC000685946991 538888784 /nfs/dbraw/zinc/88/87/84/538888784.db2.gz YQSJOCDJXVXVRP-UHFFFAOYSA-N 0 0 234.249 2.650 50 0 BFAARN O=C([C@@H]1Cc2ccccc2S1)N1CCCCC1 ZINC000012973152 357923298 /nfs/dbraw/zinc/92/32/98/357923298.db2.gz BDTFEBBXAVJGIZ-ZDUSSCGKSA-N 0 0 247.363 2.716 50 0 BFAARN C[C@@H](Cc1cccs1)NC(=O)c1ccncc1 ZINC000033203526 358043362 /nfs/dbraw/zinc/04/33/62/358043362.db2.gz DXEQERPPKMKBNE-JTQLQIEISA-N 0 0 246.335 2.504 50 0 BFAARN CCCC(C)(C)NC(=O)Cc1cccc(N)c1 ZINC000168813281 134246948 /nfs/dbraw/zinc/24/69/48/134246948.db2.gz LGTNEQCAZPUWDZ-UHFFFAOYSA-N 0 0 234.343 2.506 50 0 BFAARN O=C(CCC1CCCCC1)Nc1nncs1 ZINC000001467773 358124276 /nfs/dbraw/zinc/12/42/76/358124276.db2.gz IVIVZZYPRNRXRI-UHFFFAOYSA-N 0 0 239.344 2.837 50 0 BFAARN Cc1occc1C(=O)Nc1cccc2c[nH]nc21 ZINC000013012730 358181717 /nfs/dbraw/zinc/18/17/17/358181717.db2.gz WMTWJOJGCXBLQM-UHFFFAOYSA-N 0 0 241.250 2.717 50 0 BFAARN Cc1ccc(NC(=O)c2ccc(C)nc2C)nc1 ZINC000048385089 358629198 /nfs/dbraw/zinc/62/91/98/358629198.db2.gz XEXOKJNMDLKJJV-UHFFFAOYSA-N 0 0 241.294 2.654 50 0 BFAARN COC(=O)CSCc1ccc(F)cc1Cl ZINC000006490465 359531320 /nfs/dbraw/zinc/53/13/20/359531320.db2.gz PQXRVIHZQJQPPI-UHFFFAOYSA-N 0 0 248.706 2.885 50 0 BFAARN Cc1nc(C)c(C(=O)N2CC[C@@H]3CCCC[C@@H]32)o1 ZINC000089558054 360025837 /nfs/dbraw/zinc/02/58/37/360025837.db2.gz KSPWRNXBSYLLEN-RYUDHWBXSA-N 0 0 248.326 2.696 50 0 BFAARN Cc1ccnc(NC(=O)c2ccc(Cl)o2)c1 ZINC000022243229 359997958 /nfs/dbraw/zinc/99/79/58/359997958.db2.gz XUZSJAATNRKRPD-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN CC(C)(C)C(=O)N[C@@H]1CCCc2occc21 ZINC000069452443 166531859 /nfs/dbraw/zinc/53/18/59/166531859.db2.gz IGHSWHVUTTVQJY-SNVBAGLBSA-N 0 0 221.300 2.819 50 0 BFAARN C[C@H]1CN(C[C@@H]2CCOC2)c2ccccc21 ZINC000095350425 360335724 /nfs/dbraw/zinc/33/57/24/360335724.db2.gz WFIJWIACJJPONH-RYUDHWBXSA-N 0 0 217.312 2.647 50 0 BFAARN O=C(NC(C1CC1)C1CC1)c1ccsc1 ZINC000012851250 219811788 /nfs/dbraw/zinc/81/17/88/219811788.db2.gz WMGMYYJZDZTXPL-UHFFFAOYSA-N 0 0 221.325 2.667 50 0 BFAARN CCn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000016615981 219813948 /nfs/dbraw/zinc/81/39/48/219813948.db2.gz JDVRRRCLFFJROH-UHFFFAOYSA-N 0 0 243.093 2.723 50 0 BFAARN NC(=O)c1cc(-c2ccc(F)cc2F)cs1 ZINC000426477644 219849355 /nfs/dbraw/zinc/84/93/55/219849355.db2.gz WSWZRUPNLJRFIZ-UHFFFAOYSA-N 0 0 239.246 2.792 50 0 BFAARN COCc1ccc(Br)s1 ZINC000039374808 259520461 /nfs/dbraw/zinc/52/04/61/259520461.db2.gz QSQQAKKFHNTDAV-UHFFFAOYSA-N 0 0 207.092 2.657 50 0 BFAARN CC(C)CC(=O)Nc1cccc2c[nH]nc21 ZINC000039551562 360872041 /nfs/dbraw/zinc/87/20/41/360872041.db2.gz PCSCRHMITYLPGL-UHFFFAOYSA-N 0 0 217.272 2.548 50 0 BFAARN CC(C)(C)Cc1nnc(NCc2cccnc2)o1 ZINC000097231406 200732095 /nfs/dbraw/zinc/73/20/95/200732095.db2.gz HNNLPQNRKZPAMK-UHFFFAOYSA-N 0 0 246.314 2.665 50 0 BFAARN Cc1ccc(-c2cc(OC(F)F)n(C)n2)cc1 ZINC000006814946 360912990 /nfs/dbraw/zinc/91/29/90/360912990.db2.gz JTFWCXSOVZDWPL-UHFFFAOYSA-N 0 0 238.237 2.997 50 0 BFAARN CCOc1ccccc1CSc1nncn1C ZINC000036396120 361081982 /nfs/dbraw/zinc/08/19/82/361081982.db2.gz HNCSHANICLWSET-UHFFFAOYSA-N 0 0 249.339 2.506 50 0 BFAARN CCCNC(=O)Cc1cccn1-c1ccccc1 ZINC000065170961 361157459 /nfs/dbraw/zinc/15/74/59/361157459.db2.gz TUTPNIBUZUULGL-UHFFFAOYSA-N 0 0 242.322 2.546 50 0 BFAARN CCn1nc(/C=C/C2CCCCC2)nc1N(C)C ZINC000426361870 200982208 /nfs/dbraw/zinc/98/22/08/200982208.db2.gz BDVFWXXNZIMJCC-ZHACJKMWSA-N 0 0 248.374 2.958 50 0 BFAARN CCCn1nccc1-c1ccc2c(n1)CCC2 ZINC000426431913 200985446 /nfs/dbraw/zinc/98/54/46/200985446.db2.gz NBKSXIOABCZBSU-UHFFFAOYSA-N 0 0 227.311 2.844 50 0 BFAARN COc1ccc(O)c(-c2ccc(C(C)C)nn2)c1 ZINC000426434779 200986357 /nfs/dbraw/zinc/98/63/57/200986357.db2.gz BLGYRSWIKCWXMP-UHFFFAOYSA-N 0 0 244.294 2.981 50 0 BFAARN Cc1cnc2nc(C3=CCCCC3)cnc2n1 ZINC000426465272 200988124 /nfs/dbraw/zinc/98/81/24/200988124.db2.gz SOXFZCFHCNJUMR-UHFFFAOYSA-N 0 0 226.283 2.686 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000249233130 361329642 /nfs/dbraw/zinc/32/96/42/361329642.db2.gz KNCUBBURLBIXPJ-HONMWMINSA-N 0 0 229.323 2.788 50 0 BFAARN O=C(c1ccoc1)N1CCC(=C2CC2)CC1 ZINC000238811032 361386360 /nfs/dbraw/zinc/38/63/60/361386360.db2.gz AHUKKYLYKUEFMO-UHFFFAOYSA-N 0 0 217.268 2.606 50 0 BFAARN Cc1nc(NCC(C)(C)c2ccccc2)n(C)n1 ZINC000170086112 361390230 /nfs/dbraw/zinc/39/02/30/361390230.db2.gz IMYWEPBNEASHJY-UHFFFAOYSA-N 0 0 244.342 2.513 50 0 BFAARN Cc1nsc(N2CCC(=C3CC3)CC2)n1 ZINC000238872934 361396818 /nfs/dbraw/zinc/39/68/18/361396818.db2.gz NIRQGCKGJYYHGP-UHFFFAOYSA-N 0 0 221.329 2.537 50 0 BFAARN Cc1ccc(NCc2nccn2C)cc1C ZINC000036804446 361492334 /nfs/dbraw/zinc/49/23/34/361492334.db2.gz OTNUQBQCTVQPAA-UHFFFAOYSA-N 0 0 215.300 2.649 50 0 BFAARN c1coc(CNc2ncnc3sccc32)c1 ZINC000036803804 361492762 /nfs/dbraw/zinc/49/27/62/361492762.db2.gz QKNXTDBXANREEA-UHFFFAOYSA-N 0 0 231.280 2.896 50 0 BFAARN C[C@@H]1c2cccn2CCN1C(=O)C[C@H]1C=CCC1 ZINC000032753040 363846427 /nfs/dbraw/zinc/84/64/27/363846427.db2.gz GMRLOLOEEYTORO-OLZOCXBDSA-N 0 0 244.338 2.748 50 0 BFAARN CCN(CC)C(=NNc1cccc(C)c1)C(C)=O ZINC000252613697 364063722 /nfs/dbraw/zinc/06/37/22/364063722.db2.gz JCUHRGQFOUQIJE-UHFFFAOYSA-N 0 0 247.342 2.651 50 0 BFAARN O=Cc1ccccc1-c1noc(C2CCC2)n1 ZINC000725273510 541340521 /nfs/dbraw/zinc/34/05/21/541340521.db2.gz HZJDZNIOLKATHE-UHFFFAOYSA-N 0 0 228.251 2.817 50 0 BFAARN Fc1ccc(-c2noc(C3CCC3)n2)cn1 ZINC000725273517 541340792 /nfs/dbraw/zinc/34/07/92/541340792.db2.gz IPKKJGVLIARJQH-UHFFFAOYSA-N 0 0 219.219 2.538 50 0 BFAARN CC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000038272355 364363445 /nfs/dbraw/zinc/36/34/45/364363445.db2.gz TZTFQNVEGWEGCC-ZETCQYMHSA-N 0 0 231.217 2.903 50 0 BFAARN C[C@H](SC1CCCC1)C(=O)N1CCCC1 ZINC000033045914 541469484 /nfs/dbraw/zinc/46/94/84/541469484.db2.gz ULVRSUHQZKSPIS-JTQLQIEISA-N 0 0 227.373 2.673 50 0 BFAARN C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccncc1 ZINC000027404770 541499618 /nfs/dbraw/zinc/49/96/18/541499618.db2.gz CYVWBWVMEAOWFF-DGCLKSJQSA-N 0 0 230.311 2.615 50 0 BFAARN C[C@H]1C[C@H]1C(=O)NC1(c2ccccc2)CCC1 ZINC000032841209 541502222 /nfs/dbraw/zinc/50/22/22/541502222.db2.gz NWKRUTIFHKDZNJ-WCQYABFASA-N 0 0 229.323 2.838 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NC1(c2ccccc2)CCC1 ZINC000032841208 541502283 /nfs/dbraw/zinc/50/22/83/541502283.db2.gz NWKRUTIFHKDZNJ-DGCLKSJQSA-N 0 0 229.323 2.838 50 0 BFAARN Cc1ccc(CN(C)C(=O)c2ccoc2)cc1 ZINC000032841536 541502390 /nfs/dbraw/zinc/50/23/90/541502390.db2.gz WVAFYVMKICXQCL-UHFFFAOYSA-N 0 0 229.279 2.860 50 0 BFAARN C[C@H]1Oc2c(cccc2C(=O)N2CCCC2)[C@H]1C ZINC000032820040 541502499 /nfs/dbraw/zinc/50/24/99/541502499.db2.gz AQICUQZJCACHLG-WDEREUQCSA-N 0 0 245.322 2.807 50 0 BFAARN Cc1cc(N(C)C)cc(F)c1Br ZINC000116942202 370855741 /nfs/dbraw/zinc/85/57/41/370855741.db2.gz KMFPUJLTLWPLJK-UHFFFAOYSA-N 0 0 232.096 2.963 50 0 BFAARN CC(C)OCCCNc1cnnc2ccccc21 ZINC000383230720 367608772 /nfs/dbraw/zinc/60/87/72/367608772.db2.gz AEEVFWXJCOXWOF-UHFFFAOYSA-N 0 0 245.326 2.857 50 0 BFAARN CCCc1n[nH]c2c1C(=O)CC(C)(C)C2 ZINC000003832785 367867031 /nfs/dbraw/zinc/86/70/31/367867031.db2.gz XPVIHXUFUYYDQE-UHFFFAOYSA-N 0 0 206.289 2.517 50 0 BFAARN CC[N@@H+]1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000223011449 367911120 /nfs/dbraw/zinc/91/11/20/367911120.db2.gz PADVPBRJTQFIOC-CYBMUJFWSA-N 0 0 233.311 2.584 50 0 BFAARN CCC(=O)N(C)C(=O)Nc1ccc(Cl)cc1 ZINC000019865566 368371707 /nfs/dbraw/zinc/37/17/07/368371707.db2.gz LVRBMRRYEIVMFE-UHFFFAOYSA-N 0 0 240.690 2.740 50 0 BFAARN Cc1cc(N2C(=O)[C@@H]3C[C@@H]3C2=O)ccc1C(C)C ZINC000019910955 368372654 /nfs/dbraw/zinc/37/26/54/368372654.db2.gz AOOHFJKZJIWEKB-BETUJISGSA-N 0 0 243.306 2.628 50 0 BFAARN OCc1ccc(Cl)c(Br)c1F ZINC000224683511 368395968 /nfs/dbraw/zinc/39/59/68/368395968.db2.gz ZTRDPYMNGHIYHD-UHFFFAOYSA-N 0 0 239.471 2.734 50 0 BFAARN COc1cc(Br)c(F)cc1F ZINC000139770554 368391766 /nfs/dbraw/zinc/39/17/66/368391766.db2.gz DLHGZDMSUZUOEV-UHFFFAOYSA-N 0 0 223.016 2.736 50 0 BFAARN Cc1cc(-c2cccnc2)nc(-c2cccnc2)n1 ZINC000220401871 368400774 /nfs/dbraw/zinc/40/07/74/368400774.db2.gz AOQSULMXXLEBIM-UHFFFAOYSA-N 0 0 248.289 2.909 50 0 BFAARN CCOc1cccc(OC)c1Br ZINC000216544698 368400846 /nfs/dbraw/zinc/40/08/46/368400846.db2.gz ZLSJMNXJABVGMI-UHFFFAOYSA-N 0 0 231.089 2.856 50 0 BFAARN CC(=O)Nc1ccccc1-c1ccc(N)cc1 ZINC000221930663 368402877 /nfs/dbraw/zinc/40/28/77/368402877.db2.gz PQIFOTHSKBUPLJ-UHFFFAOYSA-N 0 0 226.279 2.894 50 0 BFAARN CCOc1ccccc1C(=O)Nc1cccnc1 ZINC000000481976 368559226 /nfs/dbraw/zinc/55/92/26/368559226.db2.gz DZPRSWPPJPRPDH-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN Cc1ccc(O)cc1C(=O)N1C[C@@H]2CC[C@@H](C2)C1 ZINC000584884242 369032898 /nfs/dbraw/zinc/03/28/98/369032898.db2.gz ODPBSAYCKJIHDJ-TXEJJXNPSA-N 0 0 245.322 2.573 50 0 BFAARN Cc1cc(O)ccc1C(=O)N(C)C[C@@H]1CC1(C)C ZINC000584887860 369036220 /nfs/dbraw/zinc/03/62/20/369036220.db2.gz FVQWLZZDWHOCHF-NSHDSACASA-N 0 0 247.338 2.819 50 0 BFAARN CSCCC(=O)NC[C@H]1CC12CCCCC2 ZINC000584890035 369037278 /nfs/dbraw/zinc/03/72/78/369037278.db2.gz SZRXJOMUWPMVHC-LLVKDONJSA-N 0 0 241.400 2.826 50 0 BFAARN CCC1(CNC(=O)[C@@]2(C)CCCCO2)CCC1 ZINC000457622125 203082328 /nfs/dbraw/zinc/08/23/28/203082328.db2.gz DQOAHQLIMGXALP-CYBMUJFWSA-N 0 0 239.359 2.642 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCSc2ccccc21 ZINC000302056389 369386693 /nfs/dbraw/zinc/38/66/93/369386693.db2.gz UFXJEABLPVHYGD-USWWRNFRSA-N 0 0 247.363 2.996 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000012905490 370983413 /nfs/dbraw/zinc/98/34/13/370983413.db2.gz UFXJEABLPVHYGD-ADEWGFFLSA-N 0 0 247.363 2.996 50 0 BFAARN C[C@H](OC(=O)c1ccoc1)c1nccs1 ZINC000078975953 371162138 /nfs/dbraw/zinc/16/21/38/371162138.db2.gz HWNZIQIXBDLZPB-ZETCQYMHSA-N 0 0 223.253 2.654 50 0 BFAARN NNc1ccccc1COc1ccccc1 ZINC000002546172 181518947 /nfs/dbraw/zinc/51/89/47/181518947.db2.gz AGRGSQKTFUYYOF-UHFFFAOYSA-N 0 0 214.268 2.551 50 0 BFAARN Cc1ccc(O)c(C(=O)N2CCC[C@H](C)C2)c1 ZINC000019837464 371192234 /nfs/dbraw/zinc/19/22/34/371192234.db2.gz IDMWNILZUZYJRQ-NSHDSACASA-N 0 0 233.311 2.573 50 0 BFAARN C[C@@H](Sc1nc[nH]n1)c1cccc(F)c1 ZINC000079820172 371228585 /nfs/dbraw/zinc/22/85/85/371228585.db2.gz OYVBZEALJRQFNQ-SSDOTTSWSA-N 0 0 223.276 2.797 50 0 BFAARN CCn1[nH]cc2nc([C@H]3CC=CCC3)nc1-2 ZINC000020455529 371283036 /nfs/dbraw/zinc/28/30/36/371283036.db2.gz NVOPKYOZEDPKMN-VIFPVBQESA-N 0 0 216.288 2.603 50 0 BFAARN Nc1ccc(Br)c2ncccc12 ZINC000019772628 181698728 /nfs/dbraw/zinc/69/87/28/181698728.db2.gz UNFYSPONYGTMNH-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN C(CC1CC1)c1nc([C@@H]2CCCCCN2)no1 ZINC000096001513 371375578 /nfs/dbraw/zinc/37/55/78/371375578.db2.gz XGVMUYVCCHWVFM-NSHDSACASA-N 0 0 235.331 2.617 50 0 BFAARN Nc1ccc(Cl)cc1Br ZINC000000404060 181710192 /nfs/dbraw/zinc/71/01/92/181710192.db2.gz SYTBIFURTZACKR-UHFFFAOYSA-N 0 0 206.470 2.685 50 0 BFAARN Cc1noc2ncnc(Nc3ccccc3F)c12 ZINC000021714740 371485181 /nfs/dbraw/zinc/48/51/81/371485181.db2.gz MBBQBOSPKTUSKH-UHFFFAOYSA-N 0 0 244.229 2.809 50 0 BFAARN Nc1cccc(C(=O)c2ccc(F)cc2)c1 ZINC000032013043 181741848 /nfs/dbraw/zinc/74/18/48/181741848.db2.gz YELJAOYXDLKMGA-UHFFFAOYSA-N 0 0 215.227 2.639 50 0 BFAARN Nc1cccc(CC(=O)NC2CCCCCC2)c1 ZINC000020186021 181742153 /nfs/dbraw/zinc/74/21/53/181742153.db2.gz HGKMIIFAZXVEFN-UHFFFAOYSA-N 0 0 246.354 2.650 50 0 BFAARN Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000004218868 181765020 /nfs/dbraw/zinc/76/50/20/181765020.db2.gz WWDWWRCIRCDQTN-UHFFFAOYSA-N 0 0 242.109 2.820 50 0 BFAARN C/C(Cl)=C\CN1C(=O)C(=O)c2cc(C)ccc21 ZINC000002471080 371554780 /nfs/dbraw/zinc/55/47/80/371554780.db2.gz BVGGRKCCHFRIAK-WEVVVXLNSA-N 0 0 249.697 2.667 50 0 BFAARN CC(C)CN1CCn2c3ccccc3nc2C1 ZINC000021799883 371497027 /nfs/dbraw/zinc/49/70/27/371497027.db2.gz PQFUPUJDDRXZBF-UHFFFAOYSA-N 0 0 229.327 2.508 50 0 BFAARN Nc1nc(-c2ccccc2)nc2ccccc12 ZINC000002506578 181776811 /nfs/dbraw/zinc/77/68/11/181776811.db2.gz AEEMTZOWFJHGNW-UHFFFAOYSA-N 0 0 221.263 2.879 50 0 BFAARN Nc1nc(-c2ccccn2)cc2ccccc21 ZINC000027314999 181777747 /nfs/dbraw/zinc/77/77/47/181777747.db2.gz SZYOCGSGLNKIQO-UHFFFAOYSA-N 0 0 221.263 2.879 50 0 BFAARN CC(C)CC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000028305251 371594015 /nfs/dbraw/zinc/59/40/15/371594015.db2.gz PWOAIUSDQIMNNB-JTQLQIEISA-N 0 0 249.310 2.639 50 0 BFAARN Nc1nc2cc(F)c(Br)cc2s1 ZINC000095829184 181792401 /nfs/dbraw/zinc/79/24/01/181792401.db2.gz RTANGTWGWAJMPC-UHFFFAOYSA-N 0 0 247.092 2.780 50 0 BFAARN Cn1cccc1C(=O)NCc1ccc(Cl)cc1 ZINC000003339506 371961018 /nfs/dbraw/zinc/96/10/18/371961018.db2.gz DJPYRDPSMYZPIH-UHFFFAOYSA-N 0 0 248.713 2.609 50 0 BFAARN CN1C(=O)/C(=C\c2ccco2)c2ccccc21 ZINC000003406154 371984379 /nfs/dbraw/zinc/98/43/79/371984379.db2.gz UIXNBOJLZKFUBU-XFXZXTDPSA-N 0 0 225.247 2.797 50 0 BFAARN Cc1cc(C)cc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000003407277 371984434 /nfs/dbraw/zinc/98/44/34/371984434.db2.gz YVJFZFXJJRAQDO-JQWIXIFHSA-N 0 0 203.285 2.898 50 0 BFAARN O=C(C1CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000012953336 181862266 /nfs/dbraw/zinc/86/22/66/181862266.db2.gz JEEWWSZOQQMYRG-PWSUYJOCSA-N 0 0 207.317 2.578 50 0 BFAARN CCSC(SCC)c1cc[nH]n1 ZINC000004024828 372119406 /nfs/dbraw/zinc/11/94/06/372119406.db2.gz NNRZOGFRXPOOGY-UHFFFAOYSA-N 0 0 202.348 2.915 50 0 BFAARN c1ccc2c(c1)nnn2-c1cnc2ccccc2c1 ZINC000032252429 372168418 /nfs/dbraw/zinc/16/84/18/372168418.db2.gz NKWAYKLGALSVRT-UHFFFAOYSA-N 0 0 246.273 2.969 50 0 BFAARN Nc1cc(Br)ccc1C1CC1 ZINC000004245440 372182301 /nfs/dbraw/zinc/18/23/01/372182301.db2.gz PJUKQEFUOIIPHR-UHFFFAOYSA-N 0 0 212.090 2.909 50 0 BFAARN O=C(C1CCCC1)N1CCC[C@H]2CCC[C@H]21 ZINC000089818012 181868952 /nfs/dbraw/zinc/86/89/52/181868952.db2.gz CPAXREDCEZYJJO-DGCLKSJQSA-N 0 0 221.344 2.968 50 0 BFAARN Cc1cc(C)nc(Nc2ccc3c[nH]nc3c2)n1 ZINC000008020286 372258688 /nfs/dbraw/zinc/25/86/88/372258688.db2.gz ORTKGUWOHJZLNY-UHFFFAOYSA-N 0 0 239.282 2.713 50 0 BFAARN O=C(CC1CCCCC1)Nc1cccnc1 ZINC000000780041 181894614 /nfs/dbraw/zinc/89/46/14/181894614.db2.gz SIURWXONEBYXJD-UHFFFAOYSA-N 0 0 218.300 2.991 50 0 BFAARN O=C(CNc1ccccc1)Nc1ccc(F)cc1 ZINC000000132512 181983528 /nfs/dbraw/zinc/98/35/28/181983528.db2.gz VCMBBOYEMGIVFC-UHFFFAOYSA-N 0 0 244.269 2.876 50 0 BFAARN C[C@@H](Cc1cccs1)NC(=O)C1CCC1 ZINC000038935396 372817795 /nfs/dbraw/zinc/81/77/95/372817795.db2.gz YQHLGVIVFJEGCH-VIFPVBQESA-N 0 0 223.341 2.595 50 0 BFAARN C[C@H](Cc1cccs1)NC(=O)C1CCC1 ZINC000038935397 372817854 /nfs/dbraw/zinc/81/78/54/372817854.db2.gz YQHLGVIVFJEGCH-SECBINFHSA-N 0 0 223.341 2.595 50 0 BFAARN O=C(COc1ccccc1F)Nc1ccccc1 ZINC000005558212 182003578 /nfs/dbraw/zinc/00/35/78/182003578.db2.gz YZYNHQBSEFNLIG-UHFFFAOYSA-N 0 0 245.253 2.843 50 0 BFAARN O=C(C[C@@H]1C=CCC1)NCCc1cccs1 ZINC000036392816 182014379 /nfs/dbraw/zinc/01/43/79/182014379.db2.gz PLYSWNLICXCZBH-LLVKDONJSA-N 0 0 235.352 2.763 50 0 BFAARN O=C(Cc1cccc2ccccc21)NC1CC1 ZINC000000618064 182042718 /nfs/dbraw/zinc/04/27/18/182042718.db2.gz AODJPSKKHFEVIQ-UHFFFAOYSA-N 0 0 225.291 2.661 50 0 BFAARN O=C(Cc1ccccc1)C1(O)CCCCCC1 ZINC000043199230 182043225 /nfs/dbraw/zinc/04/32/25/182043225.db2.gz TWAVDUXINNCUGJ-UHFFFAOYSA-N 0 0 232.323 2.884 50 0 BFAARN O=C(Cc1ccccc1)Nc1cccnc1Cl ZINC000002749715 182044382 /nfs/dbraw/zinc/04/43/82/182044382.db2.gz WIINERLYPRUASN-UHFFFAOYSA-N 0 0 246.697 2.916 50 0 BFAARN O=C(Cc1ccccc1Cl)Nc1ccncc1 ZINC000017583703 182045124 /nfs/dbraw/zinc/04/51/24/182045124.db2.gz MHYFLLMOYZCMRX-UHFFFAOYSA-N 0 0 246.697 2.916 50 0 BFAARN O=C(Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000038125491 182045241 /nfs/dbraw/zinc/04/52/41/182045241.db2.gz LVDYVSQVFXRVQZ-GFCCVEGCSA-N 0 0 224.687 2.631 50 0 BFAARN O=C(Cc1cccs1)NCc1cccc(F)c1 ZINC000005134806 182053024 /nfs/dbraw/zinc/05/30/24/182053024.db2.gz RADUKUQNMCTHEY-UHFFFAOYSA-N 0 0 249.310 2.746 50 0 BFAARN O=C(Cc1nc2ccccc2[nH]1)c1ccco1 ZINC000009219664 182061472 /nfs/dbraw/zinc/06/14/72/182061472.db2.gz WZSNSPLXKWMOOW-UHFFFAOYSA-N 0 0 226.235 2.581 50 0 BFAARN O=C(Cc1ccsc1)NCc1ccsc1 ZINC000042938114 182059174 /nfs/dbraw/zinc/05/91/74/182059174.db2.gz QDTMUNNGDDTELI-UHFFFAOYSA-N 0 0 237.349 2.669 50 0 BFAARN CCc1ccc(C(=O)N[C@@H](C)Cc2ccco2)o1 ZINC000040082281 373104704 /nfs/dbraw/zinc/10/47/04/373104704.db2.gz ZKBCCDBTKJAYLZ-JTQLQIEISA-N 0 0 247.294 2.796 50 0 BFAARN O=C(N1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000004031845 182079624 /nfs/dbraw/zinc/07/96/24/182079624.db2.gz RVXVNLMWQYKNHL-UHFFFAOYSA-N 0 0 233.355 2.825 50 0 in-vivo BFAARN O=C(N1CCCCCC1)C1(CF)CCC1 ZINC000335636727 182079756 /nfs/dbraw/zinc/07/97/56/182079756.db2.gz UPFUAECTNRMOHZ-UHFFFAOYSA-N 0 0 213.296 2.529 50 0 BFAARN CCC/C=C/c1ccc(NC2CC2)nn1 ZINC000067908512 205471418 /nfs/dbraw/zinc/47/14/18/205471418.db2.gz NJLFZUFHFVTPHX-SNAWJCMRSA-N 0 0 203.289 2.864 50 0 BFAARN Cc1coc2c1cc1c(C)c/c(=N\N)oc1c2C ZINC000013656311 205460023 /nfs/dbraw/zinc/46/00/23/205460023.db2.gz WNPNRTVKWUOLBT-FOWTUZBSSA-N 0 0 242.278 2.879 50 0 BFAARN CS[C@H](C)C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000245289663 373253302 /nfs/dbraw/zinc/25/33/02/373253302.db2.gz DIEXCLHTYSOWDB-DDHJBXDOSA-N 0 0 241.400 2.918 50 0 BFAARN O=C(NC12CC3CC(CC(C3)C1)C2)C(F)(F)F ZINC000000245746 182092150 /nfs/dbraw/zinc/09/21/50/182092150.db2.gz CMKIOJNRXWXMCG-UHFFFAOYSA-N 0 0 247.260 2.634 50 0 BFAARN CCCCCCNC(=O)Nc1cc(C)on1 ZINC000040474240 373293418 /nfs/dbraw/zinc/29/34/18/373293418.db2.gz MNAGGUZJGYRKST-UHFFFAOYSA-N 0 0 225.292 2.685 50 0 BFAARN O=C(NC1CC1)c1csc2ccccc12 ZINC000025951524 182102538 /nfs/dbraw/zinc/10/25/38/182102538.db2.gz HUIRXUAIZWCFJP-UHFFFAOYSA-N 0 0 217.293 2.794 50 0 BFAARN O=C(NC1CC1)N1CCC2(CCCC2)CC1 ZINC000098012660 182095775 /nfs/dbraw/zinc/09/57/75/182095775.db2.gz ZWMBXCLKBCIOSN-UHFFFAOYSA-N 0 0 222.332 2.515 50 0 BFAARN CC(C)c1noc(CN2CCCC[C@@H]2C)n1 ZINC000040489582 373315863 /nfs/dbraw/zinc/31/58/63/373315863.db2.gz HYCYRNWGBSBBBZ-JTQLQIEISA-N 0 0 223.320 2.567 50 0 BFAARN O=C(NC1CC1)N(Cc1ccco1)C1CCCC1 ZINC000058160058 182096221 /nfs/dbraw/zinc/09/62/21/182096221.db2.gz PCGYSMCZWXGRIJ-UHFFFAOYSA-N 0 0 248.326 2.896 50 0 BFAARN O=C(NC1CC1)c1cc2ccccc2s1 ZINC000017122555 182099829 /nfs/dbraw/zinc/09/98/29/182099829.db2.gz LCSLWUWFQLIHHJ-UHFFFAOYSA-N 0 0 217.293 2.794 50 0 BFAARN O=C(NC1CC1)c1cc(Cl)nc2ccccc21 ZINC000004218894 182100174 /nfs/dbraw/zinc/10/01/74/182100174.db2.gz ISHDXJSQWOQIHZ-UHFFFAOYSA-N 0 0 246.697 2.780 50 0 BFAARN CC(C)C[C@H](C)N(C)C(=O)CC[C@H]1CCCO1 ZINC000040508853 373373946 /nfs/dbraw/zinc/37/39/46/373373946.db2.gz NDNVIEWESSBOOK-QWHCGFSZSA-N 0 0 241.375 2.839 50 0 BFAARN O=C(NC1CCCCC1)c1cc(Cl)ccn1 ZINC000027392822 182113193 /nfs/dbraw/zinc/11/31/93/182113193.db2.gz NXWNXOZYZLEOGK-UHFFFAOYSA-N 0 0 238.718 2.798 50 0 BFAARN O=C(NC1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000000182976 182109515 /nfs/dbraw/zinc/10/95/15/182109515.db2.gz WNIHXHZBQPHZTC-UONOGXRCSA-N 0 0 229.323 2.849 50 0 BFAARN O=C(NC1CCCC1)[C@@H]1Cc2ccccc2S1 ZINC000014267187 182109673 /nfs/dbraw/zinc/10/96/73/182109673.db2.gz WOGHONOXLYQEKZ-ZDUSSCGKSA-N 0 0 247.363 2.762 50 0 BFAARN CCc1ccc(C(=O)N(C)[C@H](C)C2CC2)o1 ZINC000040511023 373409075 /nfs/dbraw/zinc/40/90/75/373409075.db2.gz PJUYKLRQCIIKQN-SECBINFHSA-N 0 0 221.300 2.713 50 0 BFAARN CCCn1nccc1NC(=O)/C=C/c1ccco1 ZINC000040516383 373419455 /nfs/dbraw/zinc/41/94/55/373419455.db2.gz SMIGYDKQJOAFHR-AATRIKPKSA-N 0 0 245.282 2.538 50 0 BFAARN O=C(NCC1(c2cccs2)CC1)c1ccco1 ZINC000022680125 182132643 /nfs/dbraw/zinc/13/26/43/182132643.db2.gz DWXMZOWUDBBJCR-UHFFFAOYSA-N 0 0 247.319 2.803 50 0 BFAARN O=C(NCC1(O)CCCCC1)Nc1ccccc1 ZINC000058222987 182132651 /nfs/dbraw/zinc/13/26/51/182132651.db2.gz BTODLLZXTMINMK-UHFFFAOYSA-N 0 0 248.326 2.503 50 0 BFAARN O=C(NCC1(c2ccccc2)CC1)N1CCCC1 ZINC000045299433 182132867 /nfs/dbraw/zinc/13/28/67/182132867.db2.gz QLRSLJZYRWYGKZ-UHFFFAOYSA-N 0 0 244.338 2.524 50 0 BFAARN CCCCNC(=O)Cc1ccc(Cl)cc1F ZINC000072119151 168846984 /nfs/dbraw/zinc/84/69/84/168846984.db2.gz ATHIHJOUERIPLT-UHFFFAOYSA-N 0 0 243.709 2.938 50 0 BFAARN O=C(NCCCCc1ccccc1)C1CC1 ZINC000002080127 182165271 /nfs/dbraw/zinc/16/52/71/182165271.db2.gz RRXJEUMJDBXJJT-UHFFFAOYSA-N 0 0 217.312 2.536 50 0 BFAARN O=C(NCCCC1CCCC1)C1CCC1 ZINC000044632990 182160407 /nfs/dbraw/zinc/16/04/07/182160407.db2.gz XJXIROJNHSKYKO-UHFFFAOYSA-N 0 0 209.333 2.873 50 0 BFAARN CCCCNC(=O)Nc1cc(C)ccc1OC ZINC000002171994 168852403 /nfs/dbraw/zinc/85/24/03/168852403.db2.gz GXKWBKAKMUEFHR-UHFFFAOYSA-N 0 0 236.315 2.925 50 0 BFAARN O=C(NCCc1ccco1)Nc1ccccc1F ZINC000032869817 182208103 /nfs/dbraw/zinc/20/81/03/182208103.db2.gz ZVKYMHOLWVAPES-UHFFFAOYSA-N 0 0 248.257 2.783 50 0 BFAARN Cc1ccc(F)cc1C(=O)Nc1ccccn1 ZINC000009338628 374021450 /nfs/dbraw/zinc/02/14/50/374021450.db2.gz BLWYPLWAIISNPN-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN CCCCNC(=O)[C@@H](C)Oc1ccccc1C ZINC000020487824 168855856 /nfs/dbraw/zinc/85/58/56/168855856.db2.gz NRUCLARIMPFLGQ-GFCCVEGCSA-N 0 0 235.327 2.679 50 0 BFAARN C/C=C/C=C/C(=O)Nc1ccc(OC)c(OC)c1 ZINC000009499302 374142425 /nfs/dbraw/zinc/14/24/25/374142425.db2.gz SZNHISOVDGFECZ-YTXTXJHMSA-N 0 0 247.294 2.775 50 0 BFAARN Cc1ccc(NC(=O)c2cscn2)cc1 ZINC000041506700 374143299 /nfs/dbraw/zinc/14/32/99/374143299.db2.gz PGXAHXNAGGALMV-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN O=C(NCc1ccc(O)cc1)Nc1ccccc1 ZINC000015589885 182251860 /nfs/dbraw/zinc/25/18/60/182251860.db2.gz PMHBKSSMPNILRZ-UHFFFAOYSA-N 0 0 242.278 2.714 50 0 BFAARN O=C(NCc1ccncc1)Nc1cccc(F)c1 ZINC000004030088 182264236 /nfs/dbraw/zinc/26/42/36/182264236.db2.gz LYFZNRMUFWXVJB-UHFFFAOYSA-N 0 0 245.257 2.542 50 0 BFAARN O=C(NCc1ccccc1)C1CCCCC1 ZINC000000409042 182256159 /nfs/dbraw/zinc/25/61/59/182256159.db2.gz KYIUKSZCASTDGQ-UHFFFAOYSA-N 0 0 217.312 2.883 50 0 BFAARN O=C(NCc1ccccc1F)C1CCCC1 ZINC000013327448 182256557 /nfs/dbraw/zinc/25/65/57/182256557.db2.gz QFSHHIWFFLPBLJ-UHFFFAOYSA-N 0 0 221.275 2.632 50 0 BFAARN O=C(NCc1ccccc1)c1ccc(Cl)nc1 ZINC000000413099 182257513 /nfs/dbraw/zinc/25/75/13/182257513.db2.gz JSNLXSVLOIAAEQ-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN O=C(NCc1ccccn1)Nc1ccccc1F ZINC000005740958 182258258 /nfs/dbraw/zinc/25/82/58/182258258.db2.gz WHGSBMUYSSVXCZ-UHFFFAOYSA-N 0 0 245.257 2.542 50 0 BFAARN O=C(NCc1cccnc1)Nc1ccc(F)cc1 ZINC000000393480 182259650 /nfs/dbraw/zinc/25/96/50/182259650.db2.gz RLHSSRSDLZYQPT-UHFFFAOYSA-N 0 0 245.257 2.542 50 0 BFAARN O=C(NCc1ccoc1)C1(c2ccccc2)CC1 ZINC000071820887 182266014 /nfs/dbraw/zinc/26/60/14/182266014.db2.gz GVPHCOIRARTQNX-UHFFFAOYSA-N 0 0 241.290 2.628 50 0 BFAARN O=C(NCc1ccco1)[C@@H]1[C@H]2C=CCCCC[C@H]21 ZINC000001013494 182261745 /nfs/dbraw/zinc/26/17/45/182261745.db2.gz ZZYJXLSLHDDCAV-BFHYXJOUSA-N 0 0 245.322 2.888 50 0 BFAARN O=C(CCCc1cccs1)NCC1CC1 ZINC000042652354 374281607 /nfs/dbraw/zinc/28/16/07/374281607.db2.gz RKIXYIQTLYDSBQ-UHFFFAOYSA-N 0 0 223.341 2.597 50 0 BFAARN O=C(N[C@@H]1CCCc2occc21)c1ccoc1 ZINC000069436042 182302910 /nfs/dbraw/zinc/30/29/10/182302910.db2.gz JHONZSCLCAKNIN-LLVKDONJSA-N 0 0 231.251 2.680 50 0 BFAARN O=C(N[C@@H]1CCOc2ccccc21)c1ccco1 ZINC000007214630 182307023 /nfs/dbraw/zinc/30/70/23/182307023.db2.gz UFHZMADLIUQJHE-LLVKDONJSA-N 0 0 243.262 2.533 50 0 BFAARN O=C(N[C@@H]1CCOc2ccccc21)C1CCCC1 ZINC000006542632 182307328 /nfs/dbraw/zinc/30/73/28/182307328.db2.gz SOEAYADLXRXWBO-CYBMUJFWSA-N 0 0 245.322 2.817 50 0 BFAARN O=C(Nc1ccc(-c2cnco2)cc1)C1CC1 ZINC000000143416 182351570 /nfs/dbraw/zinc/35/15/70/182351570.db2.gz PEBNNWSFGOLCJY-UHFFFAOYSA-N 0 0 228.251 2.690 50 0 BFAARN O=C(Nc1ccc(Cl)cn1)c1ccccc1O ZINC000006668522 182353912 /nfs/dbraw/zinc/35/39/12/182353912.db2.gz HMFLQLMKAVSXEV-UHFFFAOYSA-N 0 0 248.669 2.693 50 0 BFAARN O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCO1 ZINC000006321135 182354159 /nfs/dbraw/zinc/35/41/59/182354159.db2.gz UAHCXMMEQZCSHC-JTQLQIEISA-N 0 0 243.665 2.597 50 0 BFAARN O=C(Nc1cc(F)ccc1O)[C@@H]1CC=CCC1 ZINC000098018455 182349304 /nfs/dbraw/zinc/34/93/04/182349304.db2.gz LASIGHBRVMIVPI-SECBINFHSA-N 0 0 235.258 2.826 50 0 BFAARN O=C(Nc1cccc(C(F)(F)F)c1)NC1CC1 ZINC000003136870 182367506 /nfs/dbraw/zinc/36/75/06/182367506.db2.gz YRTKQBWTSMWDFP-UHFFFAOYSA-N 0 0 244.216 2.989 50 0 BFAARN O=C(Nc1cccc(Cl)c1)N1CCCC1 ZINC000000240584 182368606 /nfs/dbraw/zinc/36/86/06/182368606.db2.gz OGFAKZKTOPZPFP-UHFFFAOYSA-N 0 0 224.691 2.968 50 0 BFAARN O=C(Nc1ccc2c(c1)CCCC2)[C@@H]1CCCO1 ZINC000004751739 182364337 /nfs/dbraw/zinc/36/43/37/182364337.db2.gz IEGQWRQNBZEMII-AWEZNQCLSA-N 0 0 245.322 2.683 50 0 BFAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000000341631 182365996 /nfs/dbraw/zinc/36/59/96/182365996.db2.gz CYJTVYOFIOTBFR-UHFFFAOYSA-N 0 0 241.246 2.668 50 0 BFAARN O=C(Nc1ccccc1Cl)c1ccccn1 ZINC000008286658 182378960 /nfs/dbraw/zinc/37/89/60/182378960.db2.gz HZVXGDNZIYQFOO-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1ccccc1)O[C@@H]1CCSC1 ZINC000000142066 182377376 /nfs/dbraw/zinc/37/73/76/182377376.db2.gz JJGVKJZQRYHNDF-SNVBAGLBSA-N 0 0 223.297 2.741 50 0 BFAARN O=C(Nc1ccccc1)c1cn2ccccc2n1 ZINC000013037789 182378233 /nfs/dbraw/zinc/37/82/33/182378233.db2.gz LANQSYRZYXGMKA-UHFFFAOYSA-N 0 0 237.262 2.587 50 0 BFAARN O=C(Nc1ccccc1-n1cccc1)C1CC1 ZINC000000363624 182378393 /nfs/dbraw/zinc/37/83/93/182378393.db2.gz VOBKYJJBWHMXKN-UHFFFAOYSA-N 0 0 226.279 2.826 50 0 BFAARN O=C(Nc1cccc(F)c1)NC1CCCC1 ZINC000006731679 182370128 /nfs/dbraw/zinc/37/01/28/182370128.db2.gz NSSVGHWBFOSKOU-UHFFFAOYSA-N 0 0 222.263 2.890 50 0 BFAARN O=C(Nc1cccc(F)c1)[C@@H]1CC1(Cl)Cl ZINC000010024693 182370133 /nfs/dbraw/zinc/37/01/33/182370133.db2.gz FXUZDARKUSVZEV-QMMMGPOBSA-N 0 0 248.084 2.958 50 0 BFAARN O=C(Nc1cccc2cccnc21)C1CCC1 ZINC000008747905 182373902 /nfs/dbraw/zinc/37/39/02/182373902.db2.gz GOQLTNHGTNLZET-UHFFFAOYSA-N 0 0 226.279 2.973 50 0 BFAARN O=C(Nc1ccsc1)c1ccc2[nH]cnc2c1 ZINC000071921829 182391206 /nfs/dbraw/zinc/39/12/06/182391206.db2.gz VNVARKFPSNPAPP-UHFFFAOYSA-N 0 0 243.291 2.877 50 0 BFAARN O=C(Nc1ccccc1O)NC1CCCCC1 ZINC000000409062 182380114 /nfs/dbraw/zinc/38/01/14/182380114.db2.gz IQUBMVDKJOJRJK-UHFFFAOYSA-N 0 0 234.299 2.846 50 0 BFAARN O=C(Nc1ccccc1O)C1CCCCC1 ZINC000000362820 182380508 /nfs/dbraw/zinc/38/05/08/182380508.db2.gz LPODFVORBFGQCP-UHFFFAOYSA-N 0 0 219.284 2.911 50 0 BFAARN O=C(Nc1cccs1)Nc1ccccn1 ZINC000004035716 182381583 /nfs/dbraw/zinc/38/15/83/182381583.db2.gz QIVDAOQCRJAZMX-UHFFFAOYSA-N 0 0 219.269 2.787 50 0 BFAARN O=C(Nc1cccnc1)C1CCCCC1 ZINC000000342991 182382980 /nfs/dbraw/zinc/38/29/80/182382980.db2.gz VCACROIEYMIXLH-UHFFFAOYSA-N 0 0 204.273 2.600 50 0 BFAARN O=C(Nc1cccnc1)c1ccc2c(c1)CCC2 ZINC000008707315 182383989 /nfs/dbraw/zinc/38/39/89/182383989.db2.gz YWDVSCRAOAITHH-UHFFFAOYSA-N 0 0 238.290 2.823 50 0 BFAARN O=C(Nc1cccnc1)Oc1ccccc1 ZINC000000188301 182384383 /nfs/dbraw/zinc/38/43/83/182384383.db2.gz ZBELOBHZQGHUNR-UHFFFAOYSA-N 0 0 214.224 2.693 50 0 BFAARN O=C(Nc1ccncc1)NC1CCCCC1 ZINC000000409061 182385931 /nfs/dbraw/zinc/38/59/31/182385931.db2.gz CQSQWHFDVZITNP-UHFFFAOYSA-N 0 0 219.288 2.536 50 0 BFAARN O=C(Nc1ccncc1)c1ccc(F)c(F)c1 ZINC000032726002 182385939 /nfs/dbraw/zinc/38/59/39/182385939.db2.gz XTWYPYLXPGURMW-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1ccncc1)OCc1ccccc1 ZINC000000189553 182385981 /nfs/dbraw/zinc/38/59/81/182385981.db2.gz BYXMESOVSKFXEB-UHFFFAOYSA-N 0 0 228.251 2.830 50 0 BFAARN O=C(Nc1ccncc1)Oc1ccccc1 ZINC000036056283 182386968 /nfs/dbraw/zinc/38/69/68/182386968.db2.gz ASYPRKQJWDKLCV-UHFFFAOYSA-N 0 0 214.224 2.693 50 0 BFAARN O=C(Nc1ccncc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000000461489 182386978 /nfs/dbraw/zinc/38/69/78/182386978.db2.gz NOMFGVQIYPJHNJ-KGLIPLIRSA-N 0 0 238.290 2.824 50 0 in-vitro BFAARN O=C(Nc1ncccc1Cl)[C@@H]1C[C@H]1C1CC1 ZINC000097046951 182399272 /nfs/dbraw/zinc/39/92/72/182399272.db2.gz CJKHKRZLNASZQB-DTWKUNHWSA-N 0 0 236.702 2.720 50 0 BFAARN O=C(Nc1cnoc1)c1c(F)cccc1Cl ZINC000075170852 182397248 /nfs/dbraw/zinc/39/72/48/182397248.db2.gz QDXLOXOOUUHLOB-UHFFFAOYSA-N 0 0 240.621 2.719 50 0 BFAARN O=C(OCc1ccccc1)c1cccc(O)c1 ZINC000035585911 182604785 /nfs/dbraw/zinc/60/47/85/182604785.db2.gz QCLMZTCDRVMSHA-UHFFFAOYSA-N 0 0 228.247 2.749 50 0 BFAARN O=C(Oc1ccc2c(c1)OCO2)c1cccs1 ZINC000004163668 182608738 /nfs/dbraw/zinc/60/87/38/182608738.db2.gz KDYKGPCSYWBBHP-UHFFFAOYSA-N 0 0 248.259 2.696 50 0 BFAARN O=C([C@@H]1C[C@H]1c1ccccc1)N1CCCCC1 ZINC000000185983 182628609 /nfs/dbraw/zinc/62/86/09/182628609.db2.gz BYCDPTRUPKGZOX-UONOGXRCSA-N 0 0 229.323 2.803 50 0 BFAARN CCOC(=O)COc1cccc(Cl)c1Cl ZINC000000410094 170229480 /nfs/dbraw/zinc/22/94/80/170229480.db2.gz BQMMOIPXVZAINF-UHFFFAOYSA-N 0 0 249.093 2.935 50 0 BFAARN O=C(c1cc(F)c(F)cc1Cl)n1cccn1 ZINC000000191569 182649343 /nfs/dbraw/zinc/64/93/43/182649343.db2.gz YRDUVLMCSBYOHB-UHFFFAOYSA-N 0 0 242.612 2.503 50 0 BFAARN O=C(c1nccs1)c1cccc(F)c1 ZINC000015441691 182672786 /nfs/dbraw/zinc/67/27/86/182672786.db2.gz VYEBMBZNPBSCCN-UHFFFAOYSA-N 0 0 207.229 2.513 50 0 BFAARN O=C(c1ccccc1)[C@H]1N[C@H]1c1ccccc1 ZINC000057211578 182678276 /nfs/dbraw/zinc/67/82/76/182678276.db2.gz SUHPZGRFOCEHTL-KBPBESRZSA-N 0 0 223.275 2.582 50 0 BFAARN O=C(c1csc2ccccc12)n1cccn1 ZINC000000371486 182705635 /nfs/dbraw/zinc/70/56/35/182705635.db2.gz PMDFFILEMKLIDC-UHFFFAOYSA-N 0 0 228.276 2.786 50 0 BFAARN CCCCOCCOCc1cccc(N)c1 ZINC000020507359 168904799 /nfs/dbraw/zinc/90/47/99/168904799.db2.gz ZUTNCDDNIVSOKU-UHFFFAOYSA-N 0 0 223.316 2.602 50 0 BFAARN O=C1N[C@H](c2ccccc2F)Nc2ccccc21 ZINC000000290879 182821319 /nfs/dbraw/zinc/82/13/19/182821319.db2.gz KRRBJLBTJZWEEX-CYBMUJFWSA-N 0 0 242.253 2.680 50 0 BFAARN O=C1Nc2cccc(Br)c2[C@H]2C[C@@H]12 ZINC000091692568 182823006 /nfs/dbraw/zinc/82/30/06/182823006.db2.gz ICSDOBPACXLXLS-NTSWFWBYSA-N 0 0 238.084 2.505 50 0 BFAARN O=C1Nc2ccccc2/C1=C/c1cccc(O)c1 ZINC000002616192 182824880 /nfs/dbraw/zinc/82/48/80/182824880.db2.gz VHVCSZNJCUZDOG-LCYFTJDESA-N 0 0 237.258 2.885 50 0 biogenic BFAARN O=Cc1[nH]cc(C(F)(F)F)c1C(F)(F)F ZINC000002519460 182857250 /nfs/dbraw/zinc/85/72/50/182857250.db2.gz MZUMTQKUAXXJFA-UHFFFAOYSA-N 0 0 231.095 2.865 50 0 BFAARN O=Cc1c(F)c(F)c(F)cc1Br ZINC000033975855 182859133 /nfs/dbraw/zinc/85/91/33/182859133.db2.gz BXXUAIPEOHAIKN-UHFFFAOYSA-N 0 0 238.990 2.679 50 0 BFAARN O=Cc1cc(F)c(Br)cc1F ZINC000067802604 182863372 /nfs/dbraw/zinc/86/33/72/182863372.db2.gz PDRHYPUKWIHZMP-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN O=Cc1ccc(-c2ccc(O)cc2)s1 ZINC000016948118 182865093 /nfs/dbraw/zinc/86/50/93/182865093.db2.gz CTJUQMCNJMQHLD-UHFFFAOYSA-N 0 0 204.250 2.933 50 0 BFAARN CCOC(Cn1c(C)nc2ccccc21)OCC ZINC000000550410 170315910 /nfs/dbraw/zinc/31/59/10/170315910.db2.gz WRFIYWSIUUXPPB-UHFFFAOYSA-N 0 0 248.326 2.744 50 0 BFAARN O=Cc1ccc(OCc2ccccc2)c(O)c1 ZINC000002513907 182868368 /nfs/dbraw/zinc/86/83/68/182868368.db2.gz HUNGEAFDVLSPAM-UHFFFAOYSA-N 0 0 228.247 2.784 50 0 in-vitro BFAARN O=Cc1ccc(OC(=O)c2ccccc2F)cc1 ZINC000000312722 182868591 /nfs/dbraw/zinc/86/85/91/182868591.db2.gz HQYDUKQWCQKHKR-UHFFFAOYSA-N 0 0 244.221 2.857 50 0 BFAARN O=Cc1cccc(-c2cccc(C=O)c2)c1 ZINC000006221011 182870335 /nfs/dbraw/zinc/87/03/35/182870335.db2.gz KRCLRHSEMGXKMY-UHFFFAOYSA-N 0 0 210.232 2.979 50 0 BFAARN CCCCOc1ccc(C(=O)OC)cc1 ZINC000002149420 168916509 /nfs/dbraw/zinc/91/65/09/168916509.db2.gz PUHCYTHGLBCWEA-UHFFFAOYSA-N 0 0 208.257 2.652 50 0 BFAARN O=S1c2ccccc2Nc2ccccc21 ZINC000000399957 182918012 /nfs/dbraw/zinc/91/80/12/182918012.db2.gz DSAFSORWJPSMQS-UHFFFAOYSA-N 0 0 215.277 2.910 50 0 in-vitro BFAARN O=c1c(=O)c(-c2ccccc2)c1-c1ccccc1 ZINC000001712286 182982927 /nfs/dbraw/zinc/98/29/27/182982927.db2.gz WRLLWXGPZKAASP-UHFFFAOYSA-N 0 0 234.254 2.617 50 0 BFAARN O=c1ccc2cc(Br)ccc2o1 ZINC000001728863 183001118 /nfs/dbraw/zinc/00/11/18/183001118.db2.gz XXRJDOQENVGLJT-UHFFFAOYSA-N 0 0 225.041 2.556 50 0 BFAARN O=c1ccc2ccc(Cl)c(Cl)c2[nH]1 ZINC000070054931 183001580 /nfs/dbraw/zinc/00/15/80/183001580.db2.gz DIEDZHYTEWMTDR-UHFFFAOYSA-N 0 0 214.051 2.835 50 0 BFAARN O=c1ccsn1-c1ccc(F)c(Cl)c1 ZINC000012367067 183006794 /nfs/dbraw/zinc/00/67/94/183006794.db2.gz OOOJWRSQJXGEDS-UHFFFAOYSA-N 0 0 229.663 2.692 50 0 in-vivo BFAARN O=c1nc(-c2ccccc2)oc2ccccc12 ZINC000000402014 183007923 /nfs/dbraw/zinc/00/79/23/183007923.db2.gz GWDYJKXSUSPLEA-UHFFFAOYSA-N 0 0 223.231 2.855 50 0 BFAARN O=c1cnn(-c2ccccc2)c(-c2ccccc2)c1 ZINC000003173422 183008268 /nfs/dbraw/zinc/00/82/68/183008268.db2.gz VOHGVOUZCNKYHX-UHFFFAOYSA-N 0 0 248.285 2.900 50 0 BFAARN O=c1nc(-c2ccccn2)sc2ccccc12 ZINC000033979142 183008474 /nfs/dbraw/zinc/00/84/74/183008474.db2.gz GBAKVEWPYUIGHN-UHFFFAOYSA-N 0 0 240.287 2.719 50 0 in-vitro BFAARN O=C1C[C@H](c2cccc(F)c2)c2c[nH]nc2N1 ZINC000031809133 183025800 /nfs/dbraw/zinc/02/58/00/183025800.db2.gz WSZHWYIMNDGGST-SECBINFHSA-N 0 0 231.230 2.672 50 0 BFAARN OCC[C@H](c1ccccc1)C(F)(F)F ZINC000059078176 183096675 /nfs/dbraw/zinc/09/66/75/183096675.db2.gz PHGDLNUUBPOOAV-SECBINFHSA-N 0 0 204.191 2.715 50 0 BFAARN OCCOc1ccc(-c2ccccc2)cc1 ZINC000001732303 183087891 /nfs/dbraw/zinc/08/78/91/183087891.db2.gz SYULRPAQEBKROC-UHFFFAOYSA-N 0 0 214.264 2.725 50 0 BFAARN OCC[C@@H](O)n1c2ccccc2c2ccccc21 ZINC000000486205 183091246 /nfs/dbraw/zinc/09/12/46/183091246.db2.gz VWZHCSZBZYMQQM-OAHLLOKOSA-N 0 0 241.290 2.668 50 0 biogenic BFAARN CCCC[C@]1(C)Cc2ccccc2C(=O)N1 ZINC000004141450 169014939 /nfs/dbraw/zinc/01/49/39/169014939.db2.gz IKSYTJSORSQIDQ-CQSZACIVSA-N 0 0 217.312 2.921 50 0 biogenic BFAARN CCCCc1ccc(-n2cnnc2)cc1 ZINC000065384949 169019156 /nfs/dbraw/zinc/01/91/56/169019156.db2.gz CLYPMNPUAVAXRH-UHFFFAOYSA-N 0 0 201.273 2.610 50 0 BFAARN CCCCc1nncn1-c1ccc(C(C)=O)cc1 ZINC000067965433 169029211 /nfs/dbraw/zinc/02/92/11/169029211.db2.gz DDOFJJSWVRGNRD-UHFFFAOYSA-N 0 0 243.310 2.813 50 0 BFAARN CCCCn1c2ccccc2nc1[C@@H](C)NC=O ZINC000004810114 169034611 /nfs/dbraw/zinc/03/46/11/169034611.db2.gz FNXGTBITEZHEFI-LLVKDONJSA-N 0 0 245.326 2.643 50 0 BFAARN CCCCn1ncc(NCc2cccnc2)c1C ZINC000095984310 169039740 /nfs/dbraw/zinc/03/97/40/169039740.db2.gz GLYRUIMDPMUXGR-UHFFFAOYSA-N 0 0 244.342 2.999 50 0 BFAARN OCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002382220 183165066 /nfs/dbraw/zinc/16/50/66/183165066.db2.gz JRYCPYROZOWIDJ-UHFFFAOYSA-N 0 0 210.582 2.851 50 0 BFAARN OCc1c(Cl)cccc1C(F)(F)F ZINC000039712932 183160098 /nfs/dbraw/zinc/16/00/98/183160098.db2.gz AIXZCUCSYPVDQR-UHFFFAOYSA-N 0 0 210.582 2.851 50 0 BFAARN OCc1c(Cl)c(Cl)ncc1C(F)(F)F ZINC000040566582 183160281 /nfs/dbraw/zinc/16/02/81/183160281.db2.gz KPKSXPWHKRAFSF-UHFFFAOYSA-N 0 0 246.015 2.900 50 0 BFAARN OCc1cc(C(F)(F)F)c2ccccc2n1 ZINC000071261616 183160726 /nfs/dbraw/zinc/16/07/26/183160726.db2.gz RAISYORPYPURGD-UHFFFAOYSA-N 0 0 227.185 2.746 50 0 BFAARN OCc1cc(F)c(Br)cc1Cl ZINC000094986135 183161199 /nfs/dbraw/zinc/16/11/99/183161199.db2.gz PXTAPYUVMUWBII-UHFFFAOYSA-N 0 0 239.471 2.734 50 0 BFAARN OCc1cc2cc(F)cc(F)c2s1 ZINC000091701182 183161771 /nfs/dbraw/zinc/16/17/71/183161771.db2.gz XTSSRKVRAGMBEJ-UHFFFAOYSA-N 0 0 200.209 2.672 50 0 BFAARN OCc1cc2ccc(Br)cc2o1 ZINC000095626860 183161887 /nfs/dbraw/zinc/16/18/87/183161887.db2.gz SYECKXDQCBDFFX-UHFFFAOYSA-N 0 0 227.057 2.688 50 0 BFAARN OCc1ccc(-c2ccc(O)cc2)cc1 ZINC000065339936 183161978 /nfs/dbraw/zinc/16/19/78/183161978.db2.gz ITKOVDPTEKNQEL-UHFFFAOYSA-N 0 0 200.237 2.552 50 0 BFAARN OCc1ccc(-c2cccc(F)c2)cc1 ZINC000001258447 183162155 /nfs/dbraw/zinc/16/21/55/183162155.db2.gz OSBNEOSMNIVQEN-UHFFFAOYSA-N 0 0 202.228 2.985 50 0 BFAARN OCc1ccc(Cl)c(NCc2ccccn2)c1 ZINC000096489080 183165238 /nfs/dbraw/zinc/16/52/38/183165238.db2.gz ZNPPKTXKDUFRDX-UHFFFAOYSA-N 0 0 248.713 2.839 50 0 BFAARN OCc1ccc(Cl)cc1OC(F)(F)F ZINC000091251985 183165493 /nfs/dbraw/zinc/16/54/93/183165493.db2.gz DAXPTNWTUUAZSS-UHFFFAOYSA-N 0 0 226.581 2.731 50 0 BFAARN O[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000001394755 183184344 /nfs/dbraw/zinc/18/43/44/183184344.db2.gz OJLPWVOWEHJINA-VIFPVBQESA-N 0 0 215.174 2.764 50 0 BFAARN OCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000002555748 183166190 /nfs/dbraw/zinc/16/61/90/183166190.db2.gz FNWSEJASZBRBDB-UHFFFAOYSA-N 0 0 232.254 2.897 50 0 BFAARN OCc1c[nH]c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000043179083 183169459 /nfs/dbraw/zinc/16/94/59/183169459.db2.gz DVEQZFWQWROYLJ-UHFFFAOYSA-N 0 0 242.200 2.588 50 0 BFAARN O[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000004578895 183184683 /nfs/dbraw/zinc/18/46/83/183184683.db2.gz DONAZKZEGGHKRH-ZETCQYMHSA-N 0 0 210.582 2.936 50 0 BFAARN CCCN(C)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000063789399 169055470 /nfs/dbraw/zinc/05/54/70/169055470.db2.gz RWBDAHYHTPULSN-QWHCGFSZSA-N 0 0 232.327 2.594 50 0 BFAARN OCc1nc(-c2ccccc2Cl)cs1 ZINC000045206543 183170870 /nfs/dbraw/zinc/17/08/70/183170870.db2.gz DSZUFWOIRRSXHP-UHFFFAOYSA-N 0 0 225.700 2.956 50 0 BFAARN OCc1nc(-c2c(F)cccc2F)cs1 ZINC000061802785 183171000 /nfs/dbraw/zinc/17/10/00/183171000.db2.gz YLMCBYPHKNAOTH-UHFFFAOYSA-N 0 0 227.235 2.581 50 0 BFAARN CCCN(C)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000069104123 169057231 /nfs/dbraw/zinc/05/72/31/169057231.db2.gz RWBDAHYHTPULSN-OLZOCXBDSA-N 0 0 232.327 2.594 50 0 BFAARN O[C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC000043367871 183185393 /nfs/dbraw/zinc/18/53/93/183185393.db2.gz IFUMGCOCVZUIRR-ZETCQYMHSA-N 0 0 210.582 2.936 50 0 BFAARN O[C@@H](c1ccccc1)c1ccncc1Cl ZINC000035287470 183186192 /nfs/dbraw/zinc/18/61/92/183186192.db2.gz ASILDIOFOLPMLX-LBPRGKRZSA-N 0 0 219.671 2.817 50 0 BFAARN O[C@H](Cc1nc2ccccc2[nH]1)c1cccs1 ZINC000024060104 183228647 /nfs/dbraw/zinc/22/86/47/183228647.db2.gz VVNWMABUIGWULI-LLVKDONJSA-N 0 0 244.319 2.901 50 0 BFAARN O[C@@H](c1cccs1)c1ccc2c(c1)OCO2 ZINC000000054632 183229303 /nfs/dbraw/zinc/22/93/03/183229303.db2.gz LDFIRGAVJFQERU-GFCCVEGCSA-N 0 0 234.276 2.559 50 0 BFAARN O[C@@H]1Cc2ccccc2O[C@H]1c1ccccc1 ZINC000004649471 183212892 /nfs/dbraw/zinc/21/28/92/183212892.db2.gz OEIJRRGCTVHYTH-HIFRSBDPSA-N 0 0 226.275 2.724 50 0 in-vitro BFAARN O=C1C2CCCCC2=NN1Cc1ccccc1 ZINC000102035117 183255196 /nfs/dbraw/zinc/25/51/96/183255196.db2.gz GNZODPRJRHKOGK-UHFFFAOYSA-N 0 0 228.295 2.516 50 0 BFAARN O[C@H]1Cc2ccccc2O[C@@H]1c1ccccc1 ZINC000000381762 183249547 /nfs/dbraw/zinc/24/95/47/183249547.db2.gz OEIJRRGCTVHYTH-DZGCQCFKSA-N 0 0 226.275 2.724 50 0 BFAARN O[C@H]1CCCC[C@H]1n1cnc2ccccc21 ZINC000012323771 183233611 /nfs/dbraw/zinc/23/36/11/183233611.db2.gz VUBLCPRAFDAFRO-OLZOCXBDSA-N 0 0 216.284 2.512 50 0 BFAARN O=c1ccc(Cc2c(F)cccc2Cl)n[nH]1 ZINC000004002686 183271757 /nfs/dbraw/zinc/27/17/57/183271757.db2.gz KUHBNKDLHZTBJD-UHFFFAOYSA-N 0 0 238.649 2.566 50 0 BFAARN Oc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000002540210 183276695 /nfs/dbraw/zinc/27/66/95/183276695.db2.gz ZDKAPCMMTRJKTR-UHFFFAOYSA-N 0 0 212.554 2.944 50 0 BFAARN Oc1ccc([C@H](O)C(Cl)(Cl)Cl)cc1 ZINC000000477335 183277939 /nfs/dbraw/zinc/27/79/39/183277939.db2.gz BEGKQLRDEXUNOY-ZETCQYMHSA-N 0 0 241.501 2.796 50 0 BFAARN Oc1cc(Br)cc2cccnc12 ZINC000013222978 183256465 /nfs/dbraw/zinc/25/64/65/183256465.db2.gz IMUJTAIQEBHAMT-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN O=c1cc(C(F)(F)F)[nH]cc1Br ZINC000095616333 183256568 /nfs/dbraw/zinc/25/65/68/183256568.db2.gz WYYQXVGBZRSUGC-UHFFFAOYSA-N 0 0 241.994 2.569 50 0 BFAARN Oc1cc(F)c(OC(F)(F)F)c(F)c1 ZINC000091297559 183258129 /nfs/dbraw/zinc/25/81/29/183258129.db2.gz AMZMLROLIVUFOM-UHFFFAOYSA-N 0 0 214.089 2.569 50 0 BFAARN O=c1cc2c(cccc2C(F)(F)F)c[nH]1 ZINC000095616418 183261053 /nfs/dbraw/zinc/26/10/53/183261053.db2.gz FYDAYASVSFQNDS-UHFFFAOYSA-N 0 0 213.158 2.959 50 0 BFAARN Oc1ccc2nc(Br)sc2c1 ZINC000039122823 183286376 /nfs/dbraw/zinc/28/63/76/183286376.db2.gz UYPYMYKTXNNPHA-UHFFFAOYSA-N 0 0 230.086 2.764 50 0 BFAARN CCCN(CCC)c1cc(Cl)ncn1 ZINC000015021403 169152916 /nfs/dbraw/zinc/15/29/16/169152916.db2.gz YXNOZPKYQOLASD-UHFFFAOYSA-N 0 0 213.712 2.756 50 0 BFAARN Oc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000003881190 183288166 /nfs/dbraw/zinc/28/81/66/183288166.db2.gz UDVFXRGKRCNQBH-UHFFFAOYSA-N 0 0 210.236 2.936 50 0 biogenic BFAARN Oc1cccc(Cl)c1Br ZINC000002524480 183292546 /nfs/dbraw/zinc/29/25/46/183292546.db2.gz SJFAAIBDKRBLMN-UHFFFAOYSA-N 0 0 207.454 2.808 50 0 BFAARN Oc1cccc2ccc(N3CCCC3)nc12 ZINC000011920108 183298866 /nfs/dbraw/zinc/29/88/66/183298866.db2.gz VFXNXIAJNHKLIN-UHFFFAOYSA-N 0 0 214.268 2.541 50 0 BFAARN Oc1ccccc1OC(F)(F)C(F)F ZINC000002243280 183303263 /nfs/dbraw/zinc/30/32/63/183303263.db2.gz XBWDMKAWONTKRZ-UHFFFAOYSA-N 0 0 210.126 2.629 50 0 BFAARN S=c1[nH]c2ccc(Br)cc2[nH]1 ZINC000005606404 183313813 /nfs/dbraw/zinc/31/38/13/183313813.db2.gz HZTQEFLQSTYJSE-UHFFFAOYSA-N 0 0 229.102 2.988 50 0 BFAARN S=c1nc2[nH]c3cc(Cl)ccc3c2n[nH]1 ZINC000015220369 183314251 /nfs/dbraw/zinc/31/42/51/183314251.db2.gz DSTKHZIZURCMKF-UHFFFAOYSA-N 0 0 236.687 2.822 50 0 BFAARN S=c1[nH]cccc1-c1nc(C2CC2)no1 ZINC000067341068 183314626 /nfs/dbraw/zinc/31/46/26/183314626.db2.gz IEIHLMNWAQMJFJ-UHFFFAOYSA-N 0 0 219.269 2.672 50 0 BFAARN S=c1[nH]nc(C=Cc2ccccc2)[nH]1 ZINC000008981640 183315358 /nfs/dbraw/zinc/31/53/58/183315358.db2.gz ALHGVKAIXXQXJE-VOTSOKGWSA-N 0 0 203.270 2.638 50 0 BFAARN CCCN(c1ncnc(CC)c1F)C1CC1 ZINC000095467547 169183781 /nfs/dbraw/zinc/18/37/81/169183781.db2.gz MOGPDQXDKXSIRV-UHFFFAOYSA-N 0 0 223.295 2.557 50 0 BFAARN CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000004952798 169185710 /nfs/dbraw/zinc/18/57/10/169185710.db2.gz BLCHPNPGXFDKHO-UHFFFAOYSA-N 0 0 239.274 2.846 50 0 BFAARN c1cc(-c2noc([C@@H]3CCCO3)n2)cs1 ZINC000019144108 183333735 /nfs/dbraw/zinc/33/37/35/183333735.db2.gz IOTPZZNTZZPLKQ-QMMMGPOBSA-N 0 0 222.269 2.650 50 0 BFAARN c1cc2c(cccc2-c2cnc3n[nH]nc3c2)[nH]1 ZINC000067675842 183329844 /nfs/dbraw/zinc/32/98/44/183329844.db2.gz PXKDZUBCUCVXJU-UHFFFAOYSA-N 0 0 235.250 2.501 50 0 BFAARN c1cc(-c2noc(-c3ccncc3)n2)cs1 ZINC000072274894 183331206 /nfs/dbraw/zinc/33/12/06/183331206.db2.gz PITAYVOWBUBSSL-UHFFFAOYSA-N 0 0 229.264 2.860 50 0 BFAARN c1cc(-c2nnc3sc(C4CC4)nn32)cs1 ZINC000071288981 183332161 /nfs/dbraw/zinc/33/21/61/183332161.db2.gz HIVHYTAKVFCWFA-UHFFFAOYSA-N 0 0 248.336 2.792 50 0 BFAARN S=C(NCc1ccccc1)N1CCCCC1 ZINC000000466414 183311001 /nfs/dbraw/zinc/31/10/01/183311001.db2.gz ODCBSMJLEWRRSJ-UHFFFAOYSA-N 0 0 234.368 2.547 50 0 BFAARN S=C(Nc1ccccn1)c1ccccc1 ZINC000000319618 183312822 /nfs/dbraw/zinc/31/28/22/183312822.db2.gz DTWYQZKAVRVKDZ-UHFFFAOYSA-N 0 0 214.293 2.869 50 0 BFAARN c1c[nH]c(SCCCc2ccncc2)n1 ZINC000096010436 183336723 /nfs/dbraw/zinc/33/67/23/183336723.db2.gz RZAIBQFARNKXRM-UHFFFAOYSA-N 0 0 219.313 2.530 50 0 BFAARN c1cc(CCSCCc2ccncc2)ccn1 ZINC000022058218 183337681 /nfs/dbraw/zinc/33/76/81/183337681.db2.gz HMVWDRBTNXIJIX-UHFFFAOYSA-N 0 0 244.363 2.995 50 0 BFAARN CCCNC(=O)C1=Cc2ccccc2OC=C1 ZINC000012274542 169214030 /nfs/dbraw/zinc/21/40/30/169214030.db2.gz RLMDSJBCOZURCX-UHFFFAOYSA-N 0 0 229.279 2.502 50 0 BFAARN c1cc2c(ncnc2NCc2ccncc2)s1 ZINC000006347237 183354562 /nfs/dbraw/zinc/35/45/62/183354562.db2.gz NGOZMNRCPXTIAH-UHFFFAOYSA-N 0 0 242.307 2.698 50 0 BFAARN CCCNC(=O)CCc1c[nH]c2ccccc12 ZINC000013005763 169218123 /nfs/dbraw/zinc/21/81/23/169218123.db2.gz CLCPQANLQRDRBV-UHFFFAOYSA-N 0 0 230.311 2.627 50 0 BFAARN c1cc(NC2CCOCC2)cc(N2CCCC2)c1 ZINC000037775172 183357659 /nfs/dbraw/zinc/35/76/59/183357659.db2.gz XIKDWCQEZMCPCY-UHFFFAOYSA-N 0 0 246.354 2.878 50 0 BFAARN c1cc(-c2nc(C3CC3)no2)cc2c1OCC2 ZINC000098009566 183367182 /nfs/dbraw/zinc/36/71/82/183367182.db2.gz FYAPEDFSDPRDEG-UHFFFAOYSA-N 0 0 228.251 2.549 50 0 BFAARN CCCNC(=O)Nc1cc(C)ccc1C ZINC000002172134 169239267 /nfs/dbraw/zinc/23/92/67/169239267.db2.gz NDVDACOFVKOYCA-UHFFFAOYSA-N 0 0 206.289 2.835 50 0 BFAARN CCCNC(=O)Nc1c(C)cccc1C ZINC000002171848 169239656 /nfs/dbraw/zinc/23/96/56/169239656.db2.gz DZGRFHRROXDWNQ-UHFFFAOYSA-N 0 0 206.289 2.835 50 0 BFAARN CCCNC(=O)Nc1cccc(SC)c1 ZINC000040161267 169239831 /nfs/dbraw/zinc/23/98/31/169239831.db2.gz XDXUWNDKFDLNEE-UHFFFAOYSA-N 0 0 224.329 2.940 50 0 BFAARN CCCNC(=O)Nc1ccccc1CC ZINC000002166539 169240131 /nfs/dbraw/zinc/24/01/31/169240131.db2.gz GVAGTHGKZAJPCU-UHFFFAOYSA-N 0 0 206.289 2.781 50 0 BFAARN c1ccc(-c2cc(N3CCCC3)ncn2)cc1 ZINC000001286859 183379077 /nfs/dbraw/zinc/37/90/77/183379077.db2.gz VZSDQKQDVAXDRC-UHFFFAOYSA-N 0 0 225.295 2.744 50 0 BFAARN CCCNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 ZINC000072115449 169247080 /nfs/dbraw/zinc/24/70/80/169247080.db2.gz NTQKAUPRFNJPPK-LBPRGKRZSA-N 0 0 235.327 2.597 50 0 BFAARN c1cc(-c2cnc(-c3ccccn3)s2)n[nH]1 ZINC000004002651 183383331 /nfs/dbraw/zinc/38/33/31/183383331.db2.gz PVPCIYLMLUJAAJ-UHFFFAOYSA-N 0 0 228.280 2.595 50 0 BFAARN CCCNC(=O)c1cc(-c2cccs2)on1 ZINC000002497879 169249999 /nfs/dbraw/zinc/24/99/99/169249999.db2.gz HDDZHPSZZMDDIU-UHFFFAOYSA-N 0 0 236.296 2.543 50 0 BFAARN CCCNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000004680325 169250377 /nfs/dbraw/zinc/25/03/77/169250377.db2.gz PQVMCBCKHIRLNG-UHFFFAOYSA-N 0 0 236.702 2.961 50 0 BFAARN CCCNC(=O)c1cc(F)cc(Cl)c1 ZINC000261493592 169250609 /nfs/dbraw/zinc/25/06/09/169250609.db2.gz FJIZNTKZNTVRRQ-UHFFFAOYSA-N 0 0 215.655 2.619 50 0 BFAARN CCCNC(=O)c1ccccc1SC ZINC000004843337 169252594 /nfs/dbraw/zinc/25/25/94/169252594.db2.gz KESURMDZQOKNBK-UHFFFAOYSA-N 0 0 209.314 2.548 50 0 BFAARN c1ccc(CCn2nnc3ccccc32)cc1 ZINC000000148717 183397269 /nfs/dbraw/zinc/39/72/69/183397269.db2.gz GBHXISDJTKHBFA-UHFFFAOYSA-N 0 0 223.279 2.674 50 0 BFAARN CCCOc1cc(O)cc(Cl)c1OC ZINC000261494358 169315675 /nfs/dbraw/zinc/31/56/75/169315675.db2.gz VRDHKJRPZYGQNU-UHFFFAOYSA-N 0 0 216.664 2.843 50 0 BFAARN CCCOc1ccc(Br)cc1N ZINC000014630920 169316604 /nfs/dbraw/zinc/31/66/04/169316604.db2.gz YCNZOMMQQZMBKL-UHFFFAOYSA-N 0 0 230.105 2.820 50 0 BFAARN CCCNc1ccc(N)cc1Br ZINC000043596542 169295169 /nfs/dbraw/zinc/29/51/69/169295169.db2.gz PBLWLYUIANLFNC-UHFFFAOYSA-N 0 0 229.121 2.853 50 0 BFAARN CCCOc1ccc(N(C)C(=O)OC)cc1 ZINC000097013594 169319311 /nfs/dbraw/zinc/31/93/11/169319311.db2.gz LFEOGVQTQPUGCJ-UHFFFAOYSA-N 0 0 223.272 2.678 50 0 BFAARN CCCOc1ccc(NC(N)=O)cc1Cl ZINC000071808674 169319930 /nfs/dbraw/zinc/31/99/30/169319930.db2.gz ODPJKWOYEFWUHT-UHFFFAOYSA-N 0 0 228.679 2.619 50 0 BFAARN c1ccc2nc(N3CCCSCC3)cnc2c1 ZINC000071816324 183458248 /nfs/dbraw/zinc/45/82/48/183458248.db2.gz VMHSWRRTNVOPSL-UHFFFAOYSA-N 0 0 245.351 2.573 50 0 BFAARN CCCOc1ccc2cc(C(=O)OC)[nH]c2c1 ZINC000004235017 169323280 /nfs/dbraw/zinc/32/32/80/169323280.db2.gz LKIGYMCFNJXBLY-UHFFFAOYSA-N 0 0 233.267 2.743 50 0 BFAARN CCCOc1ncc(C(F)(F)F)cc1O ZINC000261493847 169328155 /nfs/dbraw/zinc/32/81/55/169328155.db2.gz KPMPILMRCULULW-UHFFFAOYSA-N 0 0 221.178 2.595 50 0 BFAARN CCC[C@@H](C)NC(=O)c1c(F)cccc1F ZINC000042141523 169368601 /nfs/dbraw/zinc/36/86/01/169368601.db2.gz HQHTVYLOPLJSGW-MRVPVSSYSA-N 0 0 227.254 2.883 50 0 BFAARN CCC[C@@H](C)NC(=O)c1ccccc1OC ZINC000001017033 169369163 /nfs/dbraw/zinc/36/91/63/169369163.db2.gz MZNRIVNAMOMSEE-SNVBAGLBSA-N 0 0 221.300 2.614 50 0 BFAARN CCC[C@@H](C)NC(=O)c1ccccc1C ZINC000000030353 169369228 /nfs/dbraw/zinc/36/92/28/169369228.db2.gz XABXIPCVAVAJRI-LLVKDONJSA-N 0 0 205.301 2.913 50 0 BFAARN CCC[C@@H](C(=O)N[C@H](C)COC)c1ccccc1 ZINC000065621875 169345453 /nfs/dbraw/zinc/34/54/53/169345453.db2.gz PEXNPUNIMLLHFL-TZMCWYRMSA-N 0 0 249.354 2.721 50 0 BFAARN c1ccc2c(c1)nncc2NCc1cccnc1 ZINC000046087272 183495042 /nfs/dbraw/zinc/49/50/42/183495042.db2.gz JSSLKQGERKWCDI-UHFFFAOYSA-N 0 0 236.278 2.637 50 0 BFAARN c1coc(CNc2ncnc3c2CCCC3)c1 ZINC000094727736 183511955 /nfs/dbraw/zinc/51/19/55/183511955.db2.gz ZLSMJGCYXGTTGQ-UHFFFAOYSA-N 0 0 229.283 2.561 50 0 BFAARN CCC[C@H](C)C(=O)NCc1ccccc1 ZINC000000030707 169472792 /nfs/dbraw/zinc/47/27/92/169472792.db2.gz GFVPUIVHIRNQGT-NSHDSACASA-N 0 0 205.301 2.739 50 0 biogenic BFAARN CC(C)(C)OC(=O)Nc1ccc(CO)cc1 ZINC000002541563 166668185 /nfs/dbraw/zinc/66/81/85/166668185.db2.gz YQKDTZYYROHLMB-UHFFFAOYSA-N 0 0 223.272 2.526 50 0 BFAARN CCCc1nnc(NCc2ccc(F)cc2)o1 ZINC000095990046 169598060 /nfs/dbraw/zinc/59/80/60/169598060.db2.gz BBSAQXJYXYDXNU-UHFFFAOYSA-N 0 0 235.262 2.773 50 0 BFAARN CCCN1C(=S)N=NC1c1ccccc1 ZINC000005904333 169614652 /nfs/dbraw/zinc/61/46/52/169614652.db2.gz ANGVLMVJJZIJFZ-UHFFFAOYSA-N 0 0 219.313 2.644 50 0 BFAARN Brc1ccc(N2CCCCC2)nc1 ZINC000019721240 532964738 /nfs/dbraw/zinc/96/47/38/532964738.db2.gz AEDSMUUEBQNEAA-UHFFFAOYSA-N 0 0 241.132 2.834 50 0 BFAARN CC(=O)Nc1c(C)c(C)c(C)c(C)c1NC(C)=O ZINC000000110331 383827521 /nfs/dbraw/zinc/82/75/21/383827521.db2.gz LCUPNXUCSZSLNV-UHFFFAOYSA-N 0 0 248.326 2.837 50 0 BFAARN COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000000036688 383818635 /nfs/dbraw/zinc/81/86/35/383818635.db2.gz NQSMEZJWJJVYOI-UHFFFAOYSA-N 0 0 240.258 2.704 50 0 BFAARN CC(=O)CC(=O)Nc1ccccc1C(F)(F)F ZINC000000050085 383819886 /nfs/dbraw/zinc/81/98/86/383819886.db2.gz VATRWWPJWVCZTA-UHFFFAOYSA-N 0 0 245.200 2.623 50 0 BFAARN C=CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000000056863 383821608 /nfs/dbraw/zinc/82/16/08/383821608.db2.gz PSGCQDPCAWOCSH-OPQQBVKSSA-N 0 0 208.301 2.930 50 0 BFAARN Cc1nc(-c2ccccc2)sc1C=O ZINC000000159072 383835685 /nfs/dbraw/zinc/83/56/85/383835685.db2.gz QRPSQJOXOZJEHJ-UHFFFAOYSA-N 0 0 203.266 2.931 50 0 BFAARN Cc1nc(-c2ccccc2)sc1CO ZINC000000159075 383836286 /nfs/dbraw/zinc/83/62/86/383836286.db2.gz JSIPFWSPCWZJIU-UHFFFAOYSA-N 0 0 205.282 2.611 50 0 BFAARN O=CN[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000000173759 383838985 /nfs/dbraw/zinc/83/89/85/383838985.db2.gz PPQYDKFQHSINPX-GFCCVEGCSA-N 0 0 248.713 2.945 50 0 BFAARN C[C@@H]1OCCN(C(=O)C2CCCCCC2)[C@H]1C ZINC000095967980 383841419 /nfs/dbraw/zinc/84/14/19/383841419.db2.gz LDQFGXJJMPERDS-RYUDHWBXSA-N 0 0 239.359 2.593 50 0 BFAARN CC(C)[C@@H]1C[C@@H](c2csc(N)n2)CCO1 ZINC000000191456 383842061 /nfs/dbraw/zinc/84/20/61/383842061.db2.gz JXYPLQDIDJLTJJ-WPRPVWTQSA-N 0 0 226.345 2.644 50 0 BFAARN CC(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C ZINC000000200813 383842375 /nfs/dbraw/zinc/84/23/75/383842375.db2.gz IBICGDODLANBBT-JTQLQIEISA-N 0 0 245.326 2.814 50 0 BFAARN CC(C)[NH+](Cc1ccc(C(=O)[O-])o1)C(C)C ZINC000000186086 383843156 /nfs/dbraw/zinc/84/31/56/383843156.db2.gz ICXXGMOHARFANT-UHFFFAOYSA-N 0 0 225.288 2.597 50 0 BFAARN CCc1cc2cc(Br)cnc2[nH]1 ZINC000066054206 383844184 /nfs/dbraw/zinc/84/41/84/383844184.db2.gz LEBUTEDILHIQJK-UHFFFAOYSA-N 0 0 225.089 2.888 50 0 BFAARN CC(C)(C)OC(=O)N1Cc2ccc(C=O)cc2C1 ZINC000066054680 383844321 /nfs/dbraw/zinc/84/43/21/383844321.db2.gz JKJAWMQWNCXRLC-UHFFFAOYSA-N 0 0 247.294 2.750 50 0 BFAARN C[C@H]1S[C@@H](c2cccc(Cl)c2)NC1=O ZINC000000208330 383845094 /nfs/dbraw/zinc/84/50/94/383845094.db2.gz DSDPWHIBVHAATJ-LDWIPMOCSA-N 0 0 227.716 2.590 50 0 BFAARN Cc1cc(C)c(C(N)=O)c(Nc2ccccc2)n1 ZINC000000238761 383845459 /nfs/dbraw/zinc/84/54/59/383845459.db2.gz YQAXTGBLDONCMW-UHFFFAOYSA-N 0 0 241.294 2.541 50 0 BFAARN Cc1n[nH]c(C)c1CCOc1ccc(F)cc1 ZINC000000210537 383845805 /nfs/dbraw/zinc/84/58/05/383845805.db2.gz HFRIXTTWAJCZAJ-UHFFFAOYSA-N 0 0 234.274 2.787 50 0 BFAARN O=C1c2ccccc2[C@@H]2OCc3ccccc3N12 ZINC000000213956 383845962 /nfs/dbraw/zinc/84/59/62/383845962.db2.gz HOGLTLSXJBYIMW-HNNXBMFYSA-N 0 0 237.258 2.876 50 0 BFAARN C[C@@H]1S[C@@H](c2cccc(Cl)c2)NC1=O ZINC000000208327 383846071 /nfs/dbraw/zinc/84/60/71/383846071.db2.gz DSDPWHIBVHAATJ-WKEGUHRASA-N 0 0 227.716 2.590 50 0 BFAARN C[C@@H]1SC2(OC1=O)C1CC3CC(C1)CC2C3 ZINC000000264354 383849086 /nfs/dbraw/zinc/84/90/86/383849086.db2.gz PYQRVDCYNOYRCX-UJPKHONOSA-N 0 0 238.352 2.817 50 0 BFAARN COc1ccc(CNc2nccs2)cc1 ZINC000000287659 383852011 /nfs/dbraw/zinc/85/20/11/383852011.db2.gz YEBFQWDWWRXAOH-UHFFFAOYSA-N 0 0 220.297 2.764 50 0 BFAARN CC(=O)c1ccc(OC(=O)N2CCCCC2)cc1 ZINC000000315753 383853533 /nfs/dbraw/zinc/85/35/33/383853533.db2.gz KTCUXQUSLWMDEX-UHFFFAOYSA-N 0 0 247.294 2.874 50 0 BFAARN COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000000304731 383854175 /nfs/dbraw/zinc/85/41/75/383854175.db2.gz BKZXJPQRDUHCJB-UHFFFAOYSA-N 0 0 229.279 2.833 50 0 BFAARN CC1=NN(C(=O)c2ccccc2)C(C)(C)C1 ZINC000000328143 383854190 /nfs/dbraw/zinc/85/41/90/383854190.db2.gz VNANOPQDFPYYLB-UHFFFAOYSA-N 0 0 216.284 2.687 50 0 BFAARN COC(=O)c1ccc(NC(C)=O)c2ccccc12 ZINC000000345647 383856754 /nfs/dbraw/zinc/85/67/54/383856754.db2.gz ILMWIDDJOFZNEV-UHFFFAOYSA-N 0 0 243.262 2.585 50 0 BFAARN Cc1cccc(C(=O)Nc2cccc(O)c2)c1 ZINC000000364211 383859403 /nfs/dbraw/zinc/85/94/03/383859403.db2.gz CNRIYHLQXUVUSU-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN Cc1ccc(C(=O)Nc2nc(C)c(C)s2)o1 ZINC000000375743 383859454 /nfs/dbraw/zinc/85/94/54/383859454.db2.gz FQNYBXCUFJFJMI-UHFFFAOYSA-N 0 0 236.296 2.914 50 0 BFAARN Cc1cccc(C(=O)Nc2ccc(O)cc2)c1 ZINC000000362904 383859568 /nfs/dbraw/zinc/85/95/68/383859568.db2.gz SAKAFVKKYGXYEN-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NCc1ccccc1Cl ZINC000000372112 383860285 /nfs/dbraw/zinc/86/02/85/383860285.db2.gz NMOUSSKELMDEIW-PSASIEDQSA-N 0 0 223.703 2.612 50 0 BFAARN C[C@H]1Oc2ccccc2O[C@@]1(O)c1ccccc1 ZINC000000391696 383862041 /nfs/dbraw/zinc/86/20/41/383862041.db2.gz OMVNOIPTRCIZJH-IAQYHMDHSA-N 0 0 242.274 2.692 50 0 BFAARN Cc1cc(C)c(N)c(Br)c1 ZINC000000393041 383862462 /nfs/dbraw/zinc/86/24/62/383862462.db2.gz YOSJCQJJIHEUKA-UHFFFAOYSA-N 0 0 200.079 2.648 50 0 BFAARN O=C1Nc2ccccc2NC(=O)c2ccccc21 ZINC000000401273 383863294 /nfs/dbraw/zinc/86/32/94/383863294.db2.gz AIGWPBSEKQCBBR-UHFFFAOYSA-N 0 0 238.246 2.505 50 0 BFAARN Cc1ccc(C(=O)Nc2ccc(N)cc2O)cc1 ZINC000000395031 383863540 /nfs/dbraw/zinc/86/35/40/383863540.db2.gz XAHAZTMHARGVKP-UHFFFAOYSA-N 0 0 242.278 2.535 50 0 BFAARN Nc1cccc(Cl)c1N1CCCCC1 ZINC000000556357 383874202 /nfs/dbraw/zinc/87/42/02/383874202.db2.gz QKXQIYIXTYLFFD-UHFFFAOYSA-N 0 0 210.708 2.913 50 0 BFAARN Cc1ccc(CNC(=O)Nc2ccccc2)n1C ZINC000000157984 383835034 /nfs/dbraw/zinc/83/50/34/383835034.db2.gz SUUBEGNKDYAZJH-UHFFFAOYSA-N 0 0 243.310 2.655 50 0 BFAARN Cc1nc(-c2ccc[nH]2)n(-c2ccc(F)cc2)n1 ZINC000067434720 383924042 /nfs/dbraw/zinc/92/40/42/383924042.db2.gz PKBLUTCRVFGXRB-UHFFFAOYSA-N 0 0 242.257 2.710 50 0 BFAARN CC(C)(C)C(=O)NC[C@@H]1CCCC1(F)F ZINC000334621439 383925296 /nfs/dbraw/zinc/92/52/96/383925296.db2.gz QNOLEFOSXXDTOH-QMMMGPOBSA-N 0 0 219.275 2.584 50 0 BFAARN Cc1nc(-c2c(C)c3cc(F)ccc3n2C)n[nH]1 ZINC000067558960 383928798 /nfs/dbraw/zinc/92/87/98/383928798.db2.gz IMFHSWWPPCULMP-UHFFFAOYSA-N 0 0 244.273 2.719 50 0 BFAARN COC(=O)c1cccc(Cl)c1Cl ZINC000001081470 383888138 /nfs/dbraw/zinc/88/81/38/383888138.db2.gz RFVULUSGHFRDHJ-UHFFFAOYSA-N 0 0 205.040 2.780 50 0 BFAARN c1coc(C[NH2+][C@@H]2CCN(c3ccccc3)C2)c1 ZINC000071882470 383888728 /nfs/dbraw/zinc/88/87/28/383888728.db2.gz XGGKMXYGRYOXGM-CYBMUJFWSA-N 0 0 242.322 2.648 50 0 BFAARN Cc1ccc(C(=O)Nc2cc(C)ccn2)o1 ZINC000001218535 383891795 /nfs/dbraw/zinc/89/17/95/383891795.db2.gz LCVZYAGDVFWUEU-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN CC(C)(C)C(=O)Nc1c(F)cccc1F ZINC000070237039 383894269 /nfs/dbraw/zinc/89/42/69/383894269.db2.gz BZTABTOJVYHWHE-UHFFFAOYSA-N 0 0 213.227 2.949 50 0 BFAARN Cc1noc(OCc2nc3ccccc3s2)n1 ZINC000071886156 383896705 /nfs/dbraw/zinc/89/67/05/383896705.db2.gz DSTBUEQRRBACLC-UHFFFAOYSA-N 0 0 247.279 2.567 50 0 BFAARN Cc1cc(=O)[nH]c(C=Cc2cc(F)ccc2F)n1 ZINC000339115327 383898288 /nfs/dbraw/zinc/89/82/88/383898288.db2.gz DLTQRIUFQMVJEJ-DJWKRKHSSA-N 0 0 248.232 2.939 50 0 BFAARN c1ccc2sc(NC[C@H]3CCCO3)nc2c1 ZINC000003245221 384002219 /nfs/dbraw/zinc/00/22/19/384002219.db2.gz ZBYZZQOXZMQOCI-SECBINFHSA-N 0 0 234.324 2.887 50 0 BFAARN CCn1ccc(C(=O)Nc2cc(C)ccc2F)n1 ZINC000002763907 383986159 /nfs/dbraw/zinc/98/61/59/383986159.db2.gz LCEYPPVTBNASFI-UHFFFAOYSA-N 0 0 247.273 2.603 50 0 BFAARN FC(F)(F)[C@H]1C[C@H](C2CC2)Nc2ccnn21 ZINC000002766446 383987409 /nfs/dbraw/zinc/98/74/09/383987409.db2.gz LDDDMXZXZTZPGS-HTQZYQBOSA-N 0 0 231.221 2.581 50 0 BFAARN COC(=O)c1cc(-c2ccccc2)ccc1O ZINC000002738223 383988087 /nfs/dbraw/zinc/98/80/87/383988087.db2.gz ANCWLMBYNOSXQA-UHFFFAOYSA-N 0 0 228.247 2.846 50 0 BFAARN c1ccc2sc(NC[C@@H]3CCCO3)nc2c1 ZINC000003245224 384002639 /nfs/dbraw/zinc/00/26/39/384002639.db2.gz ZBYZZQOXZMQOCI-VIFPVBQESA-N 0 0 234.324 2.887 50 0 BFAARN CC(=O)NCCSCc1ccccc1Cl ZINC000002985400 383997273 /nfs/dbraw/zinc/99/72/73/383997273.db2.gz RKFKUNIHFYCXBA-UHFFFAOYSA-N 0 0 243.759 2.709 50 0 BFAARN O=C(C1CCCC1)N1CCOc2cccc(F)c21 ZINC000089800189 383997882 /nfs/dbraw/zinc/99/78/82/383997882.db2.gz AGYHWJNDUUBPLY-UHFFFAOYSA-N 0 0 249.285 2.741 50 0 BFAARN CCCC[C@H](CC)C(=O)NCc1cccnc1 ZINC000002057667 383949901 /nfs/dbraw/zinc/94/99/01/383949901.db2.gz PEWOGBZGIWGIBQ-ZDUSSCGKSA-N 0 0 234.343 2.914 50 0 BFAARN FC(F)(F)c1nnc2c3ccccc3ccn21 ZINC000002172607 383953946 /nfs/dbraw/zinc/95/39/46/383953946.db2.gz VCCLTMGHQTUHGC-UHFFFAOYSA-N 0 0 237.184 2.901 50 0 BFAARN CC(=O)Oc1ccc2cc(OC(C)=O)ccc2c1 ZINC000002168218 383954519 /nfs/dbraw/zinc/95/45/19/383954519.db2.gz JTUIDPCUTRXCPW-UHFFFAOYSA-N 0 0 244.246 2.690 50 0 BFAARN C=CC(=O)OC(C)(C(F)(F)F)C(F)(F)F ZINC000002243142 383957044 /nfs/dbraw/zinc/95/70/44/383957044.db2.gz ZGCKGVIUMPSSEG-UHFFFAOYSA-N 0 0 236.111 2.599 50 0 BFAARN CCOC(=O)CCCCCCC(=O)C1CC1 ZINC000002379040 383959322 /nfs/dbraw/zinc/95/93/22/383959322.db2.gz OBLTUUKSOKLFNO-UHFFFAOYSA-N 0 0 226.316 2.869 50 0 BFAARN Cc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 ZINC000008208294 383961659 /nfs/dbraw/zinc/96/16/59/383961659.db2.gz JFRFROAKFMUGLR-UHFFFAOYSA-N 0 0 230.292 2.613 50 0 BFAARN COc1cc2[nH]ccc2c(Br)c1 ZINC000002384056 383961730 /nfs/dbraw/zinc/96/17/30/383961730.db2.gz CZJYKEPYJHPVOD-UHFFFAOYSA-N 0 0 226.073 2.939 50 0 BFAARN NNc1ccccc1OCc1ccccc1 ZINC000002505847 383966223 /nfs/dbraw/zinc/96/62/23/383966223.db2.gz JTJXTSWJTRMFAO-UHFFFAOYSA-N 0 0 214.268 2.551 50 0 BFAARN CCOCCOc1nc2ccccc2s1 ZINC000002493904 383966270 /nfs/dbraw/zinc/96/62/70/383966270.db2.gz STAVHJBEQNGQRO-UHFFFAOYSA-N 0 0 223.297 2.712 50 0 BFAARN COC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000002482946 383966738 /nfs/dbraw/zinc/96/67/38/383966738.db2.gz QDMSFKKRLBUFHN-UHFFFAOYSA-N 0 0 237.642 2.782 50 0 BFAARN Cc1ccc(CC(=O)C(F)(F)F)cc1 ZINC000002518007 383968225 /nfs/dbraw/zinc/96/82/25/383968225.db2.gz HRNIGRXLWIIPRH-UHFFFAOYSA-N 0 0 202.175 2.669 50 0 BFAARN Cc1c(F)cccc1I ZINC000002512363 383969737 /nfs/dbraw/zinc/96/97/37/383969737.db2.gz MSPXWJMFEVAKHQ-UHFFFAOYSA-N 0 0 236.027 2.739 50 0 BFAARN O=Cc1ccc(-c2ccc(F)c(F)c2)nc1 ZINC000002527588 383971670 /nfs/dbraw/zinc/97/16/70/383971670.db2.gz MOBVWMGOMQHHDJ-UHFFFAOYSA-N 0 0 219.190 2.839 50 0 BFAARN O=Cc1cc(OC(F)(F)F)ccc1F ZINC000002527809 383971810 /nfs/dbraw/zinc/97/18/10/383971810.db2.gz FMDGCHMPSCBYFX-UHFFFAOYSA-N 0 0 208.110 2.537 50 0 BFAARN CNc1cc(Br)ccc1C ZINC000037368254 383974382 /nfs/dbraw/zinc/97/43/82/383974382.db2.gz DCIICBHFLJQIKA-UHFFFAOYSA-N 0 0 200.079 2.799 50 0 BFAARN CCOP(=O)(OCC)c1ccc(OC)cc1 ZINC000002560652 383975360 /nfs/dbraw/zinc/97/53/60/383975360.db2.gz OTUVLLBGFFIEJO-UHFFFAOYSA-N 0 0 244.227 2.587 50 0 BFAARN O=C1OCCC1(c1ccccc1)c1ccccc1 ZINC000002563990 383975456 /nfs/dbraw/zinc/97/54/56/383975456.db2.gz IRQJWIUKHLVISG-UHFFFAOYSA-N 0 0 238.286 2.920 50 0 BFAARN O=Cc1ccc(OC(=O)C2CCCCC2)cc1 ZINC000002565450 383976378 /nfs/dbraw/zinc/97/63/78/383976378.db2.gz CKBRDGXEMCBCOR-UHFFFAOYSA-N 0 0 232.279 2.985 50 0 BFAARN Cc1ccc(Oc2ncccc2C=O)cc1 ZINC000002569440 383976885 /nfs/dbraw/zinc/97/68/85/383976885.db2.gz LRGKZFVFBYHWIC-UHFFFAOYSA-N 0 0 213.236 2.995 50 0 BFAARN Nc1nccc(-c2ccc(F)cc2Cl)n1 ZINC000067773197 384023503 /nfs/dbraw/zinc/02/35/03/384023503.db2.gz VBEUAPUOGFURCF-UHFFFAOYSA-N 0 0 223.638 2.518 50 0 BFAARN CC(C)(C)NC(=O)Cc1cccc(Cl)c1 ZINC000067786906 384023753 /nfs/dbraw/zinc/02/37/53/384023753.db2.gz IGQAZRUUZYGXQI-UHFFFAOYSA-N 0 0 225.719 2.797 50 0 BFAARN Cc1cc(C(N)=O)ccc1Oc1ccc(O)cc1 ZINC000037732778 384003871 /nfs/dbraw/zinc/00/38/71/384003871.db2.gz YYLDPOFSEVSSTB-UHFFFAOYSA-N 0 0 243.262 2.592 50 0 BFAARN O=C([C@@H]1CCCO1)N1CCCCc2ccccc21 ZINC000089858394 384004180 /nfs/dbraw/zinc/00/41/80/384004180.db2.gz WNUXIUMPRITNLY-AWEZNQCLSA-N 0 0 245.322 2.535 50 0 BFAARN CC(C)c1noc(N2CCc3sccc3C2)n1 ZINC000089893655 384005321 /nfs/dbraw/zinc/00/53/21/384005321.db2.gz SRVLBCIBLCJWDL-UHFFFAOYSA-N 0 0 249.339 2.817 50 0 BFAARN COC[C@](O)(c1ccccc1)c1ccc(C)cc1 ZINC000068728498 384009760 /nfs/dbraw/zinc/00/97/60/384009760.db2.gz FMJQSHVBMYEJNP-INIZCTEOSA-N 0 0 242.318 2.877 50 0 BFAARN O=Cc1cc(Cc2ccccc2)cc(C=O)c1O ZINC000000291348 384010258 /nfs/dbraw/zinc/01/02/58/384010258.db2.gz SSGCDTFBOKKEAY-UHFFFAOYSA-N 0 0 240.258 2.608 50 0 BFAARN C[C@H](NC(=O)c1ccc2c(c1)OCO2)C(C)(C)C ZINC000071900033 384048595 /nfs/dbraw/zinc/04/85/95/384048595.db2.gz OEZPGJQCHBJWNB-VIFPVBQESA-N 0 0 249.310 2.580 50 0 BFAARN FC(F)(F)c1ccc(Br)cn1 ZINC000004244987 384049903 /nfs/dbraw/zinc/04/99/03/384049903.db2.gz RPFAUCIXZGMCFN-UHFFFAOYSA-N 0 0 225.995 2.863 50 0 BFAARN COC(=O)c1cc2c([nH]1)c(C)c(C)cc2C ZINC000004237922 384050843 /nfs/dbraw/zinc/05/08/43/384050843.db2.gz UGEHGELJFQLBBM-UHFFFAOYSA-N 0 0 217.268 2.880 50 0 BFAARN COC(=O)c1ccc2cc(OC)ccc2c1 ZINC000003844127 384029177 /nfs/dbraw/zinc/02/91/77/384029177.db2.gz ZLVPRNFYGCBLDS-UHFFFAOYSA-N 0 0 216.236 2.635 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000004651197 384036180 /nfs/dbraw/zinc/03/61/80/384036180.db2.gz MNFOEAXSHGSEIY-GVXVVHGQSA-N 0 0 217.312 2.828 50 0 BFAARN CC(C)[C@@H]1C[C@H](C)CC[C@@H]1O[C@H]1C=CC(=O)O1 ZINC000004114336 384041562 /nfs/dbraw/zinc/04/15/62/384041562.db2.gz CLAZQKKQQKBAAC-OWTLIXCDSA-N 0 0 238.327 2.903 50 0 BFAARN Cc1ccnc(Cc2ccnc(F)c2)c1 ZINC000038537457 384086913 /nfs/dbraw/zinc/08/69/13/384086913.db2.gz LNQNCCWYXSBFIL-UHFFFAOYSA-N 0 0 202.232 2.515 50 0 BFAARN C[C@H]1Oc2ccccc2O[C@]1(O)c1ccccc1 ZINC000004566060 384070188 /nfs/dbraw/zinc/07/01/88/384070188.db2.gz OMVNOIPTRCIZJH-ABAIWWIYSA-N 0 0 242.274 2.692 50 0 BFAARN CC(=O)Nc1ccc(C)c(NC(=O)C(C)C)c1 ZINC000004950081 384091053 /nfs/dbraw/zinc/09/10/53/384091053.db2.gz JIORKPSFUPQHGW-UHFFFAOYSA-N 0 0 234.299 2.548 50 0 BFAARN C/C(=C\c1ccccc1)C(=O)NCc1ccco1 ZINC000004690805 384076049 /nfs/dbraw/zinc/07/60/49/384076049.db2.gz LOBLDOKNLBEWHI-ZRDIBKRKSA-N 0 0 241.290 2.999 50 0 BFAARN O=C(CC(F)(F)F)Nc1ccc(F)cc1 ZINC000043068426 384098005 /nfs/dbraw/zinc/09/80/05/384098005.db2.gz UTRBPAUYADUJMT-UHFFFAOYSA-N 0 0 221.153 2.717 50 0 BFAARN Cc1ccc(F)c(C=O)c1C(F)(F)F ZINC000091252085 384111568 /nfs/dbraw/zinc/11/15/68/384111568.db2.gz CLGGHNMZJHOQOY-UHFFFAOYSA-N 0 0 206.138 2.965 50 0 BFAARN CC(C)(C)c1cc(C(C)(C)C)nc(N)n1 ZINC000039271146 384112352 /nfs/dbraw/zinc/11/23/52/384112352.db2.gz WDGJQAKMBHPTAB-UHFFFAOYSA-N 0 0 207.321 2.654 50 0 BFAARN Cc1cc(C=O)cc(C(F)(F)F)c1F ZINC000091252084 384112964 /nfs/dbraw/zinc/11/29/64/384112964.db2.gz FWHHVASQHPGQBB-UHFFFAOYSA-N 0 0 206.138 2.965 50 0 BFAARN FC(F)(F)Oc1cncc(Br)c1 ZINC000091297640 384114762 /nfs/dbraw/zinc/11/47/62/384114762.db2.gz LUHWDZUXNAITEB-UHFFFAOYSA-N 0 0 241.994 2.743 50 0 BFAARN Nc1cc2ccc(C(F)(F)F)cc2cn1 ZINC000091692354 384137940 /nfs/dbraw/zinc/13/79/40/384137940.db2.gz JNVIPWYNNHHWEQ-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN c1ccc(C[C@@H]2COc3ccccc3C2)nc1 ZINC000091616962 384134940 /nfs/dbraw/zinc/13/49/40/384134940.db2.gz MDXRNFYZFQXODI-GFCCVEGCSA-N 0 0 225.291 2.875 50 0 BFAARN c1ccc2c(c1)C[C@H](Cc1cccnc1)CO2 ZINC000091665250 384136833 /nfs/dbraw/zinc/13/68/33/384136833.db2.gz ZRWVAZYZCWBLGA-ZDUSSCGKSA-N 0 0 225.291 2.875 50 0 BFAARN Nc1cc(Br)cc(OC(F)F)c1 ZINC000091691922 384137197 /nfs/dbraw/zinc/13/71/97/384137197.db2.gz BSJSHGSLFVAXAK-UHFFFAOYSA-N 0 0 238.031 2.633 50 0 BFAARN Cc1ccccc1CN(C)C(=O)NC(C)C ZINC000040016078 384124614 /nfs/dbraw/zinc/12/46/14/384124614.db2.gz ZGSOTUIGNCLDJI-UHFFFAOYSA-N 0 0 220.316 2.545 50 0 BFAARN Clc1ccc2cccnc2c1Cn1ccnn1 ZINC000128061317 384125571 /nfs/dbraw/zinc/12/55/71/384125571.db2.gz MOZYSTOKXQRXGP-UHFFFAOYSA-N 0 0 244.685 2.528 50 0 BFAARN CC(C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000005906028 384138134 /nfs/dbraw/zinc/13/81/34/384138134.db2.gz JBKUUYXQAJXVSA-LBPRGKRZSA-N 0 0 219.328 2.780 50 0 BFAARN CN(Cc1ccccc1)c1ncc(C=O)s1 ZINC000006145096 384146057 /nfs/dbraw/zinc/14/60/57/384146057.db2.gz CUEILTBYBXMGNC-UHFFFAOYSA-N 0 0 232.308 2.592 50 0 BFAARN COC(=O)c1ccccc1-c1ccc(C=O)cc1 ZINC000006380065 384150278 /nfs/dbraw/zinc/15/02/78/384150278.db2.gz MNUSHZDUHWBMSZ-UHFFFAOYSA-N 0 0 240.258 2.953 50 0 BFAARN CC(=O)c1sc(Nc2ccccn2)nc1C ZINC000006389850 384151633 /nfs/dbraw/zinc/15/16/33/384151633.db2.gz HYVIYVTYOOLRJD-UHFFFAOYSA-N 0 0 233.296 2.793 50 0 BFAARN C[C@@H]1C[C@H](NC(=S)N(C)C)CC(C)(C)C1 ZINC000006437942 384152569 /nfs/dbraw/zinc/15/25/69/384152569.db2.gz SKCBGLHGCCBEEY-ZJUUUORDSA-N 0 0 228.405 2.637 50 0 BFAARN O=c1[nH]c2c(cc(Cl)cc2Cl)s1 ZINC000091688855 384138566 /nfs/dbraw/zinc/13/85/66/384138566.db2.gz FAJYYCLIPJHGRV-UHFFFAOYSA-N 0 0 220.080 2.896 50 0 BFAARN CSC[C@@H](C)C(=O)NC/C=C/c1ccccc1 ZINC000071902894 384140334 /nfs/dbraw/zinc/14/03/34/384140334.db2.gz ODSDBFBXTHXLPS-UVMWJGKXSA-N 0 0 249.379 2.815 50 0 BFAARN C[C@@H](NC(=O)CC(F)(F)F)c1ccc(F)cc1 ZINC000043071826 384144099 /nfs/dbraw/zinc/14/40/99/384144099.db2.gz FJIMPMHUVNUZRD-SSDOTTSWSA-N 0 0 249.207 2.955 50 0 BFAARN Cc1cc(Br)c(C)cc1N ZINC000007023260 384174295 /nfs/dbraw/zinc/17/42/95/384174295.db2.gz CXPJJDQQLXEYPM-UHFFFAOYSA-N 0 0 200.079 2.648 50 0 BFAARN CCc1ccc2c(c1)c(C=O)c(C)n2C ZINC000006677777 384163143 /nfs/dbraw/zinc/16/31/43/384163143.db2.gz YMQAYMRURWJBCO-UHFFFAOYSA-N 0 0 201.269 2.862 50 0 BFAARN Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCCO2)c1 ZINC000006731447 384164338 /nfs/dbraw/zinc/16/43/38/384164338.db2.gz JPYRABQDGGGWPQ-GXTWGEPZSA-N 0 0 247.338 2.660 50 0 BFAARN CCCCCC(=O)Nc1ncc(C(C)=O)s1 ZINC000071911367 384164393 /nfs/dbraw/zinc/16/43/93/384164393.db2.gz KNPRMHJMFDXYTC-UHFFFAOYSA-N 0 0 240.328 2.865 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(F)cc2F)on1 ZINC000006738050 384165767 /nfs/dbraw/zinc/16/57/67/384165767.db2.gz WKIMLBRFRFXJNX-UHFFFAOYSA-N 0 0 238.193 2.514 50 0 BFAARN C[C@@H](N[C@@H](C)C(=O)OC(C)(C)C)[C@H]1CC1(C)C ZINC000225611626 384167367 /nfs/dbraw/zinc/16/73/67/384167367.db2.gz YRVKSCJVCHRCEH-OUAUKWLOSA-N 0 0 241.375 2.741 50 0 BFAARN CC(C)COC(=O)N[C@@H](C)Cc1ccccc1 ZINC000071773239 384177323 /nfs/dbraw/zinc/17/73/23/384177323.db2.gz OHLJVSASEFVWRC-LBPRGKRZSA-N 0 0 235.327 3.000 50 0 BFAARN CCCCNc1ccc(C(=O)OCC)cc1N ZINC000041080619 384178436 /nfs/dbraw/zinc/17/84/36/384178436.db2.gz BPPIUQJSJWGCEP-UHFFFAOYSA-N 0 0 236.315 2.658 50 0 BFAARN Cc1coc2nc(Cl)nc(Cl)c12 ZINC000071791837 384180166 /nfs/dbraw/zinc/18/01/66/384180166.db2.gz OCTXLKXOUFKWPY-UHFFFAOYSA-N 0 0 203.028 2.838 50 0 BFAARN COC(=O)c1c[nH]cc1[C@@H](C)c1ccccc1 ZINC000071864054 384183226 /nfs/dbraw/zinc/18/32/26/384183226.db2.gz ILJFLMISHGBYCJ-JTQLQIEISA-N 0 0 229.279 2.953 50 0 BFAARN CNc1ncc2c(n1)-c1ccccc1SC2 ZINC000072266626 384203744 /nfs/dbraw/zinc/20/37/44/384203744.db2.gz NYLVQAFTSUVCAW-UHFFFAOYSA-N 0 0 229.308 2.791 50 0 BFAARN COC(=O)c1cc(Cl)ncc1C(F)(F)F ZINC000072265939 384203859 /nfs/dbraw/zinc/20/38/59/384203859.db2.gz NJEVEXBNCLQMAJ-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000008494711 384204057 /nfs/dbraw/zinc/20/40/57/384204057.db2.gz PHDIBQTWGZHQGF-LBPRGKRZSA-N 0 0 249.354 2.985 50 0 BFAARN Cc1cc(=O)c2c(Cl)ccc(C)c2[nH]1 ZINC000008616812 384205871 /nfs/dbraw/zinc/20/58/71/384205871.db2.gz PCKJRUQECXKAOB-UHFFFAOYSA-N 0 0 207.660 2.798 50 0 BFAARN C[C@H](NC(=O)NC1CCCCC1)c1ccncc1 ZINC000002772632 384187631 /nfs/dbraw/zinc/18/76/31/384187631.db2.gz ULXITJBFDNTQEN-NSHDSACASA-N 0 0 247.342 2.775 50 0 BFAARN Cc1nc(Br)c2ccccc2n1 ZINC000072192210 384197906 /nfs/dbraw/zinc/19/79/06/384197906.db2.gz PLCATIPCMQVWJZ-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN FC(F)(F)c1ncc(Br)s1 ZINC000072193263 384198845 /nfs/dbraw/zinc/19/88/45/384198845.db2.gz BEFIZUOVAXMSPV-UHFFFAOYSA-N 0 0 232.024 2.924 50 0 BFAARN CC(C)(C)OC(=O)N1CC2(C1)CC(F)(F)C2 ZINC000072194316 384199150 /nfs/dbraw/zinc/19/91/50/384199150.db2.gz NABSFZFNNHRMOM-UHFFFAOYSA-N 0 0 233.258 2.653 50 0 BFAARN COC(=O)c1ccc(-c2noc(C(C)C)n2)cc1 ZINC000042684351 384236408 /nfs/dbraw/zinc/23/64/08/384236408.db2.gz DHQLCHGFDBAXBP-UHFFFAOYSA-N 0 0 246.266 2.647 50 0 BFAARN O=Cc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000008731017 384210896 /nfs/dbraw/zinc/21/08/96/384210896.db2.gz BUGWBANLAMFQAX-UHFFFAOYSA-N 0 0 218.643 2.610 50 0 BFAARN Clc1nc2cc(Br)ccc2[nH]1 ZINC000008730153 384212657 /nfs/dbraw/zinc/21/26/57/384212657.db2.gz QVVZVWKGWGFUTA-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN CON[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000082128552 384216925 /nfs/dbraw/zinc/21/69/25/384216925.db2.gz CNDPWHDDYPVLAU-SSDOTTSWSA-N 0 0 219.206 2.917 50 0 BFAARN O=Cc1ccc(OC(=O)/C=C/c2ccco2)cc1 ZINC000009434950 384251977 /nfs/dbraw/zinc/25/19/77/384251977.db2.gz AABPJHPEHNKSKC-BQYQJAHWSA-N 0 0 242.230 2.711 50 0 BFAARN CCCCOC(=O)c1ccnc(Cl)c1 ZINC000043210604 384263900 /nfs/dbraw/zinc/26/39/00/384263900.db2.gz WOVLQFVLVAWPAM-UHFFFAOYSA-N 0 0 213.664 2.692 50 0 BFAARN CNc1nc(-c2ccccn2)nc(C)c1Cl ZINC000000108761 384265524 /nfs/dbraw/zinc/26/55/24/384265524.db2.gz XQVVWZJJBRCXOY-UHFFFAOYSA-N 0 0 234.690 2.542 50 0 BFAARN C[C@@H](NC(=O)NC1CC1)c1cc2ccccc2o1 ZINC000010036055 384268608 /nfs/dbraw/zinc/26/86/08/384268608.db2.gz RLJOQOJOSWBRKR-SECBINFHSA-N 0 0 244.294 2.955 50 0 BFAARN CC(C)n1ccc(C(=O)N[C@H]2C[C@@]2(C)C(C)C)n1 ZINC000408520034 384274556 /nfs/dbraw/zinc/27/45/56/384274556.db2.gz PGHXUNMZTUIGFX-JSGCOSHPSA-N 0 0 249.358 2.628 50 0 BFAARN CC(C)c1nsc(NCCc2ccc[nH]2)n1 ZINC000097047869 384305093 /nfs/dbraw/zinc/30/50/93/384305093.db2.gz WDXPCWLGFKHHLO-UHFFFAOYSA-N 0 0 236.344 2.644 50 0 BFAARN O=C1Nc2ccccc2/C1=C/NC1CCCCC1 ZINC000012341294 384310741 /nfs/dbraw/zinc/31/07/41/384310741.db2.gz UIEVIIZUXYAQAR-RAXLEYEMSA-N 0 0 242.322 2.902 50 0 BFAARN O=Cc1cccnc1OC1CCCCC1 ZINC000012359589 384312640 /nfs/dbraw/zinc/31/26/40/384312640.db2.gz WIOHBXICNUXKTL-UHFFFAOYSA-N 0 0 205.257 2.606 50 0 BFAARN CC(=O)c1cc(C)c(Br)cc1O ZINC000012359527 384313730 /nfs/dbraw/zinc/31/37/30/384313730.db2.gz BPQABGQSVOUODJ-UHFFFAOYSA-N 0 0 229.073 2.666 50 0 BFAARN CC(C)CCNC(=O)c1ccccc1F ZINC000000362722 384317482 /nfs/dbraw/zinc/31/74/82/384317482.db2.gz HQURIOKKGUZWCC-UHFFFAOYSA-N 0 0 209.264 2.602 50 0 BFAARN Cc1ccc(OCC(F)(F)F)c(N)c1 ZINC000012505566 384322965 /nfs/dbraw/zinc/32/29/65/384322965.db2.gz KEZYPLOSCUQEMB-UHFFFAOYSA-N 0 0 205.179 2.518 50 0 BFAARN C[C@H]1Oc2c(ccc(Cl)c2Cl)C1=O ZINC000043633057 384288812 /nfs/dbraw/zinc/28/88/12/384288812.db2.gz OLJHNKHHGCVVDO-SCSAIBSYSA-N 0 0 217.051 2.957 50 0 BFAARN CCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000011535920 384288852 /nfs/dbraw/zinc/28/88/52/384288852.db2.gz NKUWOPWNSIKZQX-UHFFFAOYSA-N 0 0 226.279 2.896 50 0 BFAARN O=C(/C=C/c1cccc(Cl)c1)NC1CC1 ZINC000000253713 384298561 /nfs/dbraw/zinc/29/85/61/384298561.db2.gz IRIKHRXRQWFJQC-QPJJXVBHSA-N 0 0 221.687 2.632 50 0 BFAARN COc1ccc(C)nc1NCc1c(C)noc1C ZINC000097045284 384303444 /nfs/dbraw/zinc/30/34/44/384303444.db2.gz KUNCHXKSKLCOBR-UHFFFAOYSA-N 0 0 247.298 2.616 50 0 BFAARN C[C@@H](NC(=O)NC1CC1)c1ccccc1Cl ZINC000012894653 384340215 /nfs/dbraw/zinc/34/02/15/384340215.db2.gz GINYPXYHLSXPBZ-MRVPVSSYSA-N 0 0 238.718 2.863 50 0 BFAARN CSCC(=O)Nc1c(C)cc(C)cc1C ZINC000032978757 384340313 /nfs/dbraw/zinc/34/03/13/384340313.db2.gz SEHHVODKDRDYNP-UHFFFAOYSA-N 0 0 223.341 2.913 50 0 BFAARN CCN(CC)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC000012900673 384341274 /nfs/dbraw/zinc/34/12/74/384341274.db2.gz IXJQPRMKCKUIQV-UHFFFAOYSA-N 0 0 230.311 2.958 50 0 BFAARN C[C@@H](NC(=O)N1CCc2ccccc2C1)C1CC1 ZINC000012921980 384341716 /nfs/dbraw/zinc/34/17/16/384341716.db2.gz MYCDZAVKFICKRT-LLVKDONJSA-N 0 0 244.338 2.553 50 0 BFAARN Cc1ccc(C)c([C@@H](C)NC(=O)C2CC2)c1 ZINC000012976138 384344516 /nfs/dbraw/zinc/34/45/16/384344516.db2.gz DKEKGYLJRSPURB-LLVKDONJSA-N 0 0 217.312 2.891 50 0 BFAARN COc1ccc(Cn2cc[nH]c2=S)cc1 ZINC000013776288 384373683 /nfs/dbraw/zinc/37/36/83/384373683.db2.gz MKYOHTKSEDVAKU-UHFFFAOYSA-N 0 0 220.297 2.603 50 0 BFAARN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCO1 ZINC000013019750 384346762 /nfs/dbraw/zinc/34/67/62/384346762.db2.gz FWGQNVBLDOZHLS-NSHDSACASA-N 0 0 239.702 2.766 50 0 BFAARN COCCn1c2ccccc2nc1C(C)C ZINC000013143417 384349665 /nfs/dbraw/zinc/34/96/65/384349665.db2.gz IUWGYEUCXNCELH-UHFFFAOYSA-N 0 0 218.300 2.806 50 0 BFAARN c1ccc(SCc2cccnc2)nc1 ZINC000013282967 384352171 /nfs/dbraw/zinc/35/21/71/384352171.db2.gz HSXDYHXBGMQDNZ-UHFFFAOYSA-N 0 0 202.282 2.769 50 0 BFAARN Cc1noc(C)c1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000013329525 384355629 /nfs/dbraw/zinc/35/56/29/384355629.db2.gz CXIPWBPNSSYTOB-GZMMTYOYSA-N 0 0 236.315 2.600 50 0 BFAARN Cc1cc(C(=O)N[C@H](C)c2ccc(C)cc2)no1 ZINC000013327670 384356629 /nfs/dbraw/zinc/35/66/29/384356629.db2.gz XKCUKTHUIMQRDV-LLVKDONJSA-N 0 0 244.294 2.782 50 0 BFAARN Cc1cc(=O)[nH]c(C23CC4CC(CC(C4)C2)C3)n1 ZINC000013467766 384357703 /nfs/dbraw/zinc/35/77/03/384357703.db2.gz LDAGZCYJKXNMMG-UHFFFAOYSA-N 0 0 244.338 2.546 50 0 BFAARN O=C(c1ccccc1)N(CC1CC1)C1CC1 ZINC000076252026 384364865 /nfs/dbraw/zinc/36/48/65/384364865.db2.gz VHPCGYIQGYYUIB-UHFFFAOYSA-N 0 0 215.296 2.701 50 0 BFAARN CON(C)C(=O)/C=C/[C@@H](C)CCC=C(C)C ZINC000095218142 384368030 /nfs/dbraw/zinc/36/80/30/384368030.db2.gz NDIWFAPLPTUGNF-VMPCVLLUSA-N 0 0 225.332 2.945 50 0 BFAARN Cc1cc(C)c(NC(=S)N(C)C)cc1C ZINC000013658975 384368829 /nfs/dbraw/zinc/36/88/29/384368829.db2.gz KWZNNBMPOXVUQZ-UHFFFAOYSA-N 0 0 222.357 2.870 50 0 BFAARN Nc1cccc2c1ncn2Cc1ccccc1 ZINC000095217990 384368981 /nfs/dbraw/zinc/36/89/81/384368981.db2.gz CCLYBXATLKLSKT-UHFFFAOYSA-N 0 0 223.279 2.667 50 0 BFAARN Cc1noc(-c2ccsc2Br)n1 ZINC000095215821 384369361 /nfs/dbraw/zinc/36/93/61/384369361.db2.gz YSEGDMVBZMNWOR-UHFFFAOYSA-N 0 0 245.101 2.869 50 0 BFAARN O=c1c2ccccc2cc2[nH]c3ccccc3n21 ZINC000095346828 384369694 /nfs/dbraw/zinc/36/96/94/384369694.db2.gz CLRRADVYJALFRS-UHFFFAOYSA-N 0 0 234.258 2.629 50 0 BFAARN CC(=O)N1CCC[C@@H]1c1cccc(C)c1C ZINC000095401333 384375029 /nfs/dbraw/zinc/37/50/29/384375029.db2.gz VONYLSRDYWMGDN-CQSZACIVSA-N 0 0 217.312 2.987 50 0 BFAARN CC(C)c1cc(NCC[C@H]2CCCCO2)ncn1 ZINC000095375470 384372436 /nfs/dbraw/zinc/37/24/36/384372436.db2.gz ZUVQTRBPWRPVNV-GFCCVEGCSA-N 0 0 249.358 2.971 50 0 BFAARN CCC[C@H](C)NC(=O)c1ccc(F)cc1F ZINC000012552287 384325753 /nfs/dbraw/zinc/32/57/53/384325753.db2.gz GHWKVAJIQVPPPD-QMMMGPOBSA-N 0 0 227.254 2.883 50 0 BFAARN COC[C@@H](C)CNc1nc2ccccc2o1 ZINC000044477338 384332278 /nfs/dbraw/zinc/33/22/78/384332278.db2.gz XDNUHARCKYAFOZ-VIFPVBQESA-N 0 0 220.272 2.522 50 0 BFAARN Cc1[nH]nc2cc(F)c(Br)cc12 ZINC000075629414 384332795 /nfs/dbraw/zinc/33/27/95/384332795.db2.gz LAHMHTLOIHUMFQ-UHFFFAOYSA-N 0 0 229.052 2.773 50 0 BFAARN CC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000045426191 384392092 /nfs/dbraw/zinc/39/20/92/384392092.db2.gz LZKLZUCQDGLRDI-QMMMGPOBSA-N 0 0 211.692 2.879 50 0 BFAARN CC(C)(C)OC(=O)N1CC[C@H](c2ccncc2)C1 ZINC000095802915 384398039 /nfs/dbraw/zinc/39/80/39/384398039.db2.gz LOTBGBMAQSVUKN-LBPRGKRZSA-N 0 0 248.326 2.806 50 0 BFAARN Cc1cn(-c2ccc(Br)cc2)cn1 ZINC000095915794 384407093 /nfs/dbraw/zinc/40/70/93/384407093.db2.gz RHUGYTKASKANII-UHFFFAOYSA-N 0 0 237.100 2.943 50 0 BFAARN Fc1cc(Cl)ncc1Br ZINC000095932333 384410671 /nfs/dbraw/zinc/41/06/71/384410671.db2.gz IHOUCYWEAFGESV-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN C[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000096026223 384420880 /nfs/dbraw/zinc/42/08/80/384420880.db2.gz LSNCNPGUJAFNAO-NSHDSACASA-N 0 0 217.312 2.849 50 0 BFAARN CC(=O)N1CCCc2cc(Cl)cc(F)c21 ZINC000095394323 384375932 /nfs/dbraw/zinc/37/59/32/384375932.db2.gz OTJFIMYPCHWLKF-UHFFFAOYSA-N 0 0 227.666 2.778 50 0 BFAARN COC(=O)c1ccc2ncn(C3CCCC3)c2c1 ZINC000095495611 384377500 /nfs/dbraw/zinc/37/75/00/384377500.db2.gz MQSPJBPQCDQMKZ-UHFFFAOYSA-N 0 0 244.294 2.938 50 0 BFAARN C[C@@]1(c2ccccc2)CCC[N@H+](CCC(=O)[O-])C1 ZINC000095526559 384379635 /nfs/dbraw/zinc/37/96/35/384379635.db2.gz KZCLUUSSKWSIQT-OAHLLOKOSA-N 0 0 247.338 2.515 50 0 BFAARN c1ccc(NCCc2nc3ccccc3[nH]2)nc1 ZINC000095618971 384382949 /nfs/dbraw/zinc/38/29/49/384382949.db2.gz ACCRZMDPDLXAJR-UHFFFAOYSA-N 0 0 238.294 2.613 50 0 BFAARN CSc1cnc(Br)c(F)c1 ZINC000095616446 384383421 /nfs/dbraw/zinc/38/34/21/384383421.db2.gz UMYAYFMDSKEYHI-UHFFFAOYSA-N 0 0 222.082 2.705 50 0 BFAARN Cc1ccc(OCCNC(=O)C2CCCC2)cc1 ZINC000045333556 384387042 /nfs/dbraw/zinc/38/70/42/384387042.db2.gz NQOYJDKBDQMFJY-UHFFFAOYSA-N 0 0 247.338 2.680 50 0 BFAARN CC(=O)c1ccc(F)cc1OC(F)F ZINC000047203338 384444669 /nfs/dbraw/zinc/44/46/69/384444669.db2.gz MWMOUUMPTVYZAJ-UHFFFAOYSA-N 0 0 204.147 2.630 50 0 BFAARN FC(F)(F)c1ccc(N2CN=NC2=S)cc1 ZINC000015924140 384444651 /nfs/dbraw/zinc/44/46/51/384444651.db2.gz JZQDWMJNKSREOA-UHFFFAOYSA-N 0 0 245.229 2.575 50 0 BFAARN CCCCNC(=O)c1cc(C)ccc1C ZINC000047464458 384453945 /nfs/dbraw/zinc/45/39/45/384453945.db2.gz VVDLROHXLWSHQY-UHFFFAOYSA-N 0 0 205.301 2.833 50 0 BFAARN O=Cc1ccc(Br)c(F)c1F ZINC000016159967 384454368 /nfs/dbraw/zinc/45/43/68/384454368.db2.gz IMOLPSNRLZLWQR-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN O=c1[nH]c(Nc2cccnc2)cc2ccccc21 ZINC000096034423 384427595 /nfs/dbraw/zinc/42/75/95/384427595.db2.gz SQKITEYMEDVJIE-UHFFFAOYSA-N 0 0 237.262 2.667 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)c2ccco2)o1 ZINC000023305520 384437747 /nfs/dbraw/zinc/43/77/47/384437747.db2.gz HANJPEGTTPTQKU-SECBINFHSA-N 0 0 219.240 2.672 50 0 BFAARN CCN(CC(F)(F)F)C(=O)[C@H]1CC=CCC1 ZINC000097211556 384440363 /nfs/dbraw/zinc/44/03/63/384440363.db2.gz MSBCMSNNVOKINK-VIFPVBQESA-N 0 0 235.249 2.754 50 0 BFAARN O=C1c2sccc2N[C@@H]2CCCCCN12 ZINC000096511631 384462179 /nfs/dbraw/zinc/46/21/79/384462179.db2.gz FIGNDJOQOKNIOG-VIFPVBQESA-N 0 0 222.313 2.516 50 0 BFAARN Cc1cc(C(=O)Nc2cc(C(C)(C)C)on2)no1 ZINC000016604761 384462836 /nfs/dbraw/zinc/46/28/36/384462836.db2.gz MLGLDEJWYMNNPV-UHFFFAOYSA-N 0 0 249.270 2.521 50 0 BFAARN CC[C@@H](C)Nc1cccc([S@](C)=O)c1 ZINC000097232076 384463367 /nfs/dbraw/zinc/46/33/67/384463367.db2.gz QKMSWBPTRZAAAC-YMTOWFKASA-N 0 0 211.330 2.634 50 0 BFAARN Cc1ccc([C@@H](C)NC(=S)NC2CC2)c(C)c1 ZINC000016973589 384477167 /nfs/dbraw/zinc/47/71/67/384477167.db2.gz VIBCSQPCAVUSMQ-LLVKDONJSA-N 0 0 248.395 2.991 50 0 BFAARN CSC[C@H](C)NC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000097010490 384499155 /nfs/dbraw/zinc/49/91/55/384499155.db2.gz SFFGAUOYWMKFIS-OUAUKWLOSA-N 0 0 244.404 2.568 50 0 BFAARN Cc1csc2[nH]c(C3CCCC3)nc(=O)c12 ZINC000098008852 384503749 /nfs/dbraw/zinc/50/37/49/384503749.db2.gz ZYQFOOHLWJAGNF-UHFFFAOYSA-N 0 0 234.324 2.951 50 0 BFAARN Cc1[nH]nc(N)c1-c1ccccc1Cl ZINC000019045567 384509902 /nfs/dbraw/zinc/50/99/02/384509902.db2.gz JIUMPPRGTKYBHZ-UHFFFAOYSA-N 0 0 207.664 2.621 50 0 BFAARN C[C@@](O)(c1ccccc1)[C@@](C)(O)c1ccccc1 ZINC000017729151 384492591 /nfs/dbraw/zinc/49/25/91/384492591.db2.gz URPRLFISKOCZHR-IYBDPMFKSA-N 0 0 242.318 2.802 50 0 BFAARN COc1ccc(OCc2nc(C=O)cs2)cc1 ZINC000019723146 384534150 /nfs/dbraw/zinc/53/41/50/384534150.db2.gz FXJNQQGULPMGRN-UHFFFAOYSA-N 0 0 249.291 2.543 50 0 BFAARN COc1ccc(OCc2cccc(N)c2)cc1 ZINC000019263308 384513760 /nfs/dbraw/zinc/51/37/60/384513760.db2.gz OECNSKNJGUPSTD-UHFFFAOYSA-N 0 0 229.279 2.856 50 0 BFAARN c1cc(COc2cnc3ccccc3c2)no1 ZINC000187899489 384515887 /nfs/dbraw/zinc/51/58/87/384515887.db2.gz JYBSMKUHIWXVAP-UHFFFAOYSA-N 0 0 226.235 2.802 50 0 BFAARN CC(=O)CC(=O)Nc1ccc(C)cc1Cl ZINC000019413516 384522054 /nfs/dbraw/zinc/52/20/54/384522054.db2.gz WZMYPGAPLAOSDX-UHFFFAOYSA-N 0 0 225.675 2.566 50 0 BFAARN Cc1nsc(N2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000098018923 384530972 /nfs/dbraw/zinc/53/09/72/384530972.db2.gz GTEJYDFRXBXOBZ-UWVGGRQHSA-N 0 0 223.345 2.615 50 0 BFAARN Cc1ccnc(NC(=O)c2ccnc(Cl)c2)c1 ZINC000019844188 384543772 /nfs/dbraw/zinc/54/37/72/384543772.db2.gz XZWHMQPYXQNHKD-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1ccnc(NC(=O)c2ccc(N)c(C)c2)c1 ZINC000019844060 384546441 /nfs/dbraw/zinc/54/64/41/384546441.db2.gz LUWOSCKSPUBQSZ-UHFFFAOYSA-N 0 0 241.294 2.533 50 0 BFAARN CCOc1ccccc1N(C)Cc1csnn1 ZINC000188692572 384548638 /nfs/dbraw/zinc/54/86/38/384548638.db2.gz ZFIKFWKHGQYBHG-UHFFFAOYSA-N 0 0 249.339 2.573 50 0 BFAARN Cn1c(Cl)nc2ccc(Br)cc21 ZINC000080441587 384556486 /nfs/dbraw/zinc/55/64/86/384556486.db2.gz CJPTUTCWKUFTHH-UHFFFAOYSA-N 0 0 245.507 2.989 50 0 BFAARN CSc1ccc([C@@H](C)NC(=O)C2CC2)cc1 ZINC000019935147 384559135 /nfs/dbraw/zinc/55/91/35/384559135.db2.gz QZHYFFPDDOFPFA-SECBINFHSA-N 0 0 235.352 2.996 50 0 BFAARN CC(C)n1cncc1CN(C)[C@@H](C)c1ccon1 ZINC000097797455 384560627 /nfs/dbraw/zinc/56/06/27/384560627.db2.gz NGDKQZPSBMVTNA-NSHDSACASA-N 0 0 248.330 2.645 50 0 BFAARN Nc1nnc(SCCc2cccs2)s1 ZINC000060333899 384537085 /nfs/dbraw/zinc/53/70/85/384537085.db2.gz XZZLSFKHQDHCOU-UHFFFAOYSA-N 0 0 243.382 2.517 50 0 BFAARN O=Cc1c(Cl)cccc1N1CCCC1 ZINC000020078906 384574198 /nfs/dbraw/zinc/57/41/98/384574198.db2.gz AFHHLLAGAHZCKB-UHFFFAOYSA-N 0 0 209.676 2.753 50 0 BFAARN NC(=O)c1cccc2c(Cl)cccc12 ZINC000020136215 384581570 /nfs/dbraw/zinc/58/15/70/384581570.db2.gz LHLWFLNMAYVRJG-UHFFFAOYSA-N 0 0 205.644 2.592 50 0 BFAARN CC(C)C[C@H]([NH2+]C/C=C\c1ccccc1)C(=O)[O-] ZINC000098040917 384588359 /nfs/dbraw/zinc/58/83/59/384588359.db2.gz NALTXKUJVSJCET-PIZKADEWSA-N 0 0 247.338 2.789 50 0 BFAARN Cc1cc(C=O)ccc1Oc1cccnc1 ZINC000050545181 384632856 /nfs/dbraw/zinc/63/28/56/384632856.db2.gz RUHZIVBIUFNSRP-UHFFFAOYSA-N 0 0 213.236 2.995 50 0 BFAARN Nc1nc(-c2ccc(C(F)(F)F)cc2)co1 ZINC000050266320 384611252 /nfs/dbraw/zinc/61/12/52/384611252.db2.gz GIYREBFILVYDQV-UHFFFAOYSA-N 0 0 228.173 2.943 50 0 BFAARN c1cc(CN2CCCC[C@H]2c2cccnc2)n[nH]1 ZINC000020586912 384622919 /nfs/dbraw/zinc/62/29/19/384622919.db2.gz IBYKIICKDNOHCW-AWEZNQCLSA-N 0 0 242.326 2.532 50 0 BFAARN C[C@H](O)c1ccc(CNc2ncccc2F)cc1 ZINC000180425951 384593231 /nfs/dbraw/zinc/59/32/31/384593231.db2.gz PIZQCJYSHSGLNA-JTQLQIEISA-N 0 0 246.285 2.886 50 0 BFAARN CC(C)(C)c1n[nH]cc1CNc1ccc(F)cn1 ZINC000097045332 384594310 /nfs/dbraw/zinc/59/43/10/384594310.db2.gz KXQKVYIDVISXIF-UHFFFAOYSA-N 0 0 248.305 2.853 50 0 BFAARN CCCc1cc(=O)n2c3ccccc3nc2[nH]1 ZINC000100476163 384643407 /nfs/dbraw/zinc/64/34/07/384643407.db2.gz QLWZYIIEGGTQMC-UHFFFAOYSA-N 0 0 227.267 2.541 50 0 BFAARN Clc1csc2ncnc(Cl)c12 ZINC000082046511 384645101 /nfs/dbraw/zinc/64/51/01/384645101.db2.gz DGELLYDZWYBYEP-UHFFFAOYSA-N 0 0 205.069 2.998 50 0 BFAARN CC(C)CCNC(=O)/C=C/c1ccccc1 ZINC000002755356 384654659 /nfs/dbraw/zinc/65/46/59/384654659.db2.gz JEHRUVQTVGDTTB-CMDGGOBGSA-N 0 0 217.312 2.862 50 0 BFAARN O=C1Nc2ccccc2N=C2CCC[C@@H]21 ZINC000100853473 384655891 /nfs/dbraw/zinc/65/58/91/384655891.db2.gz FKFLNGUFPIVPJE-QMMMGPOBSA-N 0 0 200.241 2.511 50 0 BFAARN O=Cc1ccc(Cl)c(Br)c1 ZINC000022016804 384723816 /nfs/dbraw/zinc/72/38/16/384723816.db2.gz AKDABJGHOOCVKX-UHFFFAOYSA-N 0 0 219.465 2.915 50 0 BFAARN CC(C)c1nnc(SCc2ccncc2)n1C ZINC000075322173 384677265 /nfs/dbraw/zinc/67/72/65/384677265.db2.gz DGFYKMNZBJETPM-UHFFFAOYSA-N 0 0 248.355 2.626 50 0 BFAARN O=C(/C=C\c1ccccc1)NC1CCCC1 ZINC000033294164 384689247 /nfs/dbraw/zinc/68/92/47/384689247.db2.gz PHBMWWQRXLSNDW-KHPPLWFESA-N 0 0 215.296 2.759 50 0 BFAARN COc1cc(Cl)c(Br)cn1 ZINC000051951658 384705205 /nfs/dbraw/zinc/70/52/05/384705205.db2.gz KTPLBYFKHPABLJ-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN [NH3+]Cc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000021963179 384712484 /nfs/dbraw/zinc/71/24/84/384712484.db2.gz LRKMXKQTJKKMOQ-UHFFFAOYSA-N 0 0 241.294 2.789 50 0 BFAARN Cc1sc(C(N)=O)cc1-c1ccc(F)cc1 ZINC000086987753 384776441 /nfs/dbraw/zinc/77/64/41/384776441.db2.gz WSOQQRWSVGALGS-UHFFFAOYSA-N 0 0 235.283 2.962 50 0 BFAARN CC(C)=CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000022926683 384778454 /nfs/dbraw/zinc/77/84/54/384778454.db2.gz MJLMHSXTRGPPHC-UHFFFAOYSA-N 0 0 232.283 2.550 50 0 BFAARN C[C@H](Cc1ccoc1)NC(=O)Cc1ccsc1 ZINC000206718379 384779193 /nfs/dbraw/zinc/77/91/93/384779193.db2.gz FSGKTIIGUKOVID-SNVBAGLBSA-N 0 0 249.335 2.631 50 0 BFAARN O=C(Nc1ccccc1F)[C@H]1CCSC1 ZINC000082324106 384742687 /nfs/dbraw/zinc/74/26/87/384742687.db2.gz YPZIWSWEJDWOKE-QMMMGPOBSA-N 0 0 225.288 2.517 50 0 BFAARN Brc1nc(-c2cccnc2)cs1 ZINC000071863920 384746736 /nfs/dbraw/zinc/74/67/36/384746736.db2.gz ITEDZSJFELWCCO-UHFFFAOYSA-N 0 0 241.113 2.968 50 0 BFAARN Cc1[nH]ccc1C(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000163142224 384751050 /nfs/dbraw/zinc/75/10/50/384751050.db2.gz UWFKFOUCJKSKRU-GHMZBOCLSA-N 0 0 234.343 2.831 50 0 BFAARN CC(C)CCC[C@H](C)NC(=O)NC1CC1 ZINC000084510295 384761668 /nfs/dbraw/zinc/76/16/68/384761668.db2.gz YNASAVKMPJSPLE-JTQLQIEISA-N 0 0 212.337 2.663 50 0 BFAARN COC[C@@H](C)Nc1cccc(Br)c1 ZINC000053172261 384766723 /nfs/dbraw/zinc/76/67/23/384766723.db2.gz UPDADHRBLJXYGN-MRVPVSSYSA-N 0 0 244.132 2.896 50 0 BFAARN COC[C@H](C)Nc1cccc(Br)c1 ZINC000053172258 384766749 /nfs/dbraw/zinc/76/67/49/384766749.db2.gz UPDADHRBLJXYGN-QMMMGPOBSA-N 0 0 244.132 2.896 50 0 BFAARN CC(F)(F)c1ccc(C(=O)N2CCC2)cc1 ZINC000292288392 384783725 /nfs/dbraw/zinc/78/37/25/384783725.db2.gz STFFZQFPLONDPP-UHFFFAOYSA-N 0 0 225.238 2.644 50 0 BFAARN C[C@H]1OCC[C@H]1Nc1cccc2ccn(C)c21 ZINC000188778775 384796738 /nfs/dbraw/zinc/79/67/38/384796738.db2.gz DNJJKGRELOJJTQ-ZYHUDNBSSA-N 0 0 230.311 2.768 50 0 BFAARN O=C(CC1CCOCC1)c1ccccc1 ZINC000053765116 384808228 /nfs/dbraw/zinc/80/82/28/384808228.db2.gz NRPWUDNMAYNCCH-UHFFFAOYSA-N 0 0 204.269 2.686 50 0 BFAARN CC(=O)c1c[nH]c(C(=O)NC2CCC(C)CC2)c1 ZINC000024002892 384808393 /nfs/dbraw/zinc/80/83/93/384808393.db2.gz WPZUXXGPXRGVCU-UHFFFAOYSA-N 0 0 248.326 2.526 50 0 BFAARN CCCCOC(=O)c1ccc2c[nH]nc2c1 ZINC000026431045 384871889 /nfs/dbraw/zinc/87/18/89/384871889.db2.gz YPGSIUWSUSDDOV-UHFFFAOYSA-N 0 0 218.256 2.520 50 0 BFAARN Fc1cc(Cl)c(Br)cn1 ZINC000055161706 384874592 /nfs/dbraw/zinc/87/45/92/384874592.db2.gz APIYUIGLEOJMIY-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN CCN(CC)C(=O)c1cc2occc2c(OC)c1 ZINC000072240060 384848210 /nfs/dbraw/zinc/84/82/10/384848210.db2.gz GECZEVPGZBTWOL-UHFFFAOYSA-N 0 0 247.294 2.923 50 0 BFAARN CCCCNC(=O)c1cc2occc2c(OC)c1 ZINC000072240065 384848772 /nfs/dbraw/zinc/84/87/72/384848772.db2.gz WHEKVWXZDWZXIN-UHFFFAOYSA-N 0 0 247.294 2.971 50 0 BFAARN COc1ccccc1NC(=O)N(C)[C@H](C)C1CC1 ZINC000025511695 384856044 /nfs/dbraw/zinc/85/60/44/384856044.db2.gz IOFVOEWBTHUHFU-SNVBAGLBSA-N 0 0 248.326 2.957 50 0 BFAARN Cc1cc(C(=O)Nc2nc(C3CC3)cs2)no1 ZINC000026050637 384866212 /nfs/dbraw/zinc/86/62/12/384866212.db2.gz SYNLVTAHGMNNTO-UHFFFAOYSA-N 0 0 249.295 2.569 50 0 BFAARN Fc1ccc([C@@H]2CO2)cc1Br ZINC000055027026 384867248 /nfs/dbraw/zinc/86/72/48/384867248.db2.gz KGZGYLSAJXQGND-QMMMGPOBSA-N 0 0 217.037 2.660 50 0 BFAARN CC1(C)C(=O)C[C@@H]1OCc1ccccc1 ZINC000085504400 384953601 /nfs/dbraw/zinc/95/36/01/384953601.db2.gz OQYCKJLAKYHLTP-LBPRGKRZSA-N 0 0 204.269 2.571 50 0 BFAARN O=C1OCCC1=CNc1ccc(Cl)cc1 ZINC000106174648 384902877 /nfs/dbraw/zinc/90/28/77/384902877.db2.gz NAXALCDJYDKLJN-FPLPWBNLSA-N 0 0 223.659 2.583 50 0 BFAARN Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)oc1C ZINC000095425847 384907069 /nfs/dbraw/zinc/90/70/69/384907069.db2.gz IGEQTJKMPXMEPG-TXEJJXNPSA-N 0 0 233.311 2.769 50 0 BFAARN C[C@H]1c2cccn2CCN1C(=O)CC(C)(C)C ZINC000012985049 384940515 /nfs/dbraw/zinc/94/05/15/384940515.db2.gz GISZFBKBOANLRB-NSHDSACASA-N 0 0 234.343 2.828 50 0 BFAARN Cc1csc(CNCc2ccccc2)n1 ZINC000057394794 384944482 /nfs/dbraw/zinc/94/44/82/384944482.db2.gz QIDVQYHFJZNSGV-UHFFFAOYSA-N 0 0 218.325 2.741 50 0 BFAARN Cc1cc(=S)[nH]cc1Br ZINC000086032231 384981588 /nfs/dbraw/zinc/98/15/88/384981588.db2.gz RMCYXAWMSNCDAM-UHFFFAOYSA-N 0 0 204.092 2.815 50 0 BFAARN COc1ccc([C@@H](NC(C)=O)C(C)C)cc1 ZINC000058263949 384992346 /nfs/dbraw/zinc/99/23/46/384992346.db2.gz RTAYKUZTGUIHBT-ZDUSSCGKSA-N 0 0 221.300 2.528 50 0 BFAARN CCN(C(=O)c1cnc(C)cn1)C1CCCCC1 ZINC000058316500 384994883 /nfs/dbraw/zinc/99/48/83/384994883.db2.gz VLKZPFMPOGPRQU-UHFFFAOYSA-N 0 0 247.342 2.580 50 0 BFAARN CCN(C(=O)[C@H]1C[C@H]1C)c1ccc(F)cc1 ZINC000058324182 384996129 /nfs/dbraw/zinc/99/61/29/384996129.db2.gz IVHZQQIIQOLEKG-SKDRFNHKSA-N 0 0 221.275 2.835 50 0 BFAARN C[C@@H](C1CC1)N(C)C(=O)C1CCCCC1 ZINC000058368137 385001107 /nfs/dbraw/zinc/00/11/07/385001107.db2.gz KUDSCBAXWUZHCW-JTQLQIEISA-N 0 0 209.333 2.824 50 0 BFAARN CCCc1cc(C(=O)N2CCC[C@H](C)CC2)[nH]n1 ZINC000058423859 385002819 /nfs/dbraw/zinc/00/28/19/385002819.db2.gz LURFZKSMTYOUTN-NSHDSACASA-N 0 0 249.358 2.624 50 0 BFAARN Cc1ccc2[nH]c(C(=O)NCC3CC3)cc2c1 ZINC000029648587 385003479 /nfs/dbraw/zinc/00/34/79/385003479.db2.gz LDUUCTKWJLRQQN-UHFFFAOYSA-N 0 0 228.295 2.616 50 0 BFAARN C[C@H]1c2cccn2CCN1C(=O)/C=C/C(C)(C)C ZINC000072275270 384962367 /nfs/dbraw/zinc/96/23/67/384962367.db2.gz ZQWDAGWOSUKDGQ-GUOLPTJISA-N 0 0 246.354 2.994 50 0 BFAARN CCC[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000005794012 385049700 /nfs/dbraw/zinc/04/97/00/385049700.db2.gz SZBPHCYLXXRSEU-JTQLQIEISA-N 0 0 221.300 2.614 50 0 BFAARN COP(=O)(Cc1ccc(F)cc1)OC ZINC000060257716 385071598 /nfs/dbraw/zinc/07/15/98/385071598.db2.gz PXRXOCSAKCSLKQ-UHFFFAOYSA-N 0 0 218.164 2.812 50 0 BFAARN CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000058934661 385036797 /nfs/dbraw/zinc/03/67/97/385036797.db2.gz TVLZDIULKKPGFS-UHFFFAOYSA-N 0 0 239.123 2.538 50 0 BFAARN C[C@H](NC(=O)c1ccccc1F)C(C)(C)C ZINC000005515561 385039249 /nfs/dbraw/zinc/03/92/49/385039249.db2.gz OGGGVYDWJRJKEB-VIFPVBQESA-N 0 0 223.291 2.990 50 0 BFAARN CN(Cc1ccoc1)C(=O)Nc1ccccc1 ZINC000048769024 385042563 /nfs/dbraw/zinc/04/25/63/385042563.db2.gz RNYOCINCRYUGOI-UHFFFAOYSA-N 0 0 230.267 2.944 50 0 BFAARN Cc1ccc(C(=O)Nc2ccccc2F)o1 ZINC000005618463 385045843 /nfs/dbraw/zinc/04/58/43/385045843.db2.gz LAVAAWDCUIDVCV-UHFFFAOYSA-N 0 0 219.215 2.979 50 0 BFAARN O=C(OCCCC(F)(F)F)c1cccnc1 ZINC000157789649 385110315 /nfs/dbraw/zinc/11/03/15/385110315.db2.gz SDAOSMOEBHJELT-UHFFFAOYSA-N 0 0 233.189 2.581 50 0 BFAARN CCN(CC)c1ccc(Br)cn1 ZINC000032015733 385120719 /nfs/dbraw/zinc/12/07/19/385120719.db2.gz AUNKEVOLCMQTEY-UHFFFAOYSA-N 0 0 229.121 2.690 50 0 BFAARN CC[C@H](Oc1cc(C)c(Cl)c(C)c1)C(N)=O ZINC000061679869 385131933 /nfs/dbraw/zinc/13/19/33/385131933.db2.gz GDQNPHGMFOUFKX-JTQLQIEISA-N 0 0 241.718 2.600 50 0 BFAARN Nc1cnc2ccc(Br)cc2c1 ZINC000032099249 385132529 /nfs/dbraw/zinc/13/25/29/385132529.db2.gz SOWMKOLYWFAUPP-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Cc1c(Cl)cccc1NC(=O)NC1CC1 ZINC000006699972 385136129 /nfs/dbraw/zinc/13/61/29/385136129.db2.gz JWYMJHWKYUDCDM-UHFFFAOYSA-N 0 0 224.691 2.932 50 0 BFAARN CC(C)(C)OC(=O)c1ccc(Cl)o1 ZINC000087222901 385086502 /nfs/dbraw/zinc/08/65/02/385086502.db2.gz ZBXAZTQOCWTKLM-UHFFFAOYSA-N 0 0 202.637 2.888 50 0 BFAARN C[C@H]1CC[C@@H](n2cc(-c3ccncc3)nn2)C1 ZINC000585124313 385087507 /nfs/dbraw/zinc/08/75/07/385087507.db2.gz YABVWYOODFLASJ-CMPLNLGQSA-N 0 0 228.299 2.701 50 0 BFAARN CC[C@H](NC(=O)C(C)C)c1ccc(OC)cc1 ZINC000060640890 385095879 /nfs/dbraw/zinc/09/58/79/385095879.db2.gz FUVMUVCUKJPQMP-ZDUSSCGKSA-N 0 0 235.327 2.919 50 0 BFAARN Cc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000019821796 385096812 /nfs/dbraw/zinc/09/68/12/385096812.db2.gz OXCFAVVOCLAODI-UHFFFAOYSA-N 0 0 246.331 2.969 50 0 BFAARN Nc1ccc(-c2ccc(N)cc2F)c(F)c1 ZINC000062721763 385184901 /nfs/dbraw/zinc/18/49/01/385184901.db2.gz LSJAPRRUOIMQSN-UHFFFAOYSA-N 0 0 220.222 2.796 50 0 BFAARN C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1cccnc1 ZINC000048325886 385187558 /nfs/dbraw/zinc/18/75/58/385187558.db2.gz VMZKWCPJZLLYPZ-VXGBXAGGSA-N 0 0 230.311 2.615 50 0 BFAARN O=C(C1CCCC1)N1CCC[C@@H]1c1ccncc1 ZINC000032907474 385189400 /nfs/dbraw/zinc/18/94/00/385189400.db2.gz FOOCVYOSNXDENF-CQSZACIVSA-N 0 0 244.338 2.935 50 0 BFAARN CSC1=NCCN1c1ccc(C)cc1 ZINC000032919130 385193068 /nfs/dbraw/zinc/19/30/68/385193068.db2.gz RHKQGWGFKRVUHM-UHFFFAOYSA-N 0 0 206.314 2.534 50 0 BFAARN Cc1ccc(CNC(=O)c2ccc(C)nc2)s1 ZINC000048341843 385193127 /nfs/dbraw/zinc/19/31/27/385193127.db2.gz HBWHJGIYSWRLNT-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN C[C@@H](NC(=O)c1ccco1)c1ccccc1F ZINC000032983389 385194525 /nfs/dbraw/zinc/19/45/25/385194525.db2.gz LTBNMJBHXRHYED-SECBINFHSA-N 0 0 233.242 2.910 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2c1cccc2N ZINC000061958009 385147250 /nfs/dbraw/zinc/14/72/50/385147250.db2.gz AJOIZSPQKCKYRW-UHFFFAOYSA-N 0 0 234.299 2.566 50 0 BFAARN CCCCNC(=O)c1cc(Cl)ccc1O ZINC000012987432 385154968 /nfs/dbraw/zinc/15/49/68/385154968.db2.gz ZFUWKRVLVBZJIH-UHFFFAOYSA-N 0 0 227.691 2.576 50 0 BFAARN CCSCC[C@H](C)NC(=O)[C@@H]1CC=CCC1 ZINC000096433117 385167532 /nfs/dbraw/zinc/16/75/32/385167532.db2.gz QIJKUKCYBMTISV-NWDGAFQWSA-N 0 0 241.400 2.991 50 0 BFAARN CO[C@H](C)c1cccc(-c2ccnc(CO)c2)c1 ZINC000032558293 385172420 /nfs/dbraw/zinc/17/24/20/385172420.db2.gz YFWIVDRUSIYTOH-LLVKDONJSA-N 0 0 243.306 2.948 50 0 BFAARN CC(C)[C@@H]1OCC[C@H]1CNc1ccccn1 ZINC000096453807 385174619 /nfs/dbraw/zinc/17/46/19/385174619.db2.gz XVCYMPDDGVYKPL-AAEUAGOBSA-N 0 0 220.316 2.555 50 0 BFAARN C[C@H]1COc2ccc(Br)cc2N1 ZINC000062529566 385175822 /nfs/dbraw/zinc/17/58/22/385175822.db2.gz DAMUKFVLKNTFNK-LURJTMIESA-N 0 0 228.089 2.642 50 0 BFAARN CN(Cc1cccc(Cl)c1)C(=O)c1ccc[nH]1 ZINC000032744528 385179994 /nfs/dbraw/zinc/17/99/94/385179994.db2.gz LHHFMQWWJFWLHI-UHFFFAOYSA-N 0 0 248.713 2.940 50 0 BFAARN Cc1nc(CN[C@@H](C)c2ccc(C)c(F)c2)no1 ZINC000096492257 385231385 /nfs/dbraw/zinc/23/13/85/385231385.db2.gz OAMLDNGBROMOBY-VIFPVBQESA-N 0 0 249.289 2.676 50 0 BFAARN COC[C@@H](NCC(F)(F)F)c1ccccc1 ZINC000096491361 385232524 /nfs/dbraw/zinc/23/25/24/385232524.db2.gz YKCIYDIPAKRNEL-SNVBAGLBSA-N 0 0 233.233 2.526 50 0 BFAARN Cc1csc(C[S@](=O)c2ccoc2C)n1 ZINC000189627973 385233174 /nfs/dbraw/zinc/23/31/74/385233174.db2.gz DEIMHJKGAJROPP-HNNXBMFYSA-N 0 0 241.337 2.661 50 0 BFAARN CCCc1nc(CSCc2ccccn2)no1 ZINC000096494686 385234008 /nfs/dbraw/zinc/23/40/08/385234008.db2.gz PQLJIXUUBKZEHP-UHFFFAOYSA-N 0 0 249.339 2.851 50 0 BFAARN C[C@@H](O)[C@@H](C)c1nc2ccccc2s1 ZINC000063039734 385204975 /nfs/dbraw/zinc/20/49/75/385204975.db2.gz IPIQXWOAAIBYKG-HTQZYQBOSA-N 0 0 207.298 2.781 50 0 BFAARN FC(F)(F)CCc1nc(-c2ccccn2)no1 ZINC000065393792 385303696 /nfs/dbraw/zinc/30/36/96/385303696.db2.gz HIDGIURAURXNAE-UHFFFAOYSA-N 0 0 243.188 2.627 50 0 BFAARN CCc1ccccc1-c1ccnc(CO)c1 ZINC000065387479 385304434 /nfs/dbraw/zinc/30/44/34/385304434.db2.gz LCSRKXKVYRFDRA-UHFFFAOYSA-N 0 0 213.280 2.803 50 0 BFAARN CCCC(C)(C)NC(=O)c1cc(C(C)C)n[nH]1 ZINC000050808133 385322730 /nfs/dbraw/zinc/32/27/30/385322730.db2.gz OQHKXQXGFMVSOS-UHFFFAOYSA-N 0 0 237.347 2.842 50 0 BFAARN Cc1ccc(S(=O)(=O)C(C)(C)C)s1 ZINC000000270961 385279334 /nfs/dbraw/zinc/27/93/34/385279334.db2.gz IUYQOEIQRVMRQW-UHFFFAOYSA-N 0 0 218.343 2.629 50 0 BFAARN CCc1cccc(NC(=O)CCSC)c1 ZINC000032962632 385290848 /nfs/dbraw/zinc/29/08/48/385290848.db2.gz SIDQQQMEVUOALJ-UHFFFAOYSA-N 0 0 223.341 2.941 50 0 BFAARN CC(C)N1CC[C@@H](Sc2cccs2)C1=O ZINC000098016320 385360408 /nfs/dbraw/zinc/36/04/08/385360408.db2.gz CBCKWHAAPCKBPH-SECBINFHSA-N 0 0 241.381 2.850 50 0 BFAARN CC[C@H]1COCCN1C(=O)Nc1ccccc1C ZINC000098014197 385360993 /nfs/dbraw/zinc/36/09/93/385360993.db2.gz ZDVTXTAOHFWTNE-LBPRGKRZSA-N 0 0 248.326 2.638 50 0 BFAARN CC(C)=CCC[C@@H](C)C[C@H]1OCCN1C(C)=O ZINC000000519061 385404147 /nfs/dbraw/zinc/40/41/47/385404147.db2.gz RKYXURFVIOUABL-TZMCWYRMSA-N 0 0 239.359 2.964 50 0 biogenic BFAARN Cc1cc(C)cc(C(=O)Nc2ccon2)c1 ZINC000013745722 385415361 /nfs/dbraw/zinc/41/53/61/385415361.db2.gz ZXFUOHZKNLVICV-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN Cc1cc(C)c2c(c1)C(C)(C)CC(=O)N2 ZINC000169725195 385416857 /nfs/dbraw/zinc/41/68/57/385416857.db2.gz YXYGYFZXSBVWNM-UHFFFAOYSA-N 0 0 203.285 2.923 50 0 BFAARN FC(F)(F)c1ccncc1N1CC(F)(F)C1 ZINC000169725745 385418317 /nfs/dbraw/zinc/41/83/17/385418317.db2.gz DYHIUMNCTAVGGT-UHFFFAOYSA-N 0 0 238.159 2.556 50 0 BFAARN FC(F)(F)c1ccnc(N2CC(F)(F)C2)c1 ZINC000169725708 385418323 /nfs/dbraw/zinc/41/83/23/385418323.db2.gz IXCHRNSOTBUDEL-UHFFFAOYSA-N 0 0 238.159 2.556 50 0 BFAARN CC(=O)c1c(C)nc(-c2ccc(C)cc2)n1O ZINC000000532466 385465057 /nfs/dbraw/zinc/46/50/57/385465057.db2.gz BNWHJXUTANUZIZ-UHFFFAOYSA-N 0 0 230.267 2.607 50 0 BFAARN Cc1ccc(C(=O)Nc2ccccn2)cc1F ZINC000012527293 385495165 /nfs/dbraw/zinc/49/51/65/385495165.db2.gz VMCLOCAZUBCZSU-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN C[C@@H](C[C@H]1OC[C@@H](C)O1)c1ccccc1 ZINC000101619919 385577633 /nfs/dbraw/zinc/57/76/33/385577633.db2.gz JVVKHPVHCMSPGX-LOWVWBTDSA-N 0 0 206.285 2.942 50 0 BFAARN CCCc1nccn1-c1cc(C)ccn1 ZINC000065403566 385627947 /nfs/dbraw/zinc/62/79/47/385627947.db2.gz VLYSSHBJGZMNPR-UHFFFAOYSA-N 0 0 201.273 2.528 50 0 BFAARN C[C@]1(n2nnc3ccccc32)CC1(Cl)Cl ZINC000004776226 385608502 /nfs/dbraw/zinc/60/85/02/385608502.db2.gz CUOGNTJJQMOZST-VIFPVBQESA-N 0 0 242.109 2.724 50 0 BFAARN Cc1c(CN2CC[C@H]2c2cccs2)cnn1C ZINC000252483713 385651100 /nfs/dbraw/zinc/65/11/00/385651100.db2.gz FHHNXFDAQXTZDI-LBPRGKRZSA-N 0 0 247.367 2.737 50 0 BFAARN CNc1ccc(-c2cccc(C=O)n2)cc1 ZINC000255188844 385712475 /nfs/dbraw/zinc/71/24/75/385712475.db2.gz LZIBLBKOAWHXTF-UHFFFAOYSA-N 0 0 212.252 2.603 50 0 BFAARN CC(C)COc1c(F)cc(O)cc1F ZINC000261493447 385815354 /nfs/dbraw/zinc/81/53/54/385815354.db2.gz BFWFHKFWMFULCF-UHFFFAOYSA-N 0 0 202.200 2.705 50 0 BFAARN CC(C)(C(=O)Nc1ccc(O)cc1)C(F)F ZINC000335689638 385836364 /nfs/dbraw/zinc/83/63/64/385836364.db2.gz KGBVCXKHCQQQHO-UHFFFAOYSA-N 0 0 229.226 2.622 50 0 BFAARN CN1c2ccccc2C(=O)N[C@H]1[C@@H]1CC=CCC1 ZINC000215682234 385849120 /nfs/dbraw/zinc/84/91/20/385849120.db2.gz KYUVQEQHOIPTET-BXUZGUMPSA-N 0 0 242.322 2.549 50 0 BFAARN CCc1cccc(N[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000020315677 385858846 /nfs/dbraw/zinc/85/88/46/385858846.db2.gz PQHYKNMUGIDOOR-NSHDSACASA-N 0 0 248.370 2.964 50 0 BFAARN C/C=C/C(=O)Nc1ccc(Br)cc1 ZINC000002167725 385858992 /nfs/dbraw/zinc/85/89/92/385858992.db2.gz SDSXPVIFRUTSDP-NSCUHMNNSA-N 0 0 240.100 2.964 50 0 BFAARN Cc1ccc(C(=O)Nc2ncccc2Cl)o1 ZINC000000759462 385886274 /nfs/dbraw/zinc/88/62/74/385886274.db2.gz XKKIUQNOESGKQA-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN O=C1CCn2ccc3cc(Cl)cc(c32)N1 ZINC000071774071 385877272 /nfs/dbraw/zinc/87/72/72/385877272.db2.gz BMPRCYYZOGHDGE-UHFFFAOYSA-N 0 0 220.659 2.637 50 0 BFAARN CC(C)c1cc(CNC(=O)C[C@@H]2C=CCC2)on1 ZINC000223328784 386083467 /nfs/dbraw/zinc/08/34/67/386083467.db2.gz WEDPRDKONZWFBK-LLVKDONJSA-N 0 0 248.326 2.771 50 0 BFAARN O=Cc1cc(-c2cccs2)ccc1O ZINC000000349989 386145146 /nfs/dbraw/zinc/14/51/46/386145146.db2.gz JDXKZIUDWWNBDM-UHFFFAOYSA-N 0 0 204.250 2.933 50 0 BFAARN FC(F)C1CCN(c2ccccn2)CC1 ZINC000336083188 386189994 /nfs/dbraw/zinc/18/99/94/386189994.db2.gz ZYDCJWKPBVTKNV-UHFFFAOYSA-N 0 0 212.243 2.563 50 0 BFAARN COC(=O)Cc1cc(F)c(Cl)c(Cl)c1 ZINC000263623588 386156912 /nfs/dbraw/zinc/15/69/12/386156912.db2.gz IUDFFWFQDGWGPW-UHFFFAOYSA-N 0 0 237.057 2.848 50 0 BFAARN Fc1ccc(CSc2ncco2)nc1 ZINC000335274643 386160809 /nfs/dbraw/zinc/16/08/09/386160809.db2.gz DVMFABMEZHLWMQ-UHFFFAOYSA-N 0 0 210.233 2.501 50 0 BFAARN C[C@]1(O)c2ccccc2-c2ccccc2[C@]1(C)O ZINC000000042735 386130994 /nfs/dbraw/zinc/13/09/94/386130994.db2.gz PVSIBGSXKKPZNX-HOTGVXAUSA-N 0 0 240.302 2.782 50 0 BFAARN C[C@@H]1C[C@@H]1c1nc(-c2cnc3ccccn23)no1 ZINC000225553401 386202819 /nfs/dbraw/zinc/20/28/19/386202819.db2.gz LNMPVLLCUBCXLA-BDAKNGLRSA-N 0 0 240.266 2.508 50 0 BFAARN Cn1c(NC(C)(C)C)nnc1-c1ccccc1 ZINC000225686848 386210999 /nfs/dbraw/zinc/21/09/99/386210999.db2.gz AZVHXMQVCZTYPM-UHFFFAOYSA-N 0 0 230.315 2.693 50 0 BFAARN CC(C)CO[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000040521100 386217833 /nfs/dbraw/zinc/21/78/33/386217833.db2.gz HTAKQRWIYDYUKA-OLZOCXBDSA-N 0 0 249.354 2.925 50 0 BFAARN FC(F)(F)c1cnc(-n2ccnc2)c(Cl)c1 ZINC000001401433 386233220 /nfs/dbraw/zinc/23/32/20/386233220.db2.gz HPSWODAGYYMHDK-UHFFFAOYSA-N 0 0 247.607 2.940 50 0 BFAARN CCc1cc(Br)cc(C)c1N ZINC000000570143 386294324 /nfs/dbraw/zinc/29/43/24/386294324.db2.gz RPWYIXIMJZSTQX-UHFFFAOYSA-N 0 0 214.106 2.902 50 0 BFAARN CCCCNC(=O)c1cc(O)ccc1Cl ZINC000226433181 386304353 /nfs/dbraw/zinc/30/43/53/386304353.db2.gz WFPTTWZHLXWYIW-UHFFFAOYSA-N 0 0 227.691 2.576 50 0 BFAARN Nc1nnc(-c2cccc(C(F)(F)F)c2)s1 ZINC000003716761 386450872 /nfs/dbraw/zinc/45/08/72/386450872.db2.gz OWEVQLAGEVSZQL-UHFFFAOYSA-N 0 0 245.229 2.806 50 0 BFAARN Cc1ccc(SCCO)cc1Br ZINC000238472138 386486264 /nfs/dbraw/zinc/48/62/64/386486264.db2.gz XPPLZCUCYVJFHR-UHFFFAOYSA-N 0 0 247.157 2.842 50 0 BFAARN C[C@]12OC(=O)O[C@@]1(C)CCc1ccccc12 ZINC000004127532 386516181 /nfs/dbraw/zinc/51/61/81/386516181.db2.gz RZFWPUPZZRXZLU-QWHCGFSZSA-N 0 0 218.252 2.774 50 0 BFAARN CCCc1nnc(N2C[C@@H]3CCC[C@@H]3C2)s1 ZINC000095418477 386519384 /nfs/dbraw/zinc/51/93/84/386519384.db2.gz IVBVSDGWEYAZEH-AOOOYVTPSA-N 0 0 237.372 2.727 50 0 BFAARN CCCn1cc(N[C@H](C)CC(C)(C)OC)cn1 ZINC000095991554 386525643 /nfs/dbraw/zinc/52/56/43/386525643.db2.gz NFJVURWEJFLRRY-LLVKDONJSA-N 0 0 239.363 2.909 50 0 BFAARN Cc1ccc(/C=C\C(=O)NC2CCCC2)o1 ZINC000006088665 386457596 /nfs/dbraw/zinc/45/75/96/386457596.db2.gz DKJPZLGNNHCCCB-HJWRWDBZSA-N 0 0 219.284 2.660 50 0 BFAARN C=CC(=O)O[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1 ZINC000242687328 386549472 /nfs/dbraw/zinc/54/94/72/386549472.db2.gz UFMAVTXURXGNCN-SSMOUHFUSA-N 0 0 206.285 2.540 50 0 BFAARN C[C@@H]1OCC[C@@H]1SCc1nccs1 ZINC000095974128 386562167 /nfs/dbraw/zinc/56/21/67/386562167.db2.gz XCYHAGCAVUPFRW-YUMQZZPRSA-N 0 0 215.343 2.554 50 0 BFAARN c1ccc2cc(C3N4CCCN34)ccc2c1 ZINC000019168847 386642553 /nfs/dbraw/zinc/64/25/53/386642553.db2.gz OZXRPFRWXFYYMZ-UHFFFAOYSA-N 0 0 210.280 2.775 50 0 BFAARN Cc1c[nH]c([C@@H](C)NC(=O)C2C(C)(C)C2(C)C)n1 ZINC000534586383 386644376 /nfs/dbraw/zinc/64/43/76/386644376.db2.gz CCSYWJBLKPUEST-SECBINFHSA-N 0 0 249.358 2.578 50 0 BFAARN CC[C@]1(C)C[C@@]2(C=C[C@@H](O)CC2)CCO1 ZINC000004026245 386646760 /nfs/dbraw/zinc/64/67/60/386646760.db2.gz MEELPUOSODYWIN-JHJVBQTASA-N 0 0 210.317 2.663 50 0 biogenic BFAARN O=C1Nc2ccc3c4ccccc4oc3c2C1=O ZINC000004027605 386648840 /nfs/dbraw/zinc/64/88/40/386648840.db2.gz CRMKDSNAXDPFNU-UHFFFAOYSA-N 0 0 237.214 2.721 50 0 biogenic BFAARN Cc1ccc(Oc2cccc(N)n2)cc1 ZINC000053278203 386664770 /nfs/dbraw/zinc/66/47/70/386664770.db2.gz HTQAZGMFTXBTEK-UHFFFAOYSA-N 0 0 200.241 2.765 50 0 BFAARN COc1ccc(-c2cnc(C(C)C)n2C)cn1 ZINC000585120311 386669671 /nfs/dbraw/zinc/66/96/71/386669671.db2.gz GRGSZRZWSXFJKE-UHFFFAOYSA-N 0 0 231.299 2.614 50 0 BFAARN CC(C)c1ncc(-c2cc(F)ccc2CO)n1C ZINC000585120214 386670701 /nfs/dbraw/zinc/67/07/01/386670701.db2.gz ABEYHUBWVZOORQ-UHFFFAOYSA-N 0 0 248.301 2.842 50 0 BFAARN C[C@@H]1CC[C@@H](n2cc(-c3ccccn3)nn2)C1 ZINC000585124321 386679676 /nfs/dbraw/zinc/67/96/76/386679676.db2.gz YUGMKHHONNQGRX-GHMZBOCLSA-N 0 0 228.299 2.701 50 0 BFAARN CC(C)(C)Sc1ccc([C@@H]([NH3+])C(=O)[O-])cc1 ZINC000228984144 386658868 /nfs/dbraw/zinc/65/88/68/386658868.db2.gz GMLRFEWSLUWJSU-SNVBAGLBSA-N 0 0 239.340 2.662 50 0 BFAARN CC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000020729336 386724887 /nfs/dbraw/zinc/72/48/87/386724887.db2.gz SHHTZAIHGFNPTK-UHFFFAOYSA-N 0 0 248.713 2.726 50 0 biogenic,in-vitro BFAARN Cc1nc(C(=O)N[C@H](C)c2ccc(F)cc2)co1 ZINC000022538586 386728006 /nfs/dbraw/zinc/72/80/06/386728006.db2.gz PQBKRILOZCOXJY-MRVPVSSYSA-N 0 0 248.257 2.613 50 0 BFAARN Cc1noc([C@H](C)N(C)CCc2ccccc2)n1 ZINC000051999968 386820693 /nfs/dbraw/zinc/82/06/93/386820693.db2.gz ANLYMCYTBJJXNG-NSHDSACASA-N 0 0 245.326 2.614 50 0 BFAARN Cc1noc([C@@H](C)N(C)CCc2ccccc2)n1 ZINC000051999965 386821871 /nfs/dbraw/zinc/82/18/71/386821871.db2.gz ANLYMCYTBJJXNG-LLVKDONJSA-N 0 0 245.326 2.614 50 0 BFAARN O=C1Nc2ccccc2[C@H]2CCCC[C@@H]12 ZINC000001579168 386994371 /nfs/dbraw/zinc/99/43/71/386994371.db2.gz IZYIINICADMQJQ-MWLCHTKSSA-N 0 0 201.269 2.913 50 0 BFAARN O=C1Nc2ccccc2/C1=C/c1ccccc1O ZINC000012719949 387057221 /nfs/dbraw/zinc/05/72/21/387057221.db2.gz QJJAFCLEWYTXRC-XFXZXTDPSA-N 0 0 237.258 2.885 50 0 BFAARN O=C(/C=C/c1ccncc1)Nc1cccc(F)c1 ZINC000029107655 387020660 /nfs/dbraw/zinc/02/06/60/387020660.db2.gz IHTSHSKXHWNHBP-SNAWJCMRSA-N 0 0 242.253 2.873 50 0 BFAARN O=c1c(NC2CC2)csc2ccccc21 ZINC000064555156 387221016 /nfs/dbraw/zinc/22/10/16/387221016.db2.gz MNHDJCWHQIVZNK-UHFFFAOYSA-N 0 0 217.293 2.836 50 0 BFAARN Cc1nnc([C@H](C)Oc2ccccc2)o1 ZINC000064556825 387221091 /nfs/dbraw/zinc/22/10/91/387221091.db2.gz HGXNQFVEWIGLPH-QMMMGPOBSA-N 0 0 204.229 2.518 50 0 BFAARN Cc1cc(CNC(=O)Nc2ccc(C)cc2)on1 ZINC000064555983 387221380 /nfs/dbraw/zinc/22/13/80/387221380.db2.gz BHDJESANRPBJKX-UHFFFAOYSA-N 0 0 245.282 2.613 50 0 BFAARN CCC[C@H](C)CC(C(=O)OCC)C(=O)OCC ZINC000002166644 387240063 /nfs/dbraw/zinc/24/00/63/387240063.db2.gz GSEKUTHOMWBXQU-JTQLQIEISA-N 0 0 244.331 2.555 50 0 BFAARN FC(F)(F)c1nnc2n1CCc1ccccc1-2 ZINC000002172605 387240338 /nfs/dbraw/zinc/24/03/38/387240338.db2.gz CKURCLLORFIUIH-UHFFFAOYSA-N 0 0 239.200 2.520 50 0 BFAARN CNc1nc(C)c(-c2ccccn2)s1 ZINC000006677854 387250302 /nfs/dbraw/zinc/25/03/02/387250302.db2.gz JQESALWIRSTYGK-UHFFFAOYSA-N 0 0 205.286 2.555 50 0 BFAARN C[C@H](NCC(=O)OC(C)(C)C)c1ccccc1 ZINC000037390555 387259205 /nfs/dbraw/zinc/25/92/05/387259205.db2.gz QHTPDEHJFMZAOC-NSHDSACASA-N 0 0 235.327 2.679 50 0 BFAARN COc1ccc(CO[C@H]2OCCC2(C)C)cc1 ZINC000043199274 387273977 /nfs/dbraw/zinc/27/39/77/387273977.db2.gz RCKWNOZQJXPMEG-CYBMUJFWSA-N 0 0 236.311 2.984 50 0 BFAARN C[C@@]1(O)C=C[C@@H](Cc2ccccc2)CC1 ZINC000045071672 387276159 /nfs/dbraw/zinc/27/61/59/387276159.db2.gz OTDQKHHEHQWPIL-ZIAGYGMSSA-N 0 0 202.297 2.946 50 0 BFAARN c1ccc2[nH]c(CSc3ccncn3)nc2c1 ZINC000035655313 387379487 /nfs/dbraw/zinc/37/94/87/387379487.db2.gz ZIAQDAPTMBPBCC-UHFFFAOYSA-N 0 0 242.307 2.645 50 0 BFAARN C[C@@]1(F)CCCN(C(=O)c2cccs2)C1 ZINC000295621502 387328437 /nfs/dbraw/zinc/32/84/37/387328437.db2.gz RFEOJZLGOAGTPU-LLVKDONJSA-N 0 0 227.304 2.712 50 0 BFAARN O[C@@H]1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@H]1[C@@H]23 ZINC000253615863 387344867 /nfs/dbraw/zinc/34/48/67/387344867.db2.gz CFWGFWXYQMMSFE-UDUPFKKZSA-N 0 0 224.303 2.883 50 0 BFAARN CC(C)[C@@H](C(=O)Nc1ccccn1)n1cccc1 ZINC000575444460 387442781 /nfs/dbraw/zinc/44/27/81/387442781.db2.gz CRVPMCSEHPWZSC-ZDUSSCGKSA-N 0 0 243.310 2.719 50 0 BFAARN CCCc1csc(NC2CCOCC2)n1 ZINC000077410534 387450052 /nfs/dbraw/zinc/45/00/52/387450052.db2.gz HOGNSEAFMPMVDR-UHFFFAOYSA-N 0 0 226.345 2.687 50 0 BFAARN Cc1[nH]nc2c1cc(Br)cc2C ZINC000051971892 387451949 /nfs/dbraw/zinc/45/19/49/387451949.db2.gz XQNOSHGIULZYET-UHFFFAOYSA-N 0 0 225.089 2.942 50 0 BFAARN C[C@@H](NC(=O)NCC1CC1)c1ccccc1F ZINC000012985366 387387983 /nfs/dbraw/zinc/38/79/83/387387983.db2.gz DDJWEOWIZMAABG-SECBINFHSA-N 0 0 236.290 2.596 50 0 BFAARN O=C(/C=C\c1ccc(F)cc1)NCc1ccco1 ZINC000006132782 387504591 /nfs/dbraw/zinc/50/45/91/387504591.db2.gz HQJCKEAWNSKHRG-YVMONPNESA-N 0 0 245.253 2.748 50 0 BFAARN Cc1nnc(SCc2cccc(F)c2)n1C ZINC000006699042 387517212 /nfs/dbraw/zinc/51/72/12/387517212.db2.gz BMGOMTZXVGLKNO-UHFFFAOYSA-N 0 0 237.303 2.555 50 0 BFAARN Cc1ccc(C)c(NC(=O)[C@@H](C)n2cccn2)c1 ZINC000024751542 387528474 /nfs/dbraw/zinc/52/84/74/387528474.db2.gz NMRHPFXSQFXZOD-GFCCVEGCSA-N 0 0 243.310 2.700 50 0 BFAARN Cc1cc(C(=O)Nc2cc(C)ccn2)c(C)o1 ZINC000027647926 387532658 /nfs/dbraw/zinc/53/26/58/387532658.db2.gz FHRWUPDGOYKOGT-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN O=C(c1ccsc1)N1Cc2ccccc2C1 ZINC000105979554 387477665 /nfs/dbraw/zinc/47/76/65/387477665.db2.gz KZYFHNDGGCCRDZ-UHFFFAOYSA-N 0 0 229.304 2.904 50 0 BFAARN CONC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000089420512 387487618 /nfs/dbraw/zinc/48/76/18/387487618.db2.gz AIBSUEFOEGYDGK-KGLIPLIRSA-N 0 0 241.290 2.621 50 0 BFAARN CCc1cccc(NC(=O)N2CCO[C@H](C)C2)c1 ZINC000040526329 387580049 /nfs/dbraw/zinc/58/00/49/387580049.db2.gz XIAALZRERZHFEF-LLVKDONJSA-N 0 0 248.326 2.502 50 0 BFAARN CN(C)c1cccc(-c2ccc(O)c(CO)c2)c1 ZINC000426628859 387583212 /nfs/dbraw/zinc/58/32/12/387583212.db2.gz UZUXJJTXZDBVNV-UHFFFAOYSA-N 0 0 243.306 2.618 50 0 BFAARN C[C@@H](O)c1cccc(-c2cccc(N(C)C)c2)n1 ZINC000426701404 387586084 /nfs/dbraw/zinc/58/60/84/387586084.db2.gz KJBLQONGYCMVHM-LLVKDONJSA-N 0 0 242.322 2.868 50 0 BFAARN Cc1ccc(C(=O)N2CCc3ccccc32)cn1 ZINC000013021800 387587329 /nfs/dbraw/zinc/58/73/29/387587329.db2.gz VIKPGOBEDPQEPS-UHFFFAOYSA-N 0 0 238.290 2.593 50 0 BFAARN Clc1cccnc1N1CCCSCC1 ZINC000088701258 387629535 /nfs/dbraw/zinc/62/95/35/387629535.db2.gz IAIBZBHRZDBKTP-UHFFFAOYSA-N 0 0 228.748 2.678 50 0 BFAARN COc1ccc(-c2c(C)n[nH]c2C)cc1C(C)=O ZINC000426395940 387564119 /nfs/dbraw/zinc/56/41/19/387564119.db2.gz KKKKQRWNAMBKOE-UHFFFAOYSA-N 0 0 244.294 2.905 50 0 BFAARN CCc1nc(-c2cc(C)ccc2C)n(C)n1 ZINC000426399468 387564378 /nfs/dbraw/zinc/56/43/78/387564378.db2.gz XOBYABUELRKEJL-UHFFFAOYSA-N 0 0 215.300 2.661 50 0 BFAARN C[C@@H](NC(=O)c1ccccc1F)c1cccnc1 ZINC000037486587 387564445 /nfs/dbraw/zinc/56/44/45/387564445.db2.gz VDJSIXZRIXLYNT-SNVBAGLBSA-N 0 0 244.269 2.712 50 0 BFAARN Nc1ccc(-c2ccc(-c3cc[nH]n3)s2)cn1 ZINC000426498364 387576240 /nfs/dbraw/zinc/57/62/40/387576240.db2.gz CCWBLERNSGMDMF-UHFFFAOYSA-N 0 0 242.307 2.613 50 0 BFAARN CCOc1ccc(-c2cc(CO)ncc2F)cc1 ZINC000426510626 387576722 /nfs/dbraw/zinc/57/67/22/387576722.db2.gz MJQOVIGULVLORQ-UHFFFAOYSA-N 0 0 247.269 2.779 50 0 BFAARN Cc1cc(NC(=O)c2cc(C)ccc2C)n(C)n1 ZINC000040516263 387578153 /nfs/dbraw/zinc/57/81/53/387578153.db2.gz LBLDCYDSWPDGKK-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN C[C@@H]1[C@@H](c2ccccc2)CCN1c1cnccn1 ZINC000267574415 387632637 /nfs/dbraw/zinc/63/26/37/387632637.db2.gz XWKLFHKWBAZNMJ-OCCSQVGLSA-N 0 0 239.322 2.859 50 0 BFAARN COC(C)(C)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000190604100 387795415 /nfs/dbraw/zinc/79/54/15/387795415.db2.gz WPPYCMXAGNHNLN-LLVKDONJSA-N 0 0 235.327 2.631 50 0 BFAARN COC(C)(C)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000190604090 387795468 /nfs/dbraw/zinc/79/54/68/387795468.db2.gz WPPYCMXAGNHNLN-NSHDSACASA-N 0 0 235.327 2.631 50 0 BFAARN Cc1cc(C)c2c(n1)sc1c2nc(C)oc1=O ZINC000000047804 177884530 /nfs/dbraw/zinc/88/45/30/177884530.db2.gz ITXCIMMWLIRURE-UHFFFAOYSA-N 0 0 246.291 2.723 50 0 BFAARN CC(C)Oc1ccc(NC(=O)NC2CC2)cc1 ZINC000036179047 387842962 /nfs/dbraw/zinc/84/29/62/387842962.db2.gz WXMMGRHKVFBQGZ-UHFFFAOYSA-N 0 0 234.299 2.758 50 0 BFAARN C[C@](O)(c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001720248 387848669 /nfs/dbraw/zinc/84/86/69/387848669.db2.gz KVDNJQJZESZZST-GJZGRUSLSA-N 0 0 228.291 2.628 50 0 BFAARN O=Cc1ccc(F)c(Br)c1F ZINC000075914829 387854685 /nfs/dbraw/zinc/85/46/85/387854685.db2.gz KNUJOBHCYUUMBV-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN Cc1cc(C(=O)c2ccccc2)ccc1O ZINC000000084150 177827334 /nfs/dbraw/zinc/82/73/34/177827334.db2.gz UDGHTNPEJPFNIP-UHFFFAOYSA-N 0 0 212.248 2.932 50 0 BFAARN Cc1cc(C(=O)Oc2ccc(Cl)cc2)no1 ZINC000004394517 177825423 /nfs/dbraw/zinc/82/54/23/177825423.db2.gz XIJIKGOEXNPGTQ-UHFFFAOYSA-N 0 0 237.642 2.856 50 0 BFAARN Cc1cc(C(=O)NCc2ccncc2)sc1C ZINC000040457640 177794805 /nfs/dbraw/zinc/79/48/05/177794805.db2.gz KGPMDKHIZJHLFE-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN Cc1cc(C(=O)NCc2ccccc2)c(C)o1 ZINC000005392383 177793657 /nfs/dbraw/zinc/79/36/57/177793657.db2.gz LINNVFYVDMHVSQ-UHFFFAOYSA-N 0 0 229.279 2.826 50 0 BFAARN CCCCN1c2ccccc2NC[C@H](C)C1=O ZINC000082087113 388016153 /nfs/dbraw/zinc/01/61/53/388016153.db2.gz RDWTYRUKLWCMGT-NSHDSACASA-N 0 0 232.327 2.881 50 0 BFAARN Cc1cc(C(=O)NCc2ccccc2)ccc1N ZINC000019268189 177794312 /nfs/dbraw/zinc/79/43/12/177794312.db2.gz BKFMCPYOWNFUER-UHFFFAOYSA-N 0 0 240.306 2.507 50 0 BFAARN COC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000006509241 388040301 /nfs/dbraw/zinc/04/03/01/388040301.db2.gz WTNVEQQSDKXQNM-ZETCQYMHSA-N 0 0 210.298 2.660 50 0 BFAARN Cc1cc(F)cc(NCc2ncccn2)c1 ZINC000085730786 388095607 /nfs/dbraw/zinc/09/56/07/388095607.db2.gz DGLISGVIWYVSMP-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN Cc1cc(C(=O)NC(C)(C)CC(C)(C)C)[nH]n1 ZINC000056442708 177771694 /nfs/dbraw/zinc/77/16/94/177771694.db2.gz GSVIYVXRVRKWHP-UHFFFAOYSA-N 0 0 237.347 2.663 50 0 BFAARN Cc1cc(C(=O)NC(C)C)c2cc(F)ccc2n1 ZINC000008548941 177774035 /nfs/dbraw/zinc/77/40/35/177774035.db2.gz XTLVGPALYLCRFR-UHFFFAOYSA-N 0 0 246.285 2.821 50 0 BFAARN Cc1ccnc(NC(=O)Nc2ccc(O)cc2)c1 ZINC000170087873 388258211 /nfs/dbraw/zinc/25/82/11/388258211.db2.gz AQLSYSZPFFOIKT-UHFFFAOYSA-N 0 0 243.266 2.740 50 0 BFAARN CS[C@H](C)CC(=O)N1CCC2(CCC2)C1 ZINC000170590911 388238280 /nfs/dbraw/zinc/23/82/80/388238280.db2.gz OJFQOVLSKFMKSZ-SNVBAGLBSA-N 0 0 227.373 2.531 50 0 BFAARN Cc1cc(O)ccc1NC(=O)Nc1nccs1 ZINC000170604036 388244513 /nfs/dbraw/zinc/24/45/13/388244513.db2.gz HUSYXCGORJWCPC-UHFFFAOYSA-N 0 0 249.295 2.801 50 0 BFAARN Cn1ccnc1-c1cccc(Cl)c1F ZINC000065405826 388292882 /nfs/dbraw/zinc/29/28/82/388292882.db2.gz DTRULOYUINQJLP-UHFFFAOYSA-N 0 0 210.639 2.880 50 0 BFAARN CCCCNC(=O)[C@@H](C)Sc1ccoc1C ZINC000131417227 388345408 /nfs/dbraw/zinc/34/54/08/388345408.db2.gz NZCVAHHQSWVUMF-SNVBAGLBSA-N 0 0 241.356 2.985 50 0 BFAARN Cc1cc(C(=O)N[C@@H](C)c2ccccn2)c(C)o1 ZINC000028781924 388350611 /nfs/dbraw/zinc/35/06/11/388350611.db2.gz VGHSNHARPQKHOR-JTQLQIEISA-N 0 0 244.294 2.782 50 0 BFAARN Cc1csc(N(C(=O)[C@H]2C[C@@H]2C)C2CC2)n1 ZINC000089705680 388363087 /nfs/dbraw/zinc/36/30/87/388363087.db2.gz PYSKWZIICCLNKU-XVKPBYJWSA-N 0 0 236.340 2.603 50 0 BFAARN Cc1nc(CSc2ccc(C)cc2)no1 ZINC000057685760 388365751 /nfs/dbraw/zinc/36/57/51/388365751.db2.gz JDEUNYXYCXPQLR-UHFFFAOYSA-N 0 0 220.297 2.979 50 0 BFAARN c1nnc(NCc2cc3ccccc3o2)s1 ZINC000095976635 256643580 /nfs/dbraw/zinc/64/35/80/256643580.db2.gz KDDXZQOAALWCNV-UHFFFAOYSA-N 0 0 231.280 2.896 50 0 BFAARN CSCc1ccnc(NCc2cccn2C)c1 ZINC000089756759 388367206 /nfs/dbraw/zinc/36/72/06/388367206.db2.gz AUYKGKWGEIBQQL-UHFFFAOYSA-N 0 0 247.367 2.895 50 0 BFAARN c1nc2n(Cc3ccccc3)c3ccccc3n2n1 ZINC000003213714 388368126 /nfs/dbraw/zinc/36/81/26/388368126.db2.gz LZZLWQJEBOHUTR-UHFFFAOYSA-N 0 0 248.289 2.732 50 0 BFAARN CCSc1nnc(NCC(F)(F)F)s1 ZINC000057813108 388368748 /nfs/dbraw/zinc/36/87/48/388368748.db2.gz SLNZNFDNJAQDOS-UHFFFAOYSA-N 0 0 243.279 2.624 50 0 BFAARN O=C([O-])C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000089830496 388369231 /nfs/dbraw/zinc/36/92/31/388369231.db2.gz PZVMFIJXIYYQAZ-AWEZNQCLSA-N 0 0 247.338 2.558 50 0 BFAARN CNc1nc(C)c(C(=O)Nc2ccccc2)s1 ZINC000003547682 388381959 /nfs/dbraw/zinc/38/19/59/388381959.db2.gz RDPUAFCEFQYDMJ-UHFFFAOYSA-N 0 0 247.323 2.746 50 0 BFAARN Cc1ccc([C@@H](O)c2ccncc2)cc1C ZINC000031773366 388389355 /nfs/dbraw/zinc/38/93/55/388389355.db2.gz AYUKCBQGSQHISM-AWEZNQCLSA-N 0 0 213.280 2.780 50 0 BFAARN COC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000008277483 388403455 /nfs/dbraw/zinc/40/34/55/388403455.db2.gz SXHDUPPHHDRBOX-UHFFFAOYSA-N 0 0 233.267 2.533 50 0 BFAARN Cc1nnc(COc2ccc(F)c(Cl)c2)o1 ZINC000008314472 388403691 /nfs/dbraw/zinc/40/36/91/388403691.db2.gz FDJMRQFRRZOONE-UHFFFAOYSA-N 0 0 242.637 2.750 50 0 BFAARN CCC[C@H](C)C(=O)Nc1cnc2n1CCCC2 ZINC000067774936 388407074 /nfs/dbraw/zinc/40/70/74/388407074.db2.gz SDWGBWCWIPMRIM-JTQLQIEISA-N 0 0 235.331 2.594 50 0 BFAARN O=C(Nc1ncccc1O)c1ccccc1Cl ZINC000009694248 388440365 /nfs/dbraw/zinc/44/03/65/388440365.db2.gz CMUGBBAIPGFDRZ-UHFFFAOYSA-N 0 0 248.669 2.693 50 0 BFAARN CCOc1cnc(Br)c(OCC)c1 ZINC000071404309 388443085 /nfs/dbraw/zinc/44/30/85/388443085.db2.gz JKWPISSEPKRUER-UHFFFAOYSA-N 0 0 246.104 2.642 50 0 BFAARN Cc1ccncc1NC(=O)c1cccs1 ZINC000071847599 388446681 /nfs/dbraw/zinc/44/66/81/388446681.db2.gz BKKHFBCIOCWQAV-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN CC(C)c1nc(CNC(=O)[C@H]2C[C@H]2C)cs1 ZINC000071879564 388447659 /nfs/dbraw/zinc/44/76/59/388447659.db2.gz IOURNVBNHGRUDO-SCZZXKLOSA-N 0 0 238.356 2.539 50 0 BFAARN CC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1C ZINC000032753994 388456435 /nfs/dbraw/zinc/45/64/35/388456435.db2.gz UPANMAZIWNBDKR-UHFFFAOYSA-N 0 0 248.326 2.938 50 0 BFAARN Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2)on1 ZINC000195344853 388467694 /nfs/dbraw/zinc/46/76/94/388467694.db2.gz XZQYOONIFQWNGX-LLVKDONJSA-N 0 0 244.294 2.816 50 0 BFAARN Cc1c(N[C@@H]2CCO[C@H]2C)cnn1C1CCCC1 ZINC000195456714 388471573 /nfs/dbraw/zinc/47/15/73/388471573.db2.gz PPBAZISJLKBGBZ-WCQYABFASA-N 0 0 249.358 2.896 50 0 BFAARN Cc1cc(C(=O)N2CCCC[C@@H]2C)c(C)o1 ZINC000028225664 177752295 /nfs/dbraw/zinc/75/22/95/177752295.db2.gz PCDGUVAFWVFVPI-VIFPVBQESA-N 0 0 221.300 2.911 50 0 BFAARN CCCCNC(=O)N[C@H](C)c1cccc(O)c1 ZINC000068556320 388410601 /nfs/dbraw/zinc/41/06/01/388410601.db2.gz ASIXKLZWLWFCIB-SNVBAGLBSA-N 0 0 236.315 2.553 50 0 BFAARN CCN(CCCNC(=O)C(C)C)c1ccccc1 ZINC000040017227 388412047 /nfs/dbraw/zinc/41/20/47/388412047.db2.gz OBUZOJBBBSRETJ-UHFFFAOYSA-N 0 0 248.370 2.675 50 0 BFAARN CC(C)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000040161765 388412427 /nfs/dbraw/zinc/41/24/27/388412427.db2.gz UCJHZTCAGXVJSQ-UHFFFAOYSA-N 0 0 222.679 2.574 50 0 BFAARN Cc1ccc(C)c(NC(=O)c2cccn2C)c1 ZINC000069126833 388412902 /nfs/dbraw/zinc/41/29/02/388412902.db2.gz IOMQDPRWVFLVJK-UHFFFAOYSA-N 0 0 228.295 2.894 50 0 BFAARN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCCCC1 ZINC000245484329 388420924 /nfs/dbraw/zinc/42/09/24/388420924.db2.gz HFMQZPHALJTOHC-ITGUQSILSA-N 0 0 221.344 2.825 50 0 BFAARN Cc1ccc(Cl)cc1NCC(=O)NC(C)C ZINC000009155220 388421631 /nfs/dbraw/zinc/42/16/31/388421631.db2.gz GOJSRWCAJCYERW-UHFFFAOYSA-N 0 0 240.734 2.585 50 0 BFAARN Cc1noc([C@H](C)Oc2cccc(F)c2)n1 ZINC000069658915 388422649 /nfs/dbraw/zinc/42/26/49/388422649.db2.gz OEMDODYJULRGLI-ZETCQYMHSA-N 0 0 222.219 2.657 50 0 BFAARN Cc1ccn(Cc2ccc(Cl)s2)c(=O)c1 ZINC000069629601 388422755 /nfs/dbraw/zinc/42/27/55/388422755.db2.gz OAWDUHFEDWUMPE-UHFFFAOYSA-N 0 0 239.727 2.920 50 0 BFAARN Cc1cnccc1NC(=O)C1CCCCC1 ZINC000069948013 388430479 /nfs/dbraw/zinc/43/04/79/388430479.db2.gz LBYAOIUOCFUZME-UHFFFAOYSA-N 0 0 218.300 2.909 50 0 BFAARN Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)no1 ZINC000041780968 388439596 /nfs/dbraw/zinc/43/95/96/388439596.db2.gz GCJYBHPTKXASRM-DVVUODLYSA-N 0 0 236.315 2.538 50 0 BFAARN CCCCNC(=O)Nc1ccccc1F ZINC000003086067 388592108 /nfs/dbraw/zinc/59/21/08/388592108.db2.gz FAQNGXMRIBGNRC-UHFFFAOYSA-N 0 0 210.252 2.747 50 0 BFAARN Cc1ccc(C)c(NC(=O)NC(C)C)c1 ZINC000000396522 388592172 /nfs/dbraw/zinc/59/21/72/388592172.db2.gz CDBPADOCXBEVGD-UHFFFAOYSA-N 0 0 206.289 2.833 50 0 BFAARN CCCOC(=O)Cc1ccc(Cl)nc1C ZINC000253417001 388592493 /nfs/dbraw/zinc/59/24/93/388592493.db2.gz UPAOTUXLUQUOSB-UHFFFAOYSA-N 0 0 227.691 2.539 50 0 BFAARN CC(C)(C)OC(=O)N[C@H]1CC(=O)CC(C)(C)C1 ZINC000521398343 256862635 /nfs/dbraw/zinc/86/26/35/256862635.db2.gz UNBAMXRPPJFULU-VIFPVBQESA-N 0 0 241.331 2.659 50 0 BFAARN Cc1ccc(NC(=O)C(C)(C)C)cc1O ZINC000068732615 388614525 /nfs/dbraw/zinc/61/45/25/388614525.db2.gz ABOSOXSRKQXGLC-UHFFFAOYSA-N 0 0 207.273 2.685 50 0 BFAARN O=C(NC1CC1)c1ccc(-c2ccc(F)cc2)o1 ZINC000007952873 388556403 /nfs/dbraw/zinc/55/64/03/388556403.db2.gz HZHMBIOXKPCMPN-UHFFFAOYSA-N 0 0 245.253 2.978 50 0 BFAARN Cc1nnc(CN2CCC[C@H]2c2ccccc2)o1 ZINC000054886575 388579600 /nfs/dbraw/zinc/57/96/00/388579600.db2.gz RNWSEIWBUSQSKL-ZDUSSCGKSA-N 0 0 243.310 2.715 50 0 BFAARN CSCC(=O)Nc1cc(Cl)ccc1C ZINC000009500040 388678126 /nfs/dbraw/zinc/67/81/26/388678126.db2.gz RSNQMNMIYOBBCL-UHFFFAOYSA-N 0 0 229.732 2.950 50 0 BFAARN Cc1ncc(-c2cnc(C3CC3)o2)cc1N ZINC000530251554 388640288 /nfs/dbraw/zinc/64/02/88/388640288.db2.gz SRKZUMNDUMTOBM-UHFFFAOYSA-N 0 0 215.256 2.505 50 0 BFAARN C[C@@H]1C[C@H](O)[C@@H]2C=C(Cl)C=C[C@H]2S1 ZINC000252427698 388651923 /nfs/dbraw/zinc/65/19/23/388651923.db2.gz CDLMBTLYJNUUMV-DOWZNPNQSA-N 0 0 216.733 2.550 50 0 BFAARN Cc1occc1C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000089540594 388737571 /nfs/dbraw/zinc/73/75/71/388737571.db2.gz IHDIPNADDDHPJB-AAEUAGOBSA-N 0 0 233.311 2.993 50 0 BFAARN CCOc1ccc(CNc2cc(C)nn2C)cc1 ZINC000078737275 388739453 /nfs/dbraw/zinc/73/94/53/388739453.db2.gz FMHNXQUAXQQNCG-UHFFFAOYSA-N 0 0 245.326 2.739 50 0 BFAARN CCCCC(=O)N[C@@H]1CCC[C@@H]1SCC ZINC000079000978 388742788 /nfs/dbraw/zinc/74/27/88/388742788.db2.gz HZLDLDHVDWJODZ-MNOVXSKESA-N 0 0 229.389 2.967 50 0 BFAARN CC(N=Nc1ccccn1)c1ccc(C#N)cc1 ZINC000254404332 388742796 /nfs/dbraw/zinc/74/27/96/388742796.db2.gz LOODFXXGLJVXQT-UHFFFAOYSA-N 0 0 236.278 2.789 50 0 BFAARN FC(F)(F)c1ccc(CN2CCOCC2)cc1 ZINC000019634723 388743929 /nfs/dbraw/zinc/74/39/29/388743929.db2.gz LOYDLLLZTLGYCE-UHFFFAOYSA-N 0 0 245.244 2.538 50 0 BFAARN Cc1nc(Cl)cc(NC2CC=CC2)n1 ZINC000079106735 388745080 /nfs/dbraw/zinc/74/50/80/388745080.db2.gz JXHJUIYOXIJMPC-UHFFFAOYSA-N 0 0 209.680 2.569 50 0 BFAARN O=C(NCCCc1cccs1)c1ccccn1 ZINC000538801391 388726769 /nfs/dbraw/zinc/72/67/69/388726769.db2.gz LTWYFNZQYMWMSN-UHFFFAOYSA-N 0 0 246.335 2.506 50 0 BFAARN CCCCNc1ccc(F)c(C(=O)N(C)C)c1 ZINC000095964630 388794185 /nfs/dbraw/zinc/79/41/85/388794185.db2.gz TUFDIRGJEGYPOG-UHFFFAOYSA-N 0 0 238.306 2.740 50 0 BFAARN CSCC[C@@H](C)N(C)c1nc(C)cc(C)n1 ZINC000095972058 388796994 /nfs/dbraw/zinc/79/69/94/388796994.db2.gz UIROGISJRVHYCM-LLVKDONJSA-N 0 0 239.388 2.671 50 0 BFAARN CCN(CC(F)(F)F)C(=O)C(C1CC1)C1CC1 ZINC000095978633 388797081 /nfs/dbraw/zinc/79/70/81/388797081.db2.gz RFAXMVPZKGVHHT-UHFFFAOYSA-N 0 0 249.276 2.833 50 0 BFAARN CSCC[C@@H](C)N(C)c1cc(C)nc(C)n1 ZINC000095972060 388797517 /nfs/dbraw/zinc/79/75/17/388797517.db2.gz WGHZQPLHPXWLSX-SNVBAGLBSA-N 0 0 239.388 2.671 50 0 BFAARN Cc1occc1SCC(=O)NC1CCCC1 ZINC000096003396 388801297 /nfs/dbraw/zinc/80/12/97/388801297.db2.gz GYLWZABCCQPKAC-UHFFFAOYSA-N 0 0 239.340 2.739 50 0 BFAARN C[C@@H](Nc1cnn(CC(F)F)c1)C(C)(C)C ZINC000095991586 388802244 /nfs/dbraw/zinc/80/22/44/388802244.db2.gz LPWHHSPGBQJKKP-MRVPVSSYSA-N 0 0 231.290 2.995 50 0 BFAARN CC(=O)N[C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000096118350 388808424 /nfs/dbraw/zinc/80/84/24/388808424.db2.gz OEYSGCPCPXAZDN-CYBMUJFWSA-N 0 0 246.285 2.821 50 0 BFAARN CC/C=C(\C)C(=O)NCc1ccccc1COC ZINC000096166199 388809958 /nfs/dbraw/zinc/80/99/58/388809958.db2.gz JFCQCCNQTHFYEK-KPKJPENVSA-N 0 0 247.338 2.806 50 0 BFAARN Cc1n[nH]cc1Nc1ncnc2c(C)cccc12 ZINC000095418989 388767964 /nfs/dbraw/zinc/76/79/64/388767964.db2.gz HOSANTMJWBPCOE-UHFFFAOYSA-N 0 0 239.282 2.713 50 0 BFAARN C[C@@H](Cc1cccnc1)OC(=O)c1ccsc1 ZINC000095463460 388774392 /nfs/dbraw/zinc/77/43/92/388774392.db2.gz UBYKTTHGSHFBDI-JTQLQIEISA-N 0 0 247.319 2.931 50 0 BFAARN C/C=C/C=C\C(=O)N[C@@H](C)CCc1ccco1 ZINC000096305155 388814566 /nfs/dbraw/zinc/81/45/66/388814566.db2.gz HFTDWUGTWBUTMO-ZWBHRPSJSA-N 0 0 233.311 2.849 50 0 BFAARN CCN(CC)c1nc(-c2ccccc2)no1 ZINC000021629715 388816045 /nfs/dbraw/zinc/81/60/45/388816045.db2.gz LZHPRUHZLNDTMW-UHFFFAOYSA-N 0 0 217.272 2.583 50 0 BFAARN CCc1cc(Br)ccc1OC(C)=O ZINC000096345752 388816117 /nfs/dbraw/zinc/81/61/17/388816117.db2.gz CVYGJOWQSXNUFW-UHFFFAOYSA-N 0 0 243.100 2.937 50 0 BFAARN c1cnc(N2CCC3(CCCC3)CC2)cn1 ZINC000096413764 388818265 /nfs/dbraw/zinc/81/82/65/388818265.db2.gz PWOFNIDZMFAQAP-UHFFFAOYSA-N 0 0 217.316 2.637 50 0 BFAARN CC[C@@H](C)Sc1ccc(S(C)(=O)=O)cc1 ZINC000096413683 388818523 /nfs/dbraw/zinc/81/85/23/388818523.db2.gz SZVPKKRWPKNQHQ-SECBINFHSA-N 0 0 244.381 2.981 50 0 BFAARN O=C(/C=C\Sc1ccccc1)NC1CC1 ZINC000096911713 388827505 /nfs/dbraw/zinc/82/75/05/388827505.db2.gz QPMVLVVINHJDKU-HJWRWDBZSA-N 0 0 219.309 2.571 50 0 BFAARN c1coc(CN=Nc2nncc3ccccc32)c1 ZINC000254568476 388830341 /nfs/dbraw/zinc/83/03/41/388830341.db2.gz GQXCZXMQCNFGSF-UHFFFAOYSA-N 0 0 238.250 2.669 50 0 BFAARN Cc1nnc([C@@H](C)Oc2cccc(C)c2F)o1 ZINC000097054534 388831573 /nfs/dbraw/zinc/83/15/73/388831573.db2.gz LAQDIIVDUHJWOV-MRVPVSSYSA-N 0 0 236.246 2.966 50 0 BFAARN CSCc1cccc(CNc2ncccn2)c1 ZINC000302463437 388844773 /nfs/dbraw/zinc/84/47/73/388844773.db2.gz AUUVIWRIJNZVBO-UHFFFAOYSA-N 0 0 245.351 2.952 50 0 BFAARN CC[C@@H](C)NC(=O)CSCC(C)(C)C ZINC000225640645 388838710 /nfs/dbraw/zinc/83/87/10/388838710.db2.gz RBCOTXLQAMXQIT-SECBINFHSA-N 0 0 217.378 2.680 50 0 BFAARN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000225809614 388846336 /nfs/dbraw/zinc/84/63/36/388846336.db2.gz MZQWVAAARQHIFQ-SECBINFHSA-N 0 0 245.244 2.759 50 0 BFAARN Cc1occc1S[C@@H](C)C(=O)N(C)C(C)C ZINC000131305452 388847583 /nfs/dbraw/zinc/84/75/83/388847583.db2.gz NUEYXPQAEGSWHU-JTQLQIEISA-N 0 0 241.356 2.935 50 0 BFAARN CC(C)=CC(=O)N(Cc1ccccn1)C(C)C ZINC000055738753 388847848 /nfs/dbraw/zinc/84/78/48/388847848.db2.gz BLGZRUAAFYWITI-UHFFFAOYSA-N 0 0 232.327 2.785 50 0 BFAARN c1csc([C@H]2CN3C=CSC3=N2)c1 ZINC000004211973 388849721 /nfs/dbraw/zinc/84/97/21/388849721.db2.gz RFOLEEQBNNSICL-SSDOTTSWSA-N 0 0 208.311 2.679 50 0 in-man BFAARN COc1c(C)cc(Br)nc1Cl ZINC000238356565 322818737 /nfs/dbraw/zinc/81/87/37/322818737.db2.gz WUOCYPJPONQBDU-UHFFFAOYSA-N 0 0 236.496 2.815 50 0 BFAARN CC(C)CCC[S@](=O)Cc1ccccn1 ZINC000191200186 166830692 /nfs/dbraw/zinc/83/06/92/166830692.db2.gz IYVJFUYAMICTPU-HNNXBMFYSA-N 0 0 225.357 2.767 50 0 BFAARN O=c1c2ccccc2occ1N1CCCCC1 ZINC000000198822 132313055 /nfs/dbraw/zinc/31/30/55/132313055.db2.gz JKPBBAWTUKRUGO-UHFFFAOYSA-N 0 0 229.279 2.783 50 0 BFAARN O=C1CC2(CCCC2)CC(=O)N1c1ccccc1 ZINC000001739762 132314408 /nfs/dbraw/zinc/31/44/08/132314408.db2.gz BKZIVDQSPFACDP-UHFFFAOYSA-N 0 0 243.306 2.900 50 0 BFAARN O=C1CCN(c2cccc(Cl)c2)CC1 ZINC000002559721 132315054 /nfs/dbraw/zinc/31/50/54/132315054.db2.gz JJYTZAMHBNGTOX-UHFFFAOYSA-N 0 0 209.676 2.509 50 0 BFAARN Cc1cc(C)c(N2C(=O)CCCC2=O)c(C)c1 ZINC000003086193 132315505 /nfs/dbraw/zinc/31/55/05/132315505.db2.gz BSKUWEHXSCRUND-UHFFFAOYSA-N 0 0 231.295 2.655 50 0 BFAARN O=C(c1ccco1)N1CC(=O)Nc2ccccc21 ZINC000003958692 132316177 /nfs/dbraw/zinc/31/61/77/132316177.db2.gz MHLBWXVMZIFVDJ-UHFFFAOYSA-N 0 0 242.234 2.528 50 0 BFAARN O=Cc1ccc(N2CCCCC2)cc1F ZINC000004245515 132316378 /nfs/dbraw/zinc/31/63/78/132316378.db2.gz FWOVDUNJKQSSNE-UHFFFAOYSA-N 0 0 207.248 2.629 50 0 BFAARN CCCc1nc(C)cc(N2CCC[C@H](C)C2)n1 ZINC000006767913 132318416 /nfs/dbraw/zinc/31/84/16/132318416.db2.gz PZUAASZVEFRTDO-NSHDSACASA-N 0 0 233.359 2.974 50 0 BFAARN CC(=O)c1cc(N2CCC[C@H](C)C2)ccc1N ZINC000008730162 132319163 /nfs/dbraw/zinc/31/91/63/132319163.db2.gz BWFZBTKGMUYYLX-JTQLQIEISA-N 0 0 232.327 2.708 50 0 BFAARN CC(=O)c1cc(N2CCC(C)CC2)ccc1N ZINC000008730164 132319196 /nfs/dbraw/zinc/31/91/96/132319196.db2.gz LOBDGMABMHFSQN-UHFFFAOYSA-N 0 0 232.327 2.708 50 0 BFAARN Cc1ccc(N2CCC(=O)CC2)cc1Cl ZINC000019090656 132323886 /nfs/dbraw/zinc/32/38/86/132323886.db2.gz AQYBAIHPUWXOAS-UHFFFAOYSA-N 0 0 223.703 2.818 50 0 BFAARN CC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000019870990 132328227 /nfs/dbraw/zinc/32/82/27/132328227.db2.gz BHKSEAKLXNVZNY-QWRGUYRKSA-N 0 0 233.311 2.503 50 0 BFAARN Cc1cc(Cl)nc(N2CCC(C)CC2)n1 ZINC000022073606 132332446 /nfs/dbraw/zinc/33/24/46/132332446.db2.gz USAUFEQJVCOODJ-UHFFFAOYSA-N 0 0 225.723 2.675 50 0 BFAARN C[C@H]1CCCCN1c1cc(Cl)ncn1 ZINC000040422435 132347321 /nfs/dbraw/zinc/34/73/21/132347321.db2.gz OUMAMNHWQNPJHE-QMMMGPOBSA-N 0 0 211.696 2.509 50 0 BFAARN CC=CC=CC(=O)OCC(=O)c1ccc(C)cc1 ZINC000013856527 133450924 /nfs/dbraw/zinc/45/09/24/133450924.db2.gz RGOCKCMRUKTMBN-VNKDHWASSA-N 0 0 244.290 2.853 50 0 BFAARN Cc1ccc(CNc2ccc(F)cn2)nc1 ZINC000134437225 134709274 /nfs/dbraw/zinc/70/92/74/134709274.db2.gz FMCWSLJZAOSSMO-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN CCCCOc1ccc(N2CCCC2=O)cc1 ZINC000078382681 135119233 /nfs/dbraw/zinc/11/92/33/135119233.db2.gz VLCXMDKQYFJWRU-UHFFFAOYSA-N 0 0 233.311 2.992 50 0 BFAARN O=C(NC1(c2ccccc2)CC1)c1cscn1 ZINC000078483322 135125923 /nfs/dbraw/zinc/12/59/23/135125923.db2.gz BGNWUHBJOQUQDA-UHFFFAOYSA-N 0 0 244.319 2.562 50 0 BFAARN COCc1noc(C2CCCCCC2)n1 ZINC000089420416 135535528 /nfs/dbraw/zinc/53/55/28/135535528.db2.gz IBNJUYSADOCOQB-UHFFFAOYSA-N 0 0 210.277 2.654 50 0 BFAARN Cc1cccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)n1 ZINC000089688906 135539150 /nfs/dbraw/zinc/53/91/50/135539150.db2.gz BSURRNXSKZQMQS-STQMWFEESA-N 0 0 244.338 2.652 50 0 BFAARN CC[C@H]1CCCN(C(=O)C2CC=CC2)CC1 ZINC000095400126 135625955 /nfs/dbraw/zinc/62/59/55/135625955.db2.gz RFGJWBADZZMGKK-LBPRGKRZSA-N 0 0 221.344 2.991 50 0 BFAARN C[C@@H](N(C)C(=O)c1cccnc1)C(C)(C)C ZINC000032788121 135808086 /nfs/dbraw/zinc/80/80/86/135808086.db2.gz AVEZMDSNLIBECJ-SNVBAGLBSA-N 0 0 220.316 2.588 50 0 BFAARN CCCc1csc(N2CCSCC2)n1 ZINC000098012657 397804467 /nfs/dbraw/zinc/80/44/67/397804467.db2.gz DFGIHSRXDFYAAA-UHFFFAOYSA-N 0 0 228.386 2.649 50 0 BFAARN C[C@]1(C(F)(F)F)NCCc2ccccc21 ZINC000170091555 397821915 /nfs/dbraw/zinc/82/19/15/397821915.db2.gz HZKBHOOJCXSPRR-JTQLQIEISA-N 0 0 215.218 2.610 50 0 BFAARN COC(=O)/C=C/c1cc(Br)cs1 ZINC000034750871 398015472 /nfs/dbraw/zinc/01/54/72/398015472.db2.gz OPKVLLQCBXEGTN-NSCUHMNNSA-N 0 0 247.113 2.697 50 0 BFAARN COCCNc1ccc(Cl)cc1F ZINC000042237763 398031350 /nfs/dbraw/zinc/03/13/50/398031350.db2.gz IXIIAGCKMUFVHQ-UHFFFAOYSA-N 0 0 203.644 2.537 50 0 BFAARN CSc1ccc(CNc2nncs2)cc1 ZINC000083365159 398067380 /nfs/dbraw/zinc/06/73/80/398067380.db2.gz IZYQNXFPYPNMKY-UHFFFAOYSA-N 0 0 237.353 2.872 50 0 BFAARN C/C=C/C=C/C(=O)NCc1ccc(C)cc1 ZINC000058177384 398070612 /nfs/dbraw/zinc/07/06/12/398070612.db2.gz LSVGHGRLIMUQKT-VNKDHWASSA-N 0 0 215.296 2.744 50 0 BFAARN COc1cc(-c2ccc3[nH]ccc3c2)ncn1 ZINC000067872446 398095149 /nfs/dbraw/zinc/09/51/49/398095149.db2.gz HOHLRCNCGLKWLL-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN Cc1c[nH]c(CN(C)Cc2cccc(F)c2C)n1 ZINC000215132521 398087373 /nfs/dbraw/zinc/08/73/73/398087373.db2.gz ADWDRWIHJFBDTR-UHFFFAOYSA-N 0 0 247.317 2.798 50 0 BFAARN COC(=O)c1cc2[nH]ccc2cc1Cl ZINC000049582201 398051775 /nfs/dbraw/zinc/05/17/75/398051775.db2.gz OXHPSEFJDMSMRV-UHFFFAOYSA-N 0 0 209.632 2.608 50 0 BFAARN Cc1ccc2nc(-c3ccccc3)c(=O)[nH]c2c1 ZINC000069375093 398103948 /nfs/dbraw/zinc/10/39/48/398103948.db2.gz OHSYXHGYKMFQEK-UHFFFAOYSA-N 0 0 236.274 2.899 50 0 BFAARN COC(=O)[C@H](NCC=C(C)C)c1ccsc1 ZINC000192007644 398131662 /nfs/dbraw/zinc/13/16/62/398131662.db2.gz FFBPIPCQOGJRMN-LLVKDONJSA-N 0 0 239.340 2.518 50 0 BFAARN COC(CSC1=Nc2ccccc2C1)OC ZINC000194538434 398127823 /nfs/dbraw/zinc/12/78/23/398127823.db2.gz FDDAVTWGNTVJMB-UHFFFAOYSA-N 0 0 237.324 2.625 50 0 BFAARN CC(C)N1c2ccc(C=O)cc2C[C@H]1C ZINC000004998656 167035806 /nfs/dbraw/zinc/03/58/06/167035806.db2.gz NCDYVZCIBMESRD-SNVBAGLBSA-N 0 0 203.285 2.659 50 0 BFAARN COCCCSCc1ncc(C)s1 ZINC000195571495 174259066 /nfs/dbraw/zinc/25/90/66/174259066.db2.gz WCUKICRTTYDYOP-UHFFFAOYSA-N 0 0 217.359 2.721 50 0 BFAARN CC(C)Oc1c(Cl)cccc1NCCCO ZINC000095965294 167284782 /nfs/dbraw/zinc/28/47/82/167284782.db2.gz OPKZSVLQVBOKRV-UHFFFAOYSA-N 0 0 243.734 2.922 50 0 BFAARN Cc1ccoc1C(=O)N1CCc2sccc2C1 ZINC000048279894 409754027 /nfs/dbraw/zinc/75/40/27/409754027.db2.gz VCVOXKVGFQYFKA-UHFFFAOYSA-N 0 0 247.319 2.848 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000048810725 409916970 /nfs/dbraw/zinc/91/69/70/409916970.db2.gz HYABZOLPQNOSFW-SECBINFHSA-N 0 0 245.278 2.778 50 0 BFAARN Brc1ccc(-c2cn[nH]c2)cc1 ZINC000001529094 166097222 /nfs/dbraw/zinc/09/72/22/166097222.db2.gz GCAZXAMCMBEXCC-UHFFFAOYSA-N 0 0 223.073 2.839 50 0 BFAARN Brc1ccc(NC2CCC2)nc1 ZINC000052211596 166098387 /nfs/dbraw/zinc/09/83/87/166098387.db2.gz PFUXJJCGKFSSCU-UHFFFAOYSA-N 0 0 227.105 2.809 50 0 BFAARN Brc1ccc2c(c1)CCOC2 ZINC000034452358 166100178 /nfs/dbraw/zinc/10/01/78/166100178.db2.gz LHXQWWFCWFMCHO-UHFFFAOYSA-N 0 0 213.074 2.522 50 0 BFAARN Brc1cccc2c1OCCCN2 ZINC000062529599 166100813 /nfs/dbraw/zinc/10/08/13/166100813.db2.gz SJLNUGPHNXHFER-UHFFFAOYSA-N 0 0 228.089 2.644 50 0 BFAARN Brc1cccc(-c2ccncn2)c1 ZINC000000407457 166100828 /nfs/dbraw/zinc/10/08/28/166100828.db2.gz ZCYZHYXWAFEARM-UHFFFAOYSA-N 0 0 235.084 2.906 50 0 BFAARN Brc1ccccc1-c1cc[nH]n1 ZINC000004293886 166101018 /nfs/dbraw/zinc/10/10/18/166101018.db2.gz VDHTYVJAQNZWTD-UHFFFAOYSA-N 0 0 223.073 2.839 50 0 BFAARN Brc1cccnc1Br ZINC000000330773 166103345 /nfs/dbraw/zinc/10/33/45/166103345.db2.gz SLMHHOVQRSSRCV-UHFFFAOYSA-N 0 0 236.894 2.607 50 0 BFAARN Brc1cnc2n[nH]c(C3CC3)c2c1 ZINC000098181743 166104644 /nfs/dbraw/zinc/10/46/44/166104644.db2.gz WWTYPLGVUWUJSU-UHFFFAOYSA-N 0 0 238.088 2.598 50 0 BFAARN Brc1scnc1C1CC1 ZINC000072192141 166108506 /nfs/dbraw/zinc/10/85/06/166108506.db2.gz YILAOMWQUUZUKC-UHFFFAOYSA-N 0 0 204.092 2.783 50 0 BFAARN Brc1coc(Br)c1 ZINC000039248713 166106555 /nfs/dbraw/zinc/10/65/55/166106555.db2.gz ZBZNCJRCPCNHQL-UHFFFAOYSA-N 0 0 225.867 2.805 50 0 BFAARN Cc1oc(-c2cccs2)nc1C(=O)NC1CC1 ZINC000046571652 410294982 /nfs/dbraw/zinc/29/49/82/410294982.db2.gz LOYPWSDZEHFTGD-UHFFFAOYSA-N 0 0 248.307 2.604 50 0 BFAARN C(=C/c1c[nH]c2ccccc12)\CN1CCOCC1 ZINC000022508438 166226893 /nfs/dbraw/zinc/22/68/93/166226893.db2.gz BLQYVVRJGWUERJ-ONEGZZNKSA-N 0 0 242.322 2.513 50 0 BFAARN C(=C\c1ccccc1)\CSc1nc[nH]n1 ZINC000033583453 166228731 /nfs/dbraw/zinc/22/87/31/166228731.db2.gz LTULOTXFKDUUOC-DAXSKMNVSA-N 0 0 217.297 2.610 50 0 BFAARN C/C(=C/C(=O)N[C@@H](C)c1ccccn1)C1CC1 ZINC000054981679 166232046 /nfs/dbraw/zinc/23/20/46/166232046.db2.gz CFGXIDYFKGTKHP-JUDLJHIGSA-N 0 0 230.311 2.615 50 0 BFAARN CCN(CC)C(=O)c1ccc(C(F)(F)F)nc1 ZINC000040489142 169760173 /nfs/dbraw/zinc/76/01/73/169760173.db2.gz MFUCTBBKOZLDMQ-UHFFFAOYSA-N 0 0 246.232 2.582 50 0 BFAARN CC1(C)COCCN1C(=O)C1CCCCCC1 ZINC000095350476 322927190 /nfs/dbraw/zinc/92/71/90/322927190.db2.gz BFZKEGRBPNWCPV-UHFFFAOYSA-N 0 0 239.359 2.594 50 0 BFAARN CCN(CC)C(=O)[C@H]1CCCc2ccccc21 ZINC000032755291 169758641 /nfs/dbraw/zinc/75/86/41/169758641.db2.gz OUGXDIWHVPMEKI-AWEZNQCLSA-N 0 0 231.339 2.975 50 0 BFAARN CCN(CC)C(=O)[C@H]1Cc2ccccc2S1 ZINC000032876672 169759330 /nfs/dbraw/zinc/75/93/30/169759330.db2.gz CWZMRCWDTQDJCD-GFCCVEGCSA-N 0 0 235.352 2.572 50 0 BFAARN CC(=O)c1ccc(OCC(=O)C(C)(C)C)cc1 ZINC000048102044 166467780 /nfs/dbraw/zinc/46/77/80/166467780.db2.gz VGTDBECKNGNHQQ-UHFFFAOYSA-N 0 0 234.295 2.883 50 0 BFAARN CC(=O)n1c2ccccc2c2[nH]c(=S)[nH]c21 ZINC000001512234 166494442 /nfs/dbraw/zinc/49/44/42/166494442.db2.gz RBFXSCBDKXKXJF-UHFFFAOYSA-N 0 0 231.280 2.840 50 0 BFAARN CC(C)(C)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000020495795 166534334 /nfs/dbraw/zinc/53/43/34/166534334.db2.gz RUEJEXLBLIYXOT-UHFFFAOYSA-N 0 0 217.272 2.548 50 0 BFAARN CC(C)(C)OC(=O)NCc1cnc2[nH]ccc2c1 ZINC000008700516 166663884 /nfs/dbraw/zinc/66/38/84/166663884.db2.gz XIDJEMPYAHCGHE-UHFFFAOYSA-N 0 0 247.298 2.588 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc(C=O)cc1F ZINC000002512967 166668259 /nfs/dbraw/zinc/66/82/59/166668259.db2.gz QQWNYOVSVMTGAY-UHFFFAOYSA-N 0 0 239.246 2.985 50 0 BFAARN CC(C)(C)OC(=O)c1cnc(Cl)s1 ZINC000012370911 166675207 /nfs/dbraw/zinc/67/52/07/166675207.db2.gz SQZXVWDARSIXTM-UHFFFAOYSA-N 0 0 219.693 2.752 50 0 BFAARN CC(C)C(=O)NCc1ccccc1C(F)(F)F ZINC000005497342 166724098 /nfs/dbraw/zinc/72/40/98/166724098.db2.gz VVESXGMCQFFMFU-UHFFFAOYSA-N 0 0 245.244 2.978 50 0 BFAARN CC(C)C(=O)Nc1ccccc1OC(F)F ZINC000002618774 166731253 /nfs/dbraw/zinc/73/12/53/166731253.db2.gz XPSGSOOHEUSZTC-UHFFFAOYSA-N 0 0 229.226 2.883 50 0 BFAARN CC(C)C(=O)Nc1cccc2ncccc21 ZINC000006159526 166731372 /nfs/dbraw/zinc/73/13/72/166731372.db2.gz WYHPMRHGYPRQCO-UHFFFAOYSA-N 0 0 214.268 2.829 50 0 BFAARN CC(C)CC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000336428530 166769867 /nfs/dbraw/zinc/76/98/67/166769867.db2.gz KIOJUWQKWCHNSD-VIFPVBQESA-N 0 0 219.275 2.727 50 0 BFAARN CC(C)CCC(=O)N[C@@H](C)Cc1ccco1 ZINC000040510239 166794333 /nfs/dbraw/zinc/79/43/33/166794333.db2.gz ZYNZQCPQCAYDDR-NSHDSACASA-N 0 0 223.316 2.763 50 0 BFAARN CC(C)CNc1ccc(Br)cn1 ZINC000021815562 167016225 /nfs/dbraw/zinc/01/62/25/167016225.db2.gz NQBZRNWPFRFKMT-UHFFFAOYSA-N 0 0 229.121 2.912 50 0 BFAARN CC(C)NC(=O)COc1ccc2ccccc2c1 ZINC000000564233 167063740 /nfs/dbraw/zinc/06/37/40/167063740.db2.gz RJYSURPHUSSZAI-UHFFFAOYSA-N 0 0 243.306 2.743 50 0 BFAARN CC(C)NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000025992465 167075689 /nfs/dbraw/zinc/07/56/89/167075689.db2.gz FXAITDVVPMVGFH-QMMMGPOBSA-N 0 0 242.269 2.733 50 0 BFAARN CC(C)NC(=O)NCc1nc2ccccc2s1 ZINC000012972540 167076403 /nfs/dbraw/zinc/07/64/03/167076403.db2.gz CYZBDAPAHPFEEQ-UHFFFAOYSA-N 0 0 249.339 2.504 50 0 BFAARN CC(C)NC(=O)c1cccc(C(F)(F)F)c1 ZINC000001405224 167087529 /nfs/dbraw/zinc/08/75/29/167087529.db2.gz SBYDPANTRXQTOZ-UHFFFAOYSA-N 0 0 231.217 2.844 50 0 BFAARN CC(C)NC(=O)c1cccc(-n2cccc2)c1 ZINC000017300961 167088453 /nfs/dbraw/zinc/08/84/53/167088453.db2.gz DSIKRZZGFBTVMR-UHFFFAOYSA-N 0 0 228.295 2.616 50 0 BFAARN CC(C)NC(=S)NC1(c2ccccc2)CCC1 ZINC000053581009 167093440 /nfs/dbraw/zinc/09/34/40/167093440.db2.gz CITABIMAIOPNJB-UHFFFAOYSA-N 0 0 248.395 2.938 50 0 BFAARN CC(C)NS(=O)(=O)c1cccc2ccccc21 ZINC000032497849 167130990 /nfs/dbraw/zinc/13/09/90/167130990.db2.gz NUGKVTUTDNLGOA-UHFFFAOYSA-N 0 0 249.335 2.527 50 0 BFAARN CC(C)OCCCC(=O)N1CCCCC[C@H]1C ZINC000170594135 167203302 /nfs/dbraw/zinc/20/33/02/167203302.db2.gz DRYVZGRUNQADNN-CYBMUJFWSA-N 0 0 241.375 2.983 50 0 BFAARN CC(C)Oc1ccc2ccc(=O)oc2c1 ZINC000000248378 167302206 /nfs/dbraw/zinc/30/22/06/167302206.db2.gz XQYLBTNCDDGLDJ-UHFFFAOYSA-N 0 0 204.225 2.580 50 0 biogenic BFAARN CC(C)Oc1cccc([C@@H](O)C(F)F)c1 ZINC000087686859 167307729 /nfs/dbraw/zinc/30/77/29/167307729.db2.gz MJTUECLYWUNXSN-SNVBAGLBSA-N 0 0 216.227 2.772 50 0 BFAARN CC(C)Oc1cccc([C@H](O)C(F)F)c1 ZINC000087686858 167307806 /nfs/dbraw/zinc/30/78/06/167307806.db2.gz MJTUECLYWUNXSN-JTQLQIEISA-N 0 0 216.227 2.772 50 0 BFAARN CC(C)Sc1n[nH]c(Cc2cccs2)n1 ZINC000058393510 167339138 /nfs/dbraw/zinc/33/91/38/167339138.db2.gz UMPAAGAMDYYOEF-UHFFFAOYSA-N 0 0 239.369 2.958 50 0 BFAARN CC(C)Sc1nc2sccn2c1C=O ZINC000000938939 167339276 /nfs/dbraw/zinc/33/92/76/167339276.db2.gz JHGLXTWLUWCGQI-UHFFFAOYSA-N 0 0 226.326 2.709 50 0 BFAARN CC(C)Sc1ncc(Br)cn1 ZINC000040544533 167339499 /nfs/dbraw/zinc/33/94/99/167339499.db2.gz PCQRYZDHZZKNBI-UHFFFAOYSA-N 0 0 233.134 2.740 50 0 BFAARN CC(C)[C@@H](C)Nc1ccn(CC(F)F)n1 ZINC000095991517 167387254 /nfs/dbraw/zinc/38/72/54/167387254.db2.gz XSDVQIIJNRYCOO-MRVPVSSYSA-N 0 0 217.263 2.605 50 0 BFAARN Cc1ncsc1C(=O)N(C)[C@@H](C)CC(C)C ZINC000046787152 411080378 /nfs/dbraw/zinc/08/03/78/411080378.db2.gz MXQSRONRJJQRTD-VIFPVBQESA-N 0 0 240.372 2.958 50 0 BFAARN CC(C)c1cc([C@H]2CCCN2C(=O)C2CC2)no1 ZINC000064555461 167578811 /nfs/dbraw/zinc/57/88/11/167578811.db2.gz LJAZGAVFQHUNMZ-GFCCVEGCSA-N 0 0 248.326 2.872 50 0 BFAARN CC(C)c1ccc(-c2ccc(=O)[nH]n2)cc1 ZINC000000390163 167580460 /nfs/dbraw/zinc/58/04/60/167580460.db2.gz KDRHOGIZKXNGET-UHFFFAOYSA-N 0 0 214.268 2.560 50 0 BFAARN N=c1c2c(sn1Cc1ccccc1)CCCC2 ZINC000107623172 411137315 /nfs/dbraw/zinc/13/73/15/411137315.db2.gz MRWOZWLSQIUKCB-UHFFFAOYSA-N 0 0 244.363 2.956 50 0 BFAARN CC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000044686233 411139430 /nfs/dbraw/zinc/13/94/30/411139430.db2.gz YUVNCBVOTWCVFT-NSHDSACASA-N 0 0 221.300 2.738 50 0 BFAARN C[C@H](C1CC1)[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000044907018 411142220 /nfs/dbraw/zinc/14/22/20/411142220.db2.gz GDUVNPLVKHLVET-SECBINFHSA-N 0 0 247.298 2.560 50 0 BFAARN CC(C)c1nnc(CN(C)c2ccccc2F)o1 ZINC000060378857 167704413 /nfs/dbraw/zinc/70/44/13/167704413.db2.gz QVEGWCIYSOSAEJ-UHFFFAOYSA-N 0 0 249.289 2.969 50 0 BFAARN CC(C)c1nnc(Cc2ccc(F)cc2)o1 ZINC000064556978 167709027 /nfs/dbraw/zinc/70/90/27/167709027.db2.gz UZDXTPPGBHXAOA-UHFFFAOYSA-N 0 0 220.247 2.923 50 0 BFAARN Cc1nc(CNC(=O)Nc2ccccc2)oc1C ZINC000048768927 411216065 /nfs/dbraw/zinc/21/60/65/411216065.db2.gz KMESIQZTTSWIII-UHFFFAOYSA-N 0 0 245.282 2.613 50 0 BFAARN Cc1cc(NC(=O)Nc2ccccc2C)n(C)n1 ZINC000048870111 411219370 /nfs/dbraw/zinc/21/93/70/411219370.db2.gz BRICIELXBQLGLU-UHFFFAOYSA-N 0 0 244.298 2.681 50 0 BFAARN Cc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)o1 ZINC000049044669 411223035 /nfs/dbraw/zinc/22/30/35/411223035.db2.gz URVKSTUZRAMIQW-UHFFFAOYSA-N 0 0 233.271 2.687 50 0 BFAARN Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccco2)nc1 ZINC000049376564 411232100 /nfs/dbraw/zinc/23/21/00/411232100.db2.gz UOVCFOVTDOHRQN-GHMZBOCLSA-N 0 0 242.278 2.725 50 0 BFAARN C[C@@H]1CCCC[C@@H]1N(C)C(=O)C1CCC1 ZINC000040497945 411328514 /nfs/dbraw/zinc/32/85/14/411328514.db2.gz MCYBJECHWLBUNT-PWSUYJOCSA-N 0 0 209.333 2.824 50 0 BFAARN CC(C)OCc1nc(-c2cnccn2)cs1 ZINC000656476171 411282654 /nfs/dbraw/zinc/28/26/54/411282654.db2.gz JWUFNKQIZYAHQV-UHFFFAOYSA-N 0 0 235.312 2.525 50 0 BFAARN CSC1=NCCN1c1c(C)cccc1C ZINC000096027724 411355568 /nfs/dbraw/zinc/35/55/68/411355568.db2.gz DOVRPOYFLSDOGN-UHFFFAOYSA-N 0 0 220.341 2.842 50 0 BFAARN CC1(C)[C@H](O)CC[C@]2(C)[C@@H](O)CCC[C@@]12C ZINC000025626112 168007478 /nfs/dbraw/zinc/00/74/78/168007478.db2.gz RRFARTUDYDSMBW-WVWOOGAGSA-N 0 0 226.360 2.725 50 0 BFAARN CC1=C(C)CN(Cc2nccn2C(F)F)CC1 ZINC000280805765 168084894 /nfs/dbraw/zinc/08/48/94/168084894.db2.gz ITPDKNXFESQYCE-UHFFFAOYSA-N 0 0 241.285 2.820 50 0 BFAARN CC1=CCN(c2nccc(C(F)F)n2)CC1 ZINC000336412723 168116858 /nfs/dbraw/zinc/11/68/58/168116858.db2.gz QURSOYQSBQZVLD-UHFFFAOYSA-N 0 0 225.242 2.571 50 0 BFAARN CC1=CC[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000018062279 168121758 /nfs/dbraw/zinc/12/17/58/168121758.db2.gz ASZMUCNZOBZRBK-OLZOCXBDSA-N 0 0 241.290 2.532 50 0 BFAARN CC1=N/C(=C/c2ccc(Cl)cc2)C(=O)O1 ZINC000001624768 168133108 /nfs/dbraw/zinc/13/31/08/168133108.db2.gz NWYIDAQFRYQRFT-UXBLZVDNSA-N 0 0 221.643 2.656 50 0 BFAARN Cc1cc(=O)n(-c2ccc(C)c(Cl)c2)[nH]1 ZINC000000381059 168134227 /nfs/dbraw/zinc/13/42/27/168134227.db2.gz UKTMRPNPEMPQMC-UHFFFAOYSA-N 0 0 222.675 2.761 50 0 BFAARN CC1CCC(NC(=O)CC[C@@H]2CCCO2)CC1 ZINC000036397011 168161931 /nfs/dbraw/zinc/16/19/31/168161931.db2.gz JZFRBHGURGZSCB-BPCQOVAHSA-N 0 0 239.359 2.641 50 0 BFAARN CCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C ZINC000000391239 168214874 /nfs/dbraw/zinc/21/48/74/168214874.db2.gz ZMRFZBKROHCLIL-BXKDBHETSA-N 0 0 233.267 2.505 50 0 BFAARN CCC(=O)N1CC[C@@H](CC2CCCC2)C1 ZINC000225448171 168222625 /nfs/dbraw/zinc/22/26/25/168222625.db2.gz PKDAKMZTYGAQOA-LBPRGKRZSA-N 0 0 209.333 2.825 50 0 BFAARN CCC(=O)N1CCc2cc3cccc(C)c3nc21 ZINC000015841977 168225753 /nfs/dbraw/zinc/22/57/53/168225753.db2.gz BIQLPGLVTCNPHS-UHFFFAOYSA-N 0 0 240.306 2.842 50 0 BFAARN CCC(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000058277601 168228010 /nfs/dbraw/zinc/22/80/10/168228010.db2.gz KFNUQNGQBIFLQZ-UHFFFAOYSA-N 0 0 235.302 2.774 50 0 BFAARN CCC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000044565776 168228795 /nfs/dbraw/zinc/22/87/95/168228795.db2.gz FSESPPKYENFSMQ-UHFFFAOYSA-N 0 0 221.344 2.729 50 0 BFAARN CCC(=O)N[C@@H](CC)c1ccc(OC)cc1 ZINC000060640905 168236513 /nfs/dbraw/zinc/23/65/13/168236513.db2.gz CPDGDEAXHRHURH-LBPRGKRZSA-N 0 0 221.300 2.673 50 0 BFAARN CCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000055274557 168237203 /nfs/dbraw/zinc/23/72/03/168237203.db2.gz FISZKMZDSPXLAU-JGVFFNPUSA-N 0 0 223.238 2.634 50 0 BFAARN CCC(=O)N[C@@H]1CCSc2ccccc21 ZINC000013011754 168237932 /nfs/dbraw/zinc/23/79/32/168237932.db2.gz NTYTVAAOVNPFEG-SNVBAGLBSA-N 0 0 221.325 2.750 50 0 BFAARN CCC(=O)Nc1ccc(Cl)cc1F ZINC000005916353 168244112 /nfs/dbraw/zinc/24/41/12/168244112.db2.gz ZRMJPFLSUNFFIH-UHFFFAOYSA-N 0 0 201.628 2.828 50 0 BFAARN CCC(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1 ZINC000012138739 168244149 /nfs/dbraw/zinc/24/41/49/168244149.db2.gz XAECELFTTFHQEY-SNVBAGLBSA-N 0 0 248.326 2.563 50 0 BFAARN CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000000078765 168244575 /nfs/dbraw/zinc/24/45/75/168244575.db2.gz GFJKYZZAILHFPK-UHFFFAOYSA-N 0 0 201.628 2.828 50 0 BFAARN CCC(=O)Nc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC000012138789 168245759 /nfs/dbraw/zinc/24/57/59/168245759.db2.gz MGPDHIZPRDIUNZ-JTQLQIEISA-N 0 0 248.326 2.563 50 0 BFAARN CCC(=O)Nc1cccc2nc(C)ccc21 ZINC000004736798 168247224 /nfs/dbraw/zinc/24/72/24/168247224.db2.gz HOCRPXZHFVTSSR-UHFFFAOYSA-N 0 0 214.268 2.892 50 0 BFAARN CCC(=O)O[C@H](C)C(Cl)(Cl)Cl ZINC000000164129 168249863 /nfs/dbraw/zinc/24/98/63/168249863.db2.gz VXRBEUCXWCLGJH-SCSAIBSYSA-N 0 0 219.495 2.698 50 0 BFAARN CCC(=O)n1nc(C)cc1-c1ccccc1 ZINC000000387750 168258295 /nfs/dbraw/zinc/25/82/95/168258295.db2.gz MPGUOJAMCDQHFU-UHFFFAOYSA-N 0 0 214.268 2.909 50 0 BFAARN CCC(=O)c1ccccc1OC(F)F ZINC000020283176 168258452 /nfs/dbraw/zinc/25/84/52/168258452.db2.gz GJDKFXPSSMGLKD-UHFFFAOYSA-N 0 0 200.184 2.881 50 0 BFAARN CCC(C)(C)NC(=O)Cc1cccc(F)c1 ZINC000042137992 168291573 /nfs/dbraw/zinc/29/15/73/168291573.db2.gz GEGDRIGDKVMFFG-UHFFFAOYSA-N 0 0 223.291 2.673 50 0 BFAARN CCC(C)(C)NC(=O)c1cccc(COC)c1 ZINC000040472920 168297242 /nfs/dbraw/zinc/29/72/42/168297242.db2.gz VSTHNJUFJZJAQF-UHFFFAOYSA-N 0 0 235.327 2.751 50 0 BFAARN CCC(C)(C)NC(=O)c1scnc1Cl ZINC000047246794 168297887 /nfs/dbraw/zinc/29/78/87/168297887.db2.gz RZNZXQGFYVWICH-UHFFFAOYSA-N 0 0 232.736 2.715 50 0 BFAARN CCC(C)(C)NC(=O)c1ccccc1C ZINC000000620801 168297972 /nfs/dbraw/zinc/29/79/72/168297972.db2.gz QRJDAHUXEKGJIQ-UHFFFAOYSA-N 0 0 205.301 2.913 50 0 BFAARN CCC(C)(C)c1ccc(OCCO)cc1 ZINC000001600251 168305440 /nfs/dbraw/zinc/30/54/40/168305440.db2.gz BXXDXUTVAFRBKC-UHFFFAOYSA-N 0 0 208.301 2.745 50 0 BFAARN CCC(C)(C)c1nc(-c2ccc(C)nn2)no1 ZINC000091706929 168306319 /nfs/dbraw/zinc/30/63/19/168306319.db2.gz DVQBWXHDSZVEGC-UHFFFAOYSA-N 0 0 232.287 2.523 50 0 BFAARN C=CC(=O)Nc1ccc(F)c(Br)c1 ZINC000159784511 411400672 /nfs/dbraw/zinc/40/06/72/411400672.db2.gz VQLWZSGYXVKVFL-UHFFFAOYSA-N 0 0 244.063 2.713 50 0 BFAARN CCN(Cc1ccccc1)C(=O)C(C)C ZINC000000029789 169914204 /nfs/dbraw/zinc/91/42/04/169914204.db2.gz JUBWTXYAZJPYRN-UHFFFAOYSA-N 0 0 205.301 2.691 50 0 BFAARN CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000006311750 170043293 /nfs/dbraw/zinc/04/32/93/170043293.db2.gz HXPZSBRFLOQRDP-UHFFFAOYSA-N 0 0 241.718 2.634 50 0 BFAARN CCNC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000077538579 170072632 /nfs/dbraw/zinc/07/26/32/170072632.db2.gz CKCRTQFYLNMNSA-LLVKDONJSA-N 0 0 236.315 2.926 50 0 BFAARN CCNC(=O)Nc1cc(Cl)ccc1C ZINC000000396221 170084632 /nfs/dbraw/zinc/08/46/32/170084632.db2.gz YLMGICWPBUWRLP-UHFFFAOYSA-N 0 0 212.680 2.790 50 0 BFAARN CCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000013688962 170089848 /nfs/dbraw/zinc/08/98/48/170089848.db2.gz LNJVECKPLCIYNI-LLVKDONJSA-N 0 0 243.306 2.743 50 0 BFAARN CCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000044998538 170096549 /nfs/dbraw/zinc/09/65/49/170096549.db2.gz YCCQLILCCFVQGB-NSHDSACASA-N 0 0 249.354 2.888 50 0 BFAARN CCNC(=O)c1ccc(OCCC(C)C)cc1 ZINC000045165406 170102997 /nfs/dbraw/zinc/10/29/97/170102997.db2.gz URLVTJSMSMTOHP-UHFFFAOYSA-N 0 0 235.327 2.861 50 0 BFAARN CCNC(=O)c1cccc(-c2ccccc2O)c1 ZINC000065340093 170103174 /nfs/dbraw/zinc/10/31/74/170103174.db2.gz LPTWLIBHEYXBSW-UHFFFAOYSA-N 0 0 241.290 2.809 50 0 BFAARN CCNC(=O)c1ccccc1SCC ZINC000004704409 170104802 /nfs/dbraw/zinc/10/48/02/170104802.db2.gz DRNYXRUKJRFDNH-UHFFFAOYSA-N 0 0 209.314 2.548 50 0 BFAARN CCNC(=O)c1sc(-c2ccccc2)nc1C ZINC000000860523 170105332 /nfs/dbraw/zinc/10/53/32/170105332.db2.gz LVRIWUAOPNEYRV-UHFFFAOYSA-N 0 0 246.335 2.868 50 0 BFAARN CCNC(=S)Nc1cccc2cnccc21 ZINC000003310310 170106471 /nfs/dbraw/zinc/10/64/71/170106471.db2.gz QSBKSUTZKXKCED-UHFFFAOYSA-N 0 0 231.324 2.541 50 0 BFAARN CCNc1nc(SC)nc2ccccc21 ZINC000069453207 170176991 /nfs/dbraw/zinc/17/69/91/170176991.db2.gz BJZCRGBLVITDRY-UHFFFAOYSA-N 0 0 219.313 2.784 50 0 BFAARN CCNc1nnc(-c2ccc(C)cc2)s1 ZINC000000536400 170178675 /nfs/dbraw/zinc/17/86/75/170178675.db2.gz TXVFCJCTSHHUML-UHFFFAOYSA-N 0 0 219.313 2.945 50 0 BFAARN CCOC(=O)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002387804 170184616 /nfs/dbraw/zinc/18/46/16/170184616.db2.gz VQDPLASXAHWKJX-UHFFFAOYSA-N 0 0 234.295 2.730 50 0 BFAARN CCOC(=O)C(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000042898704 170184629 /nfs/dbraw/zinc/18/46/29/170184629.db2.gz SCIVTBWGVQKNSH-UHFFFAOYSA-N 0 0 248.322 2.975 50 0 BFAARN CCOC(=O)C(C)(C)CC(=O)c1ccccc1 ZINC000002378869 170186310 /nfs/dbraw/zinc/18/63/10/170186310.db2.gz XXWKAOVDOXZXBY-UHFFFAOYSA-N 0 0 234.295 2.849 50 0 BFAARN CCOC(=O)CCC(=O)Nc1cc(C)ccc1C ZINC000036396967 170198649 /nfs/dbraw/zinc/19/86/49/170198649.db2.gz JBYRRSMGJNIUOH-UHFFFAOYSA-N 0 0 249.310 2.585 50 0 BFAARN CCOC(=O)COc1ccc(Cl)c(C)c1 ZINC000000063332 170228833 /nfs/dbraw/zinc/22/88/33/170228833.db2.gz WPUJVPOAINZFOV-UHFFFAOYSA-N 0 0 228.675 2.590 50 0 BFAARN CCOC(=O)COc1cc(Cl)ccc1Cl ZINC000002783151 170228743 /nfs/dbraw/zinc/22/87/43/170228743.db2.gz HVNBLATYAZPASX-UHFFFAOYSA-N 0 0 249.093 2.935 50 0 BFAARN CCOC(=O)Cc1c(C)[nH]c2ccccc21 ZINC000000403321 170234452 /nfs/dbraw/zinc/23/44/52/170234452.db2.gz SLEXJGHKKHQSDC-UHFFFAOYSA-N 0 0 217.268 2.582 50 0 BFAARN CCOC(=O)Cc1ccc2ccccc2c1 ZINC000000394326 170235800 /nfs/dbraw/zinc/23/58/00/170235800.db2.gz PZNMRIQALHUBSJ-UHFFFAOYSA-N 0 0 214.264 2.945 50 0 BFAARN CCOC(=O)Nc1cc(C(C)(C)C)on1 ZINC000000215175 170243242 /nfs/dbraw/zinc/24/32/42/170243242.db2.gz QUCROCXEJQRURH-UHFFFAOYSA-N 0 0 212.249 2.541 50 0 BFAARN CCOC(=O)Nc1ccc(F)cc1F ZINC000000110834 170243671 /nfs/dbraw/zinc/24/36/71/170243671.db2.gz BPSIMPGQOACUJF-UHFFFAOYSA-N 0 0 201.172 2.533 50 0 BFAARN CCOC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000095347619 170246141 /nfs/dbraw/zinc/24/61/41/170246141.db2.gz UPJAGKHUQZSQSK-NSHDSACASA-N 0 0 206.285 2.737 50 0 BFAARN CCOC(=O)[C@@H](CC)n1nc(C)c(Cl)c1C ZINC000002536985 170251042 /nfs/dbraw/zinc/25/10/42/170251042.db2.gz RDBKXUMHEHBBHD-SECBINFHSA-N 0 0 244.722 2.668 50 0 BFAARN CCOC(=O)[C@@H]1CCC[C@H]1Nc1ccccc1 ZINC000034062827 170259104 /nfs/dbraw/zinc/25/91/04/170259104.db2.gz QGPNXJMZTWTKJY-CHWSQXEVSA-N 0 0 233.311 2.830 50 0 BFAARN CCOC(=O)[C@H](C)Oc1cc(C)cc(C)c1 ZINC000002735455 170269304 /nfs/dbraw/zinc/26/93/04/170269304.db2.gz VUORDMCVSLAQAB-NSHDSACASA-N 0 0 222.284 2.634 50 0 BFAARN CCOC(=O)[C@H](NCC(C)C)c1ccccc1 ZINC000037853299 170277644 /nfs/dbraw/zinc/27/76/44/170277644.db2.gz PEJYAMCCFVSGGU-CYBMUJFWSA-N 0 0 235.327 2.536 50 0 BFAARN CCOC(=O)c1[nH]c2ccccc2c1C(C)=O ZINC000011803990 170286501 /nfs/dbraw/zinc/28/65/01/170286501.db2.gz OBKLUIREWBKOKC-UHFFFAOYSA-N 0 0 231.251 2.547 50 0 BFAARN CCOC(=O)c1[nH]c2c(cccc2F)c1C ZINC000034925324 170286564 /nfs/dbraw/zinc/28/65/64/170286564.db2.gz FELQWPGMTRNCFI-UHFFFAOYSA-N 0 0 221.231 2.792 50 0 BFAARN CCOC(=O)c1c(C)[nH]c2ccc(F)cc21 ZINC000002512989 170287128 /nfs/dbraw/zinc/28/71/28/170287128.db2.gz FORZEOSWWHEOEL-UHFFFAOYSA-N 0 0 221.231 2.792 50 0 BFAARN CCOC(=O)c1c(N)scc1-c1ccncc1 ZINC000000442810 170287769 /nfs/dbraw/zinc/28/77/69/170287769.db2.gz LKLAPQXKZAVVPT-UHFFFAOYSA-N 0 0 248.307 2.569 50 0 BFAARN CCOC(=O)c1c(N)scc1C(C)C ZINC000000066308 170287809 /nfs/dbraw/zinc/28/78/09/170287809.db2.gz YJQXDJCAPDKLGP-UHFFFAOYSA-N 0 0 213.302 2.630 50 0 BFAARN CCOC(=O)c1c(C)nc(C)cc1Cl ZINC000001676958 170288624 /nfs/dbraw/zinc/28/86/24/170288624.db2.gz KBTAWKCADOMPGE-UHFFFAOYSA-N 0 0 213.664 2.529 50 0 BFAARN CCOC(=O)c1cc(-c2ccccc2)on1 ZINC000001401891 170290750 /nfs/dbraw/zinc/29/07/50/170290750.db2.gz DSUXKYCDKKYGKX-UHFFFAOYSA-N 0 0 217.224 2.518 50 0 BFAARN CCOC(=O)c1cc(-c2ccccc2)no1 ZINC000000266288 170291170 /nfs/dbraw/zinc/29/11/70/170291170.db2.gz XYKADOXYAZEDNB-UHFFFAOYSA-N 0 0 217.224 2.518 50 0 BFAARN CCOC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000016576934 170291249 /nfs/dbraw/zinc/29/12/49/170291249.db2.gz HTPSACSWHIBYSW-UHFFFAOYSA-N 0 0 247.294 2.923 50 0 BFAARN CCOC(=O)c1cc(Cl)c(F)cc1OC ZINC000095616706 170292100 /nfs/dbraw/zinc/29/21/00/170292100.db2.gz STVPQPSITOONQH-UHFFFAOYSA-N 0 0 232.638 2.664 50 0 BFAARN CCOC(=O)c1cc(F)ccc1Br ZINC000034440147 170292307 /nfs/dbraw/zinc/29/23/07/170292307.db2.gz ODFAIHQRCRQZGM-UHFFFAOYSA-N 0 0 247.063 2.765 50 0 BFAARN CCOC(=O)c1cc2cc(OC)ccc2nc1C ZINC000000053127 170293915 /nfs/dbraw/zinc/29/39/15/170293915.db2.gz DOOZEQYEQPQCGX-UHFFFAOYSA-N 0 0 245.278 2.729 50 0 BFAARN CCOC(=O)c1cc2ccccc2cc1N ZINC000020362701 170294222 /nfs/dbraw/zinc/29/42/22/170294222.db2.gz OPZJRRFHEFBPCY-UHFFFAOYSA-N 0 0 215.252 2.599 50 0 BFAARN CCOC(=O)c1ccc(Br)c(C)c1 ZINC000002568098 170294716 /nfs/dbraw/zinc/29/47/16/170294716.db2.gz GIGDAWLJINYIFV-UHFFFAOYSA-N 0 0 243.100 2.934 50 0 BFAARN CCOC(=O)c1ccc(-c2cc(C)ccn2)o1 ZINC000045028404 170294726 /nfs/dbraw/zinc/29/47/26/170294726.db2.gz KHKSXBDQDXTIRM-UHFFFAOYSA-N 0 0 231.251 2.827 50 0 BFAARN CCOC(=O)c1ccc(C)c(Br)c1 ZINC000021303565 170295057 /nfs/dbraw/zinc/29/50/57/170295057.db2.gz ILZQYNXOOLMOGA-UHFFFAOYSA-N 0 0 243.100 2.934 50 0 BFAARN CCOC(=O)c1ccc(C(=O)C(F)(F)F)cc1 ZINC000002378549 170295162 /nfs/dbraw/zinc/29/51/62/170295162.db2.gz MSPQBVVINOKAFC-UHFFFAOYSA-N 0 0 246.184 2.608 50 0 BFAARN CCOC(=O)c1ccc(C(F)(F)F)cc1 ZINC000000162661 170295558 /nfs/dbraw/zinc/29/55/58/170295558.db2.gz ZQDADDSPMCHZPX-UHFFFAOYSA-N 0 0 218.174 2.882 50 0 BFAARN CCOC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000005461869 170297821 /nfs/dbraw/zinc/29/78/21/170297821.db2.gz VQDRHZVLRCGSFX-UHFFFAOYSA-N 0 0 217.268 2.961 50 0 BFAARN CCOC(=O)c1cccc(-c2cnco2)c1 ZINC000090470784 170298791 /nfs/dbraw/zinc/29/87/91/170298791.db2.gz UAWUYDWGOSIVAQ-UHFFFAOYSA-N 0 0 217.224 2.518 50 0 BFAARN CCOC(=O)c1cccnc1-c1ccccc1 ZINC000034521421 170300251 /nfs/dbraw/zinc/30/02/51/170300251.db2.gz RQHOSUIKZMCYGD-UHFFFAOYSA-N 0 0 227.263 2.925 50 0 BFAARN CCOC(=O)c1nc(-c2ccccc2)oc1C ZINC000005000426 170305947 /nfs/dbraw/zinc/30/59/47/170305947.db2.gz BIHPJNQKVPGOCY-UHFFFAOYSA-N 0 0 231.251 2.827 50 0 BFAARN CCOC(=O)c1sc(-c2ccccn2)nc1C ZINC000000168427 170310311 /nfs/dbraw/zinc/31/03/11/170310311.db2.gz UGCVLLXXBVTJPK-UHFFFAOYSA-N 0 0 248.307 2.690 50 0 BFAARN CCOC(OCC)C(C)(C)C(OCC)OCC ZINC000005858440 170315803 /nfs/dbraw/zinc/31/58/03/170315803.db2.gz VUFSCSMOKMPDLE-UHFFFAOYSA-N 0 0 248.363 2.811 50 0 BFAARN CCOCC(=O)Nc1ccccc1C(F)(F)F ZINC000002842943 170349057 /nfs/dbraw/zinc/34/90/57/170349057.db2.gz NOZHVHFFTPUHAX-UHFFFAOYSA-N 0 0 247.216 2.680 50 0 BFAARN CCOCCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000004827014 170362735 /nfs/dbraw/zinc/36/27/35/170362735.db2.gz SIAVHDMDOONUBH-UHFFFAOYSA-N 0 0 245.681 2.844 50 0 BFAARN CCOCCCNC(=O)[C@H](CC)c1ccccc1 ZINC000002729988 170378506 /nfs/dbraw/zinc/37/85/06/170378506.db2.gz RNNXMLCPTQZDCP-CQSZACIVSA-N 0 0 249.354 2.723 50 0 BFAARN CCO[C@@]12CCCC[C@H]1C(=O)N2c1ccccc1 ZINC000000333302 170496737 /nfs/dbraw/zinc/49/67/37/170496737.db2.gz WMQKYGLGFAQUCD-ZFWWWQNUSA-N 0 0 245.322 2.956 50 0 BFAARN CCOc1ccc(Br)cc1C=O ZINC000000148568 170536470 /nfs/dbraw/zinc/53/64/70/170536470.db2.gz NFCBVQSSJAXEJD-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN CCOc1ccc(CNC(=O)c2ccco2)cc1 ZINC000000418012 170544490 /nfs/dbraw/zinc/54/44/90/170544490.db2.gz RZKISNPBMUIXSM-UHFFFAOYSA-N 0 0 245.278 2.608 50 0 BFAARN CCOc1cccc([C@H](C)NC(=O)NC2CC2)c1 ZINC000020538102 170585962 /nfs/dbraw/zinc/58/59/62/170585962.db2.gz NITZVQIXZPRZSC-JTQLQIEISA-N 0 0 248.326 2.608 50 0 BFAARN CCOc1ccccc1C(=O)N1CCC[C@@H](C)C1 ZINC000005475990 170590084 /nfs/dbraw/zinc/59/00/84/170590084.db2.gz OWWPOXILFVPGBZ-GFCCVEGCSA-N 0 0 247.338 2.957 50 0 BFAARN CCOc1ccccc1C(=O)n1nc(C)cc1C ZINC000000476143 170590617 /nfs/dbraw/zinc/59/06/17/170590617.db2.gz UTPTXVSZDXQCJW-UHFFFAOYSA-N 0 0 244.294 2.587 50 0 BFAARN CCS(=O)(=O)Nc1ccccc1C(C)(C)C ZINC000013331771 170621586 /nfs/dbraw/zinc/62/15/86/170621586.db2.gz PBEGFPSPCOJKSM-UHFFFAOYSA-N 0 0 241.356 2.746 50 0 BFAARN CC[C@@H](C(=O)O[C@H]1CCOC1)c1ccccc1 ZINC000071883885 170673264 /nfs/dbraw/zinc/67/32/64/170673264.db2.gz LPUSOKKFKZYVIZ-QWHCGFSZSA-N 0 0 234.295 2.512 50 0 BFAARN CC[C@@H](C)C(=O)NCCCc1ccccc1 ZINC000044895764 170680216 /nfs/dbraw/zinc/68/02/16/170680216.db2.gz AIMDRQSGPAJVJH-GFCCVEGCSA-N 0 0 219.328 2.782 50 0 BFAARN CC[C@@H](C)NC(=O)COc1ccccc1Cl ZINC000005718997 170740064 /nfs/dbraw/zinc/74/00/64/170740064.db2.gz VGDNQSHCVNJTPW-SECBINFHSA-N 0 0 241.718 2.634 50 0 BFAARN CC[C@@H](C)NC(=O)NCc1cccc(Cl)c1 ZINC000013746283 170743125 /nfs/dbraw/zinc/74/31/25/170743125.db2.gz SHIUMLJHYVZSOG-SECBINFHSA-N 0 0 240.734 2.938 50 0 BFAARN CC[C@@H](NC(=O)C(C)C)c1ccc(OC)cc1 ZINC000070242466 170874333 /nfs/dbraw/zinc/87/43/33/170874333.db2.gz FUVMUVCUKJPQMP-CYBMUJFWSA-N 0 0 235.327 2.919 50 0 BFAARN CC[C@@H]1CN(C(=O)Nc2cccc(C)c2)CCO1 ZINC000012877723 171067486 /nfs/dbraw/zinc/06/74/86/171067486.db2.gz VUAPHXPXRLRITF-CYBMUJFWSA-N 0 0 248.326 2.638 50 0 BFAARN CC[C@@H]1CN(Cc2csc(C)n2)CCS1 ZINC000076073580 171091956 /nfs/dbraw/zinc/09/19/56/171091956.db2.gz NKYNMKBLKZKIHH-LLVKDONJSA-N 0 0 242.413 2.779 50 0 BFAARN CC[C@H](C(=O)Nc1nncs1)c1ccccc1 ZINC000004680201 171234729 /nfs/dbraw/zinc/23/47/29/171234729.db2.gz GVJODQHVMKKSFK-JTQLQIEISA-N 0 0 247.323 2.670 50 0 BFAARN CC[C@H](C)C(=O)N(c1ccccc1)[C@@H]1CCOC1 ZINC000192079473 171247191 /nfs/dbraw/zinc/24/71/91/171247191.db2.gz LUNLGNSYNGEFEE-GXTWGEPZSA-N 0 0 247.338 2.855 50 0 BFAARN CC[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000000030727 171251733 /nfs/dbraw/zinc/25/17/33/171251733.db2.gz KXMWLEIYHAUXFA-NSHDSACASA-N 0 0 205.301 2.657 50 0 BFAARN CC[C@H](C)C(=O)NCc1nc2ccccc2s1 ZINC000036656979 171252244 /nfs/dbraw/zinc/25/22/44/171252244.db2.gz LNRWHXUBLJPBMC-VIFPVBQESA-N 0 0 248.351 2.959 50 0 BFAARN CC[C@H](C)C(=O)N[C@H](C)CCc1ccco1 ZINC000041975742 171253782 /nfs/dbraw/zinc/25/37/82/171253782.db2.gz VSSCUFZFKBMHMI-WDEREUQCSA-N 0 0 223.316 2.763 50 0 BFAARN CC[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000057547488 171253815 /nfs/dbraw/zinc/25/38/15/171253815.db2.gz VRZFSVSRERGWKE-JQWIXIFHSA-N 0 0 233.311 2.673 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000023465095 171255187 /nfs/dbraw/zinc/25/51/87/171255187.db2.gz WGTXCCJXKVQVAM-NSHDSACASA-N 0 0 247.342 2.666 50 0 BFAARN CC[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000005665500 171255988 /nfs/dbraw/zinc/25/59/88/171255988.db2.gz ARVBRUYZYLJRKP-VIFPVBQESA-N 0 0 234.299 2.630 50 0 BFAARN CC[C@H](C)N(C)c1ccc(NC(C)=O)cc1 ZINC000000345664 171309511 /nfs/dbraw/zinc/30/95/11/171309511.db2.gz YJQYPYSZLNCGIC-JTQLQIEISA-N 0 0 220.316 2.880 50 0 BFAARN CC[C@H](C)NC(=O)/C=C\c1ccccc1 ZINC000017160873 171321940 /nfs/dbraw/zinc/32/19/40/171321940.db2.gz HOKNEZLZDQSGDN-JUDLJHIGSA-N 0 0 203.285 2.615 50 0 BFAARN CC[C@H](C)NC(=O)NCCC1=CCCCC1 ZINC000013745682 171328884 /nfs/dbraw/zinc/32/88/84/171328884.db2.gz PLRHCOCIERDVGO-NSHDSACASA-N 0 0 224.348 2.975 50 0 BFAARN CC[C@H](C)NC(=O)NCc1ccc(Cl)cc1 ZINC000013746305 171328889 /nfs/dbraw/zinc/32/88/89/171328889.db2.gz GKBJVSYEGVKPCO-VIFPVBQESA-N 0 0 240.734 2.938 50 0 BFAARN CC[C@H](C)NC(=O)N[C@H](C)c1ccccc1 ZINC000020573000 171329953 /nfs/dbraw/zinc/32/99/53/171329953.db2.gz IHVHLHIGUVSVPV-WDEREUQCSA-N 0 0 220.316 2.845 50 0 BFAARN CC[C@H](C)NC(=O)Nc1cccc(C(C)=O)c1 ZINC000040525804 171331138 /nfs/dbraw/zinc/33/11/38/171331138.db2.gz WQHRTLUNMHJSOG-VIFPVBQESA-N 0 0 234.299 2.809 50 0 BFAARN CC[C@H](C)NC(=O)c1c(C)oc(C)c1C ZINC000012947770 171336493 /nfs/dbraw/zinc/33/64/93/171336493.db2.gz HRVDPCVFEWKKPC-ZETCQYMHSA-N 0 0 209.289 2.733 50 0 BFAARN CC[C@H](C)NC(=O)c1cc(C)sc1C ZINC000032747645 171336701 /nfs/dbraw/zinc/33/67/01/171336701.db2.gz DUDHCMRFWMCJAR-ZETCQYMHSA-N 0 0 211.330 2.893 50 0 BFAARN CC[C@H](C)[C@H]([NH2+]Cc1cccc(C)c1)C(=O)[O-] ZINC000000258970 171399859 /nfs/dbraw/zinc/39/98/59/171399859.db2.gz DFCDGYOQLIZVMK-AAEUAGOBSA-N 0 0 235.327 2.584 50 0 BFAARN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC ZINC000020456158 171596174 /nfs/dbraw/zinc/59/61/74/171596174.db2.gz AABOVXIFPVNSCK-JTQLQIEISA-N 0 0 243.759 2.957 50 0 BFAARN CCc1cc2c([nH]c(C(C)C)nc2=O)s1 ZINC000008804413 171775374 /nfs/dbraw/zinc/77/53/74/171775374.db2.gz ZQCZOMDZOZVLOQ-UHFFFAOYSA-N 0 0 222.313 2.670 50 0 BFAARN CCc1ccc(-c2oc(C)c(C)[n+]2[O-])cc1 ZINC000020663798 171781413 /nfs/dbraw/zinc/78/14/13/171781413.db2.gz KPAQCVQLDBKLMI-UHFFFAOYSA-N 0 0 217.268 2.759 50 0 BFAARN CCc1ccc(CC(=O)NCC(C)C)cc1 ZINC000071375608 171790556 /nfs/dbraw/zinc/79/05/56/171790556.db2.gz VQYAXYVUZSFNBD-UHFFFAOYSA-N 0 0 219.328 2.564 50 0 BFAARN CCc1ccc([C@H](C)NC(=O)[C@@H]2CCCO2)cc1 ZINC000006698187 171838635 /nfs/dbraw/zinc/83/86/35/171838635.db2.gz CRKWRKJYTWXEFR-FZMZJTMJSA-N 0 0 247.338 2.605 50 0 BFAARN CCc1cccc(NC(=O)c2ccncc2)c1 ZINC000000994741 171862103 /nfs/dbraw/zinc/86/21/03/171862103.db2.gz DLMHLNUPERUYIZ-UHFFFAOYSA-N 0 0 226.279 2.896 50 0 BFAARN CCc1nc2c(OC)ccc(OC)c2nc1CC ZINC000012339225 172008693 /nfs/dbraw/zinc/00/86/93/172008693.db2.gz DEYXQPUAEKZWTF-UHFFFAOYSA-N 0 0 246.310 2.772 50 0 BFAARN CCc1nc2c(s1)[C@H](N(C)C(C)=O)CCC2 ZINC000089295712 172009369 /nfs/dbraw/zinc/00/93/69/172009369.db2.gz ZNFVLNXFRNYDHT-SNVBAGLBSA-N 0 0 238.356 2.561 50 0 BFAARN CCc1nc2cc(Br)ccc2[nH]1 ZINC000062807344 172010104 /nfs/dbraw/zinc/01/01/04/172010104.db2.gz MXZRWGLRCREKFP-UHFFFAOYSA-N 0 0 225.089 2.888 50 0 BFAARN CCc1nc2sc3c(c2c(=O)o1)CCCC3 ZINC000000186152 172015420 /nfs/dbraw/zinc/01/54/20/172015420.db2.gz BCRHIPFAMYTUKC-UHFFFAOYSA-N 0 0 235.308 2.691 50 0 BFAARN CCc1nccn1CC(=O)c1ccc(C)s1 ZINC000042420024 172025319 /nfs/dbraw/zinc/02/53/19/172025319.db2.gz BVODCVNIRNKMCD-UHFFFAOYSA-N 0 0 234.324 2.698 50 0 BFAARN CCc1nn2cc(C(C)(C)C)nc2s1 ZINC000000091916 172045116 /nfs/dbraw/zinc/04/51/16/172045116.db2.gz WKZXBIPDYYJOET-UHFFFAOYSA-N 0 0 209.318 2.651 50 0 BFAARN CCc1nnc(SCCCCCF)n1C ZINC000241124252 172061596 /nfs/dbraw/zinc/06/15/96/172061596.db2.gz JGSCROVNFCWJNF-UHFFFAOYSA-N 0 0 231.340 2.609 50 0 BFAARN CCc1noc(C)c1C(=O)Nc1ccccc1F ZINC000013325590 172074915 /nfs/dbraw/zinc/07/49/15/172074915.db2.gz QOFFCICZTCMVIR-UHFFFAOYSA-N 0 0 248.257 2.937 50 0 BFAARN CCc1noc(C)c1COc1cccnc1C ZINC000096007462 172081405 /nfs/dbraw/zinc/08/14/05/172081405.db2.gz DUNNCCYZMKKKAA-UHFFFAOYSA-N 0 0 232.283 2.828 50 0 BFAARN CCc1oc(C(=O)N2CCCCC2)cc1C ZINC000089280263 172110154 /nfs/dbraw/zinc/11/01/54/172110154.db2.gz MTSJIEAATJMZNH-UHFFFAOYSA-N 0 0 221.300 2.777 50 0 BFAARN CCc1ocnc1C(=O)N1CCCCCCC1 ZINC000095399630 172119292 /nfs/dbraw/zinc/11/92/92/172119292.db2.gz SLLZWEPAUQJGHF-UHFFFAOYSA-N 0 0 236.315 2.643 50 0 BFAARN CCn1c(=N)sc2cc(Cl)ccc21 ZINC000100969192 172130814 /nfs/dbraw/zinc/13/08/14/172130814.db2.gz XNVKDGHWMFTJJB-UHFFFAOYSA-N 0 0 212.705 2.856 50 0 BFAARN CCn1c(Cc2cccs2)n[nH]c1=S ZINC000006125695 172144626 /nfs/dbraw/zinc/14/46/26/172144626.db2.gz YENZXJALVSDLPE-UHFFFAOYSA-N 0 0 225.342 2.613 50 0 BFAARN CCn1c(SC(C)C)nc2ccccc2c1=O ZINC000000533118 172147186 /nfs/dbraw/zinc/14/71/86/172147186.db2.gz MWMXSDCZEVYIJF-UHFFFAOYSA-N 0 0 248.351 2.917 50 0 BFAARN CCN1C(=S)N=NC1c1ccccc1Cl ZINC000002526660 172147754 /nfs/dbraw/zinc/14/77/54/172147754.db2.gz GTLAVOKFTAGRKS-UHFFFAOYSA-N 0 0 239.731 2.907 50 0 BFAARN CCN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000000521773 172148139 /nfs/dbraw/zinc/14/81/39/172148139.db2.gz CPAZNRFBIAFEIA-UHFFFAOYSA-N 0 0 239.731 2.907 50 0 BFAARN CCn1cc(-c2nc3ccccc3[nH]2)c(C)n1 ZINC000012397145 172149833 /nfs/dbraw/zinc/14/98/33/172149833.db2.gz YJAMGOZLWKQFFM-UHFFFAOYSA-N 0 0 226.283 2.755 50 0 BFAARN CCn1cc(CNc2ccccc2)c(C)n1 ZINC000002536245 172175540 /nfs/dbraw/zinc/17/55/40/172175540.db2.gz INGGVACWPSFQSQ-UHFFFAOYSA-N 0 0 215.300 2.824 50 0 BFAARN CCn1cc(Nc2ncnc3sccc32)cn1 ZINC000035781453 172189999 /nfs/dbraw/zinc/18/99/99/172189999.db2.gz PWMLCJFNDQSPGI-UHFFFAOYSA-N 0 0 245.311 2.651 50 0 BFAARN CCn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000000143666 172233375 /nfs/dbraw/zinc/23/33/75/172233375.db2.gz NOSGAIOQXNUEDX-MRVPVSSYSA-N 0 0 248.351 2.603 50 0 BFAARN CCn1nc(C)c(NC(=O)C2CCCC2)c1C ZINC000002764635 172247179 /nfs/dbraw/zinc/24/71/79/172247179.db2.gz LFCNMQQZTTVRBF-UHFFFAOYSA-N 0 0 235.331 2.649 50 0 BFAARN CCn1nc(C)c(NC(=O)c2ccoc2C)c1C ZINC000000355988 172248667 /nfs/dbraw/zinc/24/86/67/172248667.db2.gz GVTUQQRBJNOGMJ-UHFFFAOYSA-N 0 0 247.298 2.674 50 0 BFAARN CCn1nc(C)c2ncnc(NC3CCCC3)c21 ZINC000057280056 172249362 /nfs/dbraw/zinc/24/93/62/172249362.db2.gz AFQOQADIFYDCHR-UHFFFAOYSA-N 0 0 245.330 2.509 50 0 BFAARN CN(C(=O)/C=C\c1ccco1)c1ccccc1 ZINC000012495336 172293554 /nfs/dbraw/zinc/29/35/54/172293554.db2.gz ZJVHYXGLZFZWMM-KTKRTIGZSA-N 0 0 227.263 2.956 50 0 BFAARN CN(C(=O)CC[C@@H]1CCCO1)c1ccccc1 ZINC000040506393 172305284 /nfs/dbraw/zinc/30/52/84/172305284.db2.gz XOALGKAFIJQYDA-ZDUSSCGKSA-N 0 0 233.311 2.609 50 0 BFAARN CN(C(=O)CCc1ccco1)C1CCCC1 ZINC000055542676 172305703 /nfs/dbraw/zinc/30/57/03/172305703.db2.gz SPBITOQEBVWBQJ-UHFFFAOYSA-N 0 0 221.300 2.613 50 0 BFAARN CN(C(=O)Cc1ccccc1)c1ccccc1 ZINC000000029273 172315135 /nfs/dbraw/zinc/31/51/35/172315135.db2.gz XXNXIMQGNHSNGK-UHFFFAOYSA-N 0 0 225.291 2.892 50 0 BFAARN CN(C(=O)NC[C@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000096406272 172320548 /nfs/dbraw/zinc/32/05/48/172320548.db2.gz JVOYSBMXQWTRLV-OCCSQVGLSA-N 0 0 244.338 2.594 50 0 BFAARN CN(C(=O)[C@@H]1CC=CCC1)C1CCCC1 ZINC000032845555 172326002 /nfs/dbraw/zinc/32/60/02/172326002.db2.gz WLJOSPIAXDOJBY-LLVKDONJSA-N 0 0 207.317 2.744 50 0 BFAARN CN(C(=O)c1ccccc1)C1CCCC1 ZINC000020460656 172342690 /nfs/dbraw/zinc/34/26/90/172342690.db2.gz WCCLGXCDZIRGLF-UHFFFAOYSA-N 0 0 203.285 2.701 50 0 BFAARN CN(C)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000048300498 172381842 /nfs/dbraw/zinc/38/18/42/172381842.db2.gz ABSORFWRXQTAOX-UHFFFAOYSA-N 0 0 248.204 2.679 50 0 BFAARN CN(C)C(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000095401796 172388034 /nfs/dbraw/zinc/38/80/34/172388034.db2.gz PBUYQFSCVOYPME-UHFFFAOYSA-N 0 0 232.258 2.523 50 0 BFAARN CN(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000012908219 172388791 /nfs/dbraw/zinc/38/87/91/172388791.db2.gz LKUUBZGOOXIEOA-UHFFFAOYSA-N 0 0 222.675 2.523 50 0 BFAARN CN(C)C(=O)c1ccc(-c2ccccc2O)cc1 ZINC000065340090 172388805 /nfs/dbraw/zinc/38/88/05/172388805.db2.gz VCUASWZYBCNILL-UHFFFAOYSA-N 0 0 241.290 2.761 50 0 BFAARN CN(C)C(=O)c1cccc(Oc2ccccc2)n1 ZINC000071782507 172392225 /nfs/dbraw/zinc/39/22/25/172392225.db2.gz VZFSLBULSUSCAX-UHFFFAOYSA-N 0 0 242.278 2.576 50 0 BFAARN CN(C)c1ccc([C@@H](O)c2ccccc2)cc1 ZINC000001594497 172558999 /nfs/dbraw/zinc/55/89/99/172558999.db2.gz ZCFIOPJQDOOQQE-HNNXBMFYSA-N 0 0 227.307 2.834 50 0 BFAARN CN(C)c1ccc2c(c1)[C@H](O)c1ccccc1-2 ZINC000000398917 172562508 /nfs/dbraw/zinc/56/25/08/172562508.db2.gz MSIXALXXSRXADA-OAHLLOKOSA-N 0 0 225.291 2.815 50 0 BFAARN CN(C)c1ccccc1NC(=O)NC1CCCC1 ZINC000044082285 172570855 /nfs/dbraw/zinc/57/08/55/172570855.db2.gz XZINWCTTWOCLEW-UHFFFAOYSA-N 0 0 247.342 2.817 50 0 BFAARN CN(Cc1ccccc1Cl)C(=O)NC1CC1 ZINC000012915332 172876126 /nfs/dbraw/zinc/87/61/26/172876126.db2.gz DMIMNMZLPUJHBL-UHFFFAOYSA-N 0 0 238.718 2.644 50 0 BFAARN CN(Cc1cscn1)c1ccc(Cl)cn1 ZINC000090345371 172923677 /nfs/dbraw/zinc/92/36/77/172923677.db2.gz PUODWJIOFSWVDC-UHFFFAOYSA-N 0 0 239.731 2.828 50 0 BFAARN CN1C(=O)C[C@H]2c3ccccc3O[C@@]13CCC[C@H]23 ZINC000004784093 172966788 /nfs/dbraw/zinc/96/67/88/172966788.db2.gz WCHBGJWZFJETEI-YWPYICTPSA-N 0 0 243.306 2.521 50 0 BFAARN CNC(=O)CCc1ccc2ccccc2c1 ZINC000048693626 173263566 /nfs/dbraw/zinc/26/35/66/173263566.db2.gz GRHYBFVRZHUOCW-UHFFFAOYSA-N 0 0 213.280 2.518 50 0 BFAARN CNC(=O)Cc1ccsc1-c1ccccc1 ZINC000075259914 173283690 /nfs/dbraw/zinc/28/36/90/173283690.db2.gz NLBXONSEQZTLBY-UHFFFAOYSA-N 0 0 231.320 2.704 50 0 BFAARN CNC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000058441294 173284867 /nfs/dbraw/zinc/28/48/67/173284867.db2.gz CSCWYUXCXRPSDF-NSHDSACASA-N 0 0 232.327 2.627 50 0 BFAARN CNC(=O)Oc1cccc2ccccc21 ZINC000000001090 173293343 /nfs/dbraw/zinc/29/33/43/173293343.db2.gz CVXBEEMKQHEXEN-UHFFFAOYSA-N 0 0 201.225 2.558 50 0 in-man BFAARN CNC(=O)Sc1ccc(Cl)cc1 ZINC000000401790 173293694 /nfs/dbraw/zinc/29/36/94/173293694.db2.gz WJACIPICDGLBKG-UHFFFAOYSA-N 0 0 201.678 2.772 50 0 BFAARN CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000014166157 173295893 /nfs/dbraw/zinc/29/58/93/173295893.db2.gz PQHUHKQMIADTTD-SSDOTTSWSA-N 0 0 229.732 2.567 50 0 BFAARN CNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000089385867 173300453 /nfs/dbraw/zinc/30/04/53/173300453.db2.gz MYUSZFSTDNYXDC-DTWKUNHWSA-N 0 0 243.228 2.555 50 0 BFAARN CNC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000014166160 173304287 /nfs/dbraw/zinc/30/42/87/173304287.db2.gz PQHUHKQMIADTTD-ZETCQYMHSA-N 0 0 229.732 2.567 50 0 BFAARN CNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000089385864 173308042 /nfs/dbraw/zinc/30/80/42/173308042.db2.gz MYUSZFSTDNYXDC-BDAKNGLRSA-N 0 0 243.228 2.555 50 0 BFAARN CNC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000096491021 173310535 /nfs/dbraw/zinc/31/05/35/173310535.db2.gz BQZMWFVDCLPNFX-UHFFFAOYSA-N 0 0 237.608 2.718 50 0 BFAARN CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000023641755 173311417 /nfs/dbraw/zinc/31/14/17/173311417.db2.gz ZMEAGHDBYFXGRE-UHFFFAOYSA-N 0 0 245.253 2.978 50 0 BFAARN CNC(=O)c1sc2ccccc2c1Cl ZINC000000342743 173314886 /nfs/dbraw/zinc/31/48/86/173314886.db2.gz IPIPFRQNWBMZKL-UHFFFAOYSA-N 0 0 225.700 2.914 50 0 BFAARN CNC(=O)c1oc2ccc(Cl)cc2c1C ZINC000009603790 173315355 /nfs/dbraw/zinc/31/53/55/173315355.db2.gz YBENRRNONQWGRN-UHFFFAOYSA-N 0 0 223.659 2.754 50 0 BFAARN CNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000000365961 173316847 /nfs/dbraw/zinc/31/68/47/173316847.db2.gz ICRGGQAUGWSVOX-UHFFFAOYSA-N 0 0 234.246 2.622 50 0 BFAARN CNC(=S)SCCOc1cccc(C)c1 ZINC000002309478 173317028 /nfs/dbraw/zinc/31/70/28/173317028.db2.gz YCQQTBFVLYWQKP-UHFFFAOYSA-N 0 0 241.381 2.611 50 0 BFAARN COC(=O)CCSCc1ccccc1C ZINC000016970808 173564869 /nfs/dbraw/zinc/56/48/69/173564869.db2.gz HYXZITPRKSJPJJ-UHFFFAOYSA-N 0 0 224.325 2.791 50 0 BFAARN COC(=O)CSc1nc2ccccc2s1 ZINC000000210261 173617674 /nfs/dbraw/zinc/61/76/74/173617674.db2.gz FJIFGGQHUVANGE-UHFFFAOYSA-N 0 0 239.321 2.561 50 0 BFAARN COC(=O)Cc1cccc(Cl)c1Cl ZINC000002526836 173642833 /nfs/dbraw/zinc/64/28/33/173642833.db2.gz XUMYFVFSYKMRDF-UHFFFAOYSA-N 0 0 219.067 2.709 50 0 BFAARN COC(=O)N(C)c1ccc(OC(C)C)cc1 ZINC000095416388 173648784 /nfs/dbraw/zinc/64/87/84/173648784.db2.gz STIARMSEBVTEQA-UHFFFAOYSA-N 0 0 223.272 2.676 50 0 BFAARN COC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000004917604 173846399 /nfs/dbraw/zinc/84/63/99/173846399.db2.gz LWOHMJBVZWMYON-UHFFFAOYSA-N 0 0 227.263 2.510 50 0 BFAARN COC(=O)c1cnc(C(F)(F)F)cc1Cl ZINC000094986240 173906642 /nfs/dbraw/zinc/90/66/42/173906642.db2.gz JRWLVIZDSQIWTD-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN COC(=O)c1cc2ccc(F)cc2s1 ZINC000078210766 173864931 /nfs/dbraw/zinc/86/49/31/173864931.db2.gz SQPXPMLXQVWORI-UHFFFAOYSA-N 0 0 210.229 2.827 50 0 BFAARN COC(=O)c1ccc(-c2ccccn2)s1 ZINC000000125314 173866063 /nfs/dbraw/zinc/86/60/63/173866063.db2.gz WFJYHWUNVCDIOW-UHFFFAOYSA-N 0 0 219.265 2.597 50 0 BFAARN COC(=O)c1ccc(CNc2ccccc2)o1 ZINC000012404576 173878993 /nfs/dbraw/zinc/87/89/93/173878993.db2.gz LLABZWGUDALVPM-UHFFFAOYSA-N 0 0 231.251 2.678 50 0 BFAARN COC(=O)c1ccc(COc2ccccc2C)o1 ZINC000002738002 173879210 /nfs/dbraw/zinc/87/92/10/173879210.db2.gz IXMASBUGINHXBH-UHFFFAOYSA-N 0 0 246.262 2.954 50 0 BFAARN COC(=O)c1ccc2cc(Cl)ncc2c1 ZINC000095836385 173891973 /nfs/dbraw/zinc/89/19/73/173891973.db2.gz ZBUNATVELTUCEY-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN COC(=O)c1cccc(-c2cncc(OC)c2)c1 ZINC000085210081 173892721 /nfs/dbraw/zinc/89/27/21/173892721.db2.gz CQXFMTADGDSFSW-UHFFFAOYSA-N 0 0 243.262 2.544 50 0 BFAARN COC(=O)c1cccc(-c2ccccc2CO)c1 ZINC000001256828 173893070 /nfs/dbraw/zinc/89/30/70/173893070.db2.gz AZAODVJMGMUVTD-UHFFFAOYSA-N 0 0 242.274 2.633 50 0 BFAARN COCC(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000073853984 174058624 /nfs/dbraw/zinc/05/86/24/174058624.db2.gz HOWIPNREGUFWQE-UHFFFAOYSA-N 0 0 247.216 2.599 50 0 BFAARN COCCCCCS[C@@H]1CCCOC1 ZINC000096001699 174185538 /nfs/dbraw/zinc/18/55/38/174185538.db2.gz KROSJQSHADMLAM-LLVKDONJSA-N 0 0 218.362 2.715 50 0 BFAARN COCCCNc1cc(-c2ccccc2)ncn1 ZINC000002611561 174250993 /nfs/dbraw/zinc/25/09/93/174250993.db2.gz ODXSLOPMKDJHDB-UHFFFAOYSA-N 0 0 243.310 2.592 50 0 BFAARN COCCNc1cc(C)c2cccc(OC)c2n1 ZINC000023634185 174341178 /nfs/dbraw/zinc/34/11/78/174341178.db2.gz VYMTXMKWYZWPRQ-UHFFFAOYSA-N 0 0 246.310 2.610 50 0 BFAARN COCCNc1cccc(C(F)(F)F)c1 ZINC000002275233 174341567 /nfs/dbraw/zinc/34/15/67/174341567.db2.gz MVNXUOUAQAJFMX-UHFFFAOYSA-N 0 0 219.206 2.764 50 0 BFAARN COCCOC(=O)Nc1ccccc1Cl ZINC000002171519 174343561 /nfs/dbraw/zinc/34/35/61/174343561.db2.gz OLAWLNZSIDYWCL-UHFFFAOYSA-N 0 0 229.663 2.535 50 0 BFAARN COCCOc1ccc(Br)cc1F ZINC000065337266 174367338 /nfs/dbraw/zinc/36/73/38/174367338.db2.gz YYDUGTYDKJLBOO-UHFFFAOYSA-N 0 0 249.079 2.613 50 0 BFAARN COCCSCc1ccc(-n2ccnc2)cc1 ZINC000095406541 174376884 /nfs/dbraw/zinc/37/68/84/174376884.db2.gz IKMTTXBIZXFDOC-UHFFFAOYSA-N 0 0 248.351 2.752 50 0 BFAARN COCCc1ccc(-c2csc(N)n2)cc1 ZINC000003888649 174421927 /nfs/dbraw/zinc/42/19/27/174421927.db2.gz JPWSVAAHDJPCKU-UHFFFAOYSA-N 0 0 234.324 2.581 50 0 BFAARN COC[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000031679 174456322 /nfs/dbraw/zinc/45/63/22/174456322.db2.gz ANRVIHFQWAMHSD-LLVKDONJSA-N 0 0 249.354 2.749 50 0 BFAARN CON(C)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000072614800 174658678 /nfs/dbraw/zinc/65/86/78/174658678.db2.gz YXCBGEFBVNJIJB-UHFFFAOYSA-N 0 0 249.241 2.719 50 0 BFAARN CO[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000048340800 174808068 /nfs/dbraw/zinc/80/80/68/174808068.db2.gz GVHSHIRARCYXJJ-MRVPVSSYSA-N 0 0 227.691 2.622 50 0 BFAARN COc1cc(Cl)nc(-c2ccccc2)n1 ZINC000000343503 174990978 /nfs/dbraw/zinc/99/09/78/174990978.db2.gz FBTGOHDLYMJRQB-UHFFFAOYSA-N 0 0 220.659 2.806 50 0 BFAARN COc1cc(NCc2ccc(C)c(F)c2)ncn1 ZINC000095971339 175003796 /nfs/dbraw/zinc/00/37/96/175003796.db2.gz GASRAFFZFRSDJQ-UHFFFAOYSA-N 0 0 247.273 2.545 50 0 BFAARN COc1cc(O)cc2c1-c1ccc(O)cc1CC2 ZINC000014651078 175005305 /nfs/dbraw/zinc/00/53/05/175005305.db2.gz OPPGAHUCKDKQJR-UHFFFAOYSA-N 0 0 242.274 2.872 50 0 biogenic,in-vitro BFAARN COc1cc(SC)ccc1C(=O)NC(C)C ZINC000000030536 175012878 /nfs/dbraw/zinc/01/28/78/175012878.db2.gz UFUJQWNPKJAKMR-UHFFFAOYSA-N 0 0 239.340 2.555 50 0 BFAARN COc1cc2c(Cl)cc[nH]c-2cc1=O ZINC000066331922 175019537 /nfs/dbraw/zinc/01/95/37/175019537.db2.gz NKWZPFHSWLSOON-UHFFFAOYSA-N 0 0 209.632 2.602 50 0 BFAARN COc1cc2nccc(Cl)c2cc1OC ZINC000006483921 175027939 /nfs/dbraw/zinc/02/79/39/175027939.db2.gz WRVHQEYBCDPZEU-UHFFFAOYSA-N 0 0 223.659 2.905 50 0 BFAARN COc1ccc(-c2cc(C(C)(C)O)on2)cc1 ZINC000004344109 175030556 /nfs/dbraw/zinc/03/05/56/175030556.db2.gz YTRUYUMIQVLDSI-UHFFFAOYSA-N 0 0 233.267 2.578 50 0 BFAARN COc1ccc(-c2ccc(F)nc2)cc1 ZINC000016158970 175033705 /nfs/dbraw/zinc/03/37/05/175033705.db2.gz IADFLNQUJBKKSE-UHFFFAOYSA-N 0 0 203.216 2.896 50 0 BFAARN COc1ccc(-c2ccccc2C(N)=O)c(C)c1 ZINC000067805952 175035354 /nfs/dbraw/zinc/03/53/54/175035354.db2.gz VBJSVJFZCSQJDP-UHFFFAOYSA-N 0 0 241.290 2.770 50 0 BFAARN COc1ccc(-c2ccncc2)cc1F ZINC000038276511 175036245 /nfs/dbraw/zinc/03/62/45/175036245.db2.gz SSQRKGMAMVYKQY-UHFFFAOYSA-N 0 0 203.216 2.896 50 0 BFAARN COc1ccc(-c2cnc3ccccc3c2)nn1 ZINC000096149909 175036927 /nfs/dbraw/zinc/03/69/27/175036927.db2.gz UCVIWATVEWLDGA-UHFFFAOYSA-N 0 0 237.262 2.700 50 0 BFAARN COc1ccc(-c2csc(N)n2)cc1C ZINC000000351802 175038106 /nfs/dbraw/zinc/03/81/06/175038106.db2.gz LSSLSLIGEXNGHL-UHFFFAOYSA-N 0 0 220.297 2.709 50 0 BFAARN COc1ccc(-c2ncnc3sccc32)cn1 ZINC000032520394 175041166 /nfs/dbraw/zinc/04/11/66/175041166.db2.gz BPRUQYZNNXOAKL-UHFFFAOYSA-N 0 0 243.291 2.762 50 0 BFAARN COc1ccc(-c2noc(C(C)(C)OC)n2)cc1 ZINC000170608359 175042618 /nfs/dbraw/zinc/04/26/18/175042618.db2.gz IGHGVXCXQUYGCQ-UHFFFAOYSA-N 0 0 248.282 2.627 50 0 BFAARN COc1ccc(-c2noc(C)c2C(C)=O)cc1 ZINC000038236857 175042801 /nfs/dbraw/zinc/04/28/01/175042801.db2.gz KNNSHHIGZKTGHM-UHFFFAOYSA-N 0 0 231.251 2.861 50 0 BFAARN COc1ccc(C(=O)NC2CCCC2)cc1F ZINC000007134354 175058245 /nfs/dbraw/zinc/05/82/45/175058245.db2.gz VKAGEUAWJPAILU-UHFFFAOYSA-N 0 0 237.274 2.507 50 0 BFAARN C=CC(=O)N1CCC[C@H]1c1cccc(OC)c1 ZINC000037829551 487629588 /nfs/dbraw/zinc/62/95/88/487629588.db2.gz AZRYKLSURDMFOQ-ZDUSSCGKSA-N 0 0 231.295 2.545 50 0 BFAARN COc1ccc(C(=O)c2ccc(C)cn2)cc1 ZINC000045028527 175066243 /nfs/dbraw/zinc/06/62/43/175066243.db2.gz GAMRAUGPZHNBHD-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1ccc(C(=O)c2ccsc2)cc1 ZINC000034333091 175066692 /nfs/dbraw/zinc/06/66/92/175066692.db2.gz KRAFKJLSLUZFSZ-UHFFFAOYSA-N 0 0 218.277 2.988 50 0 BFAARN COc1ccc(C(F)(F)F)cc1C(C)=O ZINC000038529712 175069827 /nfs/dbraw/zinc/06/98/27/175069827.db2.gz FPJNPSGNLVIBBS-UHFFFAOYSA-N 0 0 218.174 2.917 50 0 BFAARN COc1ccc(C)cc1C(=O)C(F)(F)F ZINC000002579830 175073249 /nfs/dbraw/zinc/07/32/49/175073249.db2.gz ZZQJGWYNTSMOMY-UHFFFAOYSA-N 0 0 218.174 2.749 50 0 BFAARN COc1ccc(NC(=C[N+](=O)[O-])SC)cc1 ZINC000100539428 175138334 /nfs/dbraw/zinc/13/83/34/175138334.db2.gz KTGOPTAYWAHLCN-YFHOEESVSA-N 0 0 240.284 2.546 50 0 BFAARN COc1ccc(NC(=O)C2CCCC2)c(OC)c1 ZINC000000995000 175140333 /nfs/dbraw/zinc/14/03/33/175140333.db2.gz UYXRBMNDTGPRCQ-UHFFFAOYSA-N 0 0 249.310 2.833 50 0 BFAARN COc1ccc(NC(=O)CC2CCCCC2)cn1 ZINC000026566157 175141203 /nfs/dbraw/zinc/14/12/03/175141203.db2.gz XDULWLONPNBURG-UHFFFAOYSA-N 0 0 248.326 2.999 50 0 BFAARN COc1ccc(NC(=O)Nc2cc(C)on2)cc1 ZINC000006731398 175144160 /nfs/dbraw/zinc/14/41/60/175144160.db2.gz IFLQTZIPWLCZOG-UHFFFAOYSA-N 0 0 247.254 2.636 50 0 BFAARN COc1ccc(NC(=O)Nc2ccccn2)cc1 ZINC000003191065 175144807 /nfs/dbraw/zinc/14/48/07/175144807.db2.gz YPMUEPXTZYIYQT-UHFFFAOYSA-N 0 0 243.266 2.734 50 0 BFAARN COc1ccc(NC(=O)c2ccoc2)c(OC)c1 ZINC000009497484 175147868 /nfs/dbraw/zinc/14/78/68/175147868.db2.gz YFHDUIKXWPOAAO-UHFFFAOYSA-N 0 0 247.250 2.549 50 0 BFAARN COc1ccc(NC(=O)c2noc(C)c2C)cc1 ZINC000013641082 175148146 /nfs/dbraw/zinc/14/81/46/175148146.db2.gz MZIDELKBYJHACN-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1ccc(NC(C)=O)cc1OC1CCCC1 ZINC000031225136 175148325 /nfs/dbraw/zinc/14/83/25/175148325.db2.gz HCGTZVRLESBMCI-UHFFFAOYSA-N 0 0 249.310 2.975 50 0 BFAARN COc1ccc(NC[C@H]2CCCO2)cc1Cl ZINC000020041166 175152083 /nfs/dbraw/zinc/15/20/83/175152083.db2.gz RFQNEKFLYMSVJL-SNVBAGLBSA-N 0 0 241.718 2.940 50 0 BFAARN COc1ccc(Nc2cc(Cl)ncn2)cc1 ZINC000040422326 175156143 /nfs/dbraw/zinc/15/61/43/175156143.db2.gz LRIFEKYQZZHNMN-UHFFFAOYSA-N 0 0 235.674 2.882 50 0 BFAARN COc1ccc(Oc2ccccn2)cc1 ZINC000035904703 175173703 /nfs/dbraw/zinc/17/37/03/175173703.db2.gz SVGHZNXEHFPGSF-UHFFFAOYSA-N 0 0 201.225 2.883 50 0 BFAARN COc1ccc([C@H](O)c2ccccc2)cc1OC ZINC000004255541 175193854 /nfs/dbraw/zinc/19/38/54/175193854.db2.gz YUSIFTKKBCLPAD-OAHLLOKOSA-N 0 0 244.290 2.786 50 0 BFAARN COc1ccc2[nH]c3c(c2c1)CCCC3=O ZINC000003684570 175202305 /nfs/dbraw/zinc/20/23/05/175202305.db2.gz JEPVUVSCDRJVCQ-UHFFFAOYSA-N 0 0 215.252 2.696 50 0 biogenic BFAARN COc1ccc2c(C)[nH]c(=S)nc2c1 ZINC000006059507 175203917 /nfs/dbraw/zinc/20/39/17/175203917.db2.gz LFJZGNJUJVFXSQ-UHFFFAOYSA-N 0 0 206.270 2.609 50 0 BFAARN COc1ccc2c3c1cccc3C(=O)CC2 ZINC000000068718 175224137 /nfs/dbraw/zinc/22/41/37/175224137.db2.gz GIMNHZUOPYYVRA-UHFFFAOYSA-N 0 0 212.248 2.977 50 0 in-vitro BFAARN COc1ccc2oc(C(F)(F)F)cc(=O)c2c1 ZINC000000112301 175231012 /nfs/dbraw/zinc/23/10/12/175231012.db2.gz ISEHAGBHPLTWSM-UHFFFAOYSA-N 0 0 244.168 2.820 50 0 BFAARN COc1cccc(-c2n[nH]c3c2CCC3)c1 ZINC000004002568 175232342 /nfs/dbraw/zinc/23/23/42/175232342.db2.gz SZINELHOCJUWLD-UHFFFAOYSA-N 0 0 214.268 2.574 50 0 BFAARN COc1cccc(-c2ccc(C(=O)N(C)C)o2)c1 ZINC000064551495 175234189 /nfs/dbraw/zinc/23/41/89/175234189.db2.gz BLDOGWYHLOVVJI-UHFFFAOYSA-N 0 0 245.278 2.657 50 0 BFAARN COc1cccc(C(=O)Nc2cccc(N)c2)c1 ZINC000000617173 175246537 /nfs/dbraw/zinc/24/65/37/175246537.db2.gz VPFJFYKNXWHWKK-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1cccc(CNc2cc(C)on2)c1 ZINC000083349312 175268451 /nfs/dbraw/zinc/26/84/51/175268451.db2.gz KADWWIRRRSBVHO-UHFFFAOYSA-N 0 0 218.256 2.604 50 0 BFAARN COc1cccc(CNc2ccnc(Cl)n2)c1 ZINC000038579788 175268782 /nfs/dbraw/zinc/26/87/82/175268782.db2.gz WXQASGAEKIKJDM-UHFFFAOYSA-N 0 0 249.701 2.751 50 0 BFAARN COc1cccc(Cn2cnc(C)c2C)c1 ZINC000072282496 175273366 /nfs/dbraw/zinc/27/33/66/175273366.db2.gz CHAWMPIFRYOVCA-UHFFFAOYSA-N 0 0 216.284 2.557 50 0 BFAARN COc1cccc(F)c1-c1c[nH]c(C)n1 ZINC000065527156 175273858 /nfs/dbraw/zinc/27/38/58/175273858.db2.gz COQLACWJTKDIBT-UHFFFAOYSA-N 0 0 206.220 2.533 50 0 BFAARN COc1cccc(NC(=O)OCC(F)(F)F)c1 ZINC000008981478 175277191 /nfs/dbraw/zinc/27/71/91/175277191.db2.gz KIXJMZBMMCSAIN-UHFFFAOYSA-N 0 0 249.188 2.806 50 0 BFAARN COc1cccc([C@@H](O)c2ccccc2)c1OC ZINC000039439127 175289411 /nfs/dbraw/zinc/28/94/11/175289411.db2.gz KLNMGGVOXOVIBX-AWEZNQCLSA-N 0 0 244.290 2.786 50 0 BFAARN COc1cccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000005696404 175292625 /nfs/dbraw/zinc/29/26/25/175292625.db2.gz CXLVKRUTZUTCPU-GBIKHYSHSA-N 0 0 233.311 2.528 50 0 BFAARN COc1cccc([C@H](O)c2ccccc2)c1OC ZINC000039439126 175294913 /nfs/dbraw/zinc/29/49/13/175294913.db2.gz KLNMGGVOXOVIBX-CQSZACIVSA-N 0 0 244.290 2.786 50 0 BFAARN COc1cccc([C@H]2CC(=O)Nc3n[nH]cc32)c1 ZINC000020731095 175295516 /nfs/dbraw/zinc/29/55/16/175295516.db2.gz GBGKEWVMWRRXFB-SNVBAGLBSA-N 0 0 243.266 2.542 50 0 BFAARN COc1cccc2nc(Cl)nc(Cl)c21 ZINC000039206832 175307630 /nfs/dbraw/zinc/30/76/30/175307630.db2.gz CVILQLUABMGXTG-UHFFFAOYSA-N 0 0 229.066 2.945 50 0 BFAARN COc1ccccc1-c1cc(Cl)ncn1 ZINC000026420725 175308975 /nfs/dbraw/zinc/30/89/75/175308975.db2.gz DWDRJPOECQRJDL-UHFFFAOYSA-N 0 0 220.659 2.806 50 0 BFAARN COc1ccccc1/C=C/c1cnccn1 ZINC000006424797 175314946 /nfs/dbraw/zinc/31/49/46/175314946.db2.gz SJLUMZJBWQRCBV-VOTSOKGWSA-N 0 0 212.252 2.656 50 0 BFAARN COc1ccccc1/C=C/c1nc(C)no1 ZINC000005510031 175314955 /nfs/dbraw/zinc/31/49/55/175314955.db2.gz PEDFHEMERHLMFM-BQYQJAHWSA-N 0 0 216.240 2.557 50 0 BFAARN COc1ccccc1C(=O)CN1CCCC[C@H]1C ZINC000003306961 175316635 /nfs/dbraw/zinc/31/66/35/175316635.db2.gz TXWVZQXYORSYJV-GFCCVEGCSA-N 0 0 247.338 2.752 50 0 BFAARN COc1ccccc1C(=O)Nc1cccc(O)c1 ZINC000000351306 175319031 /nfs/dbraw/zinc/31/90/31/175319031.db2.gz ZQBIFXVCQZTASX-UHFFFAOYSA-N 0 0 243.262 2.653 50 0 BFAARN COc1ccccc1C(=O)Nc1cccc(N)c1 ZINC000000354592 175319175 /nfs/dbraw/zinc/31/91/75/175319175.db2.gz CRADUZBGCRYWQX-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1ccccc1CCC(=O)C1CC1 ZINC000043212103 175321412 /nfs/dbraw/zinc/32/14/12/175321412.db2.gz JSJAOBADZGAESM-UHFFFAOYSA-N 0 0 204.269 2.607 50 0 BFAARN COc1ccccc1CNC(=O)C[C@@H]1C=CCC1 ZINC000008136314 175328961 /nfs/dbraw/zinc/32/89/61/175328961.db2.gz NBOIGXZURBHSAT-GFCCVEGCSA-N 0 0 245.322 2.668 50 0 BFAARN COc1ccccc1Nc1ccc(N)cc1N ZINC000066153307 175339523 /nfs/dbraw/zinc/33/95/23/175339523.db2.gz FYQMOESVDKRGRT-UHFFFAOYSA-N 0 0 229.283 2.603 50 0 BFAARN COc1ccccc1S(=O)(=O)c1ccccc1 ZINC000032299911 175343752 /nfs/dbraw/zinc/34/37/52/175343752.db2.gz SQIYLIOQZJPFEL-UHFFFAOYSA-N 0 0 248.303 2.528 50 0 BFAARN COc1ccnc(-c2cccc(N(C)C)c2)c1 ZINC000096132834 175357095 /nfs/dbraw/zinc/35/70/95/175357095.db2.gz NKSXSGJZLWKWDJ-UHFFFAOYSA-N 0 0 228.295 2.823 50 0 BFAARN COc1ccnc(Nc2ccc(C)cc2)n1 ZINC000004247450 175368336 /nfs/dbraw/zinc/36/83/36/175368336.db2.gz VRPKGXPMZPVYQR-UHFFFAOYSA-N 0 0 215.256 2.537 50 0 BFAARN COc1cncc(-c2cnc3ccccc3n2)c1 ZINC000032561724 175382507 /nfs/dbraw/zinc/38/25/07/175382507.db2.gz MQUMDRPKFCEIJV-UHFFFAOYSA-N 0 0 237.262 2.700 50 0 BFAARN COc1cncc(-c2ccnc3[nH]ccc32)c1 ZINC000072123871 175382685 /nfs/dbraw/zinc/38/26/85/175382685.db2.gz VNIYMFDYEIBJEN-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN COc1cnc2c(ccn2C(=O)OC(C)(C)C)c1 ZINC000014401052 175382735 /nfs/dbraw/zinc/38/27/35/175382735.db2.gz VHFWDIPVJZAJHB-UHFFFAOYSA-N 0 0 248.282 2.828 50 0 BFAARN COc1ncc(-c2cc(F)ccc2C)c(OC)n1 ZINC000065461575 175397246 /nfs/dbraw/zinc/39/72/46/175397246.db2.gz DKJTUSQTLCOTHP-UHFFFAOYSA-N 0 0 248.257 2.608 50 0 BFAARN CS[C@@H](C)C(=O)N(C)Cc1sccc1C ZINC000042848127 175534616 /nfs/dbraw/zinc/53/46/16/175534616.db2.gz AGUINXCCNBGPQM-VIFPVBQESA-N 0 0 243.397 2.766 50 0 BFAARN CS[C@@H](C)CNC(=O)Nc1cccc(F)c1 ZINC000089901158 175543084 /nfs/dbraw/zinc/54/30/84/175543084.db2.gz VWZNOGUQNXCLPV-QMMMGPOBSA-N 0 0 242.319 2.699 50 0 BFAARN CS[C@@H]1CC[C@H](Nc2nc(C)cnc2C)C1 ZINC000195563871 175552170 /nfs/dbraw/zinc/55/21/70/175552170.db2.gz PVYSCYILDKTKRE-WDEREUQCSA-N 0 0 237.372 2.789 50 0 BFAARN CSc1cccc(NC(=S)N(C)C)c1 ZINC000000611626 175580742 /nfs/dbraw/zinc/58/07/42/175580742.db2.gz WZZFYSVFEKTMOD-UHFFFAOYSA-N 0 0 226.370 2.667 50 0 BFAARN CSc1nc2ccccc2cc1C=O ZINC000000163169 175590013 /nfs/dbraw/zinc/59/00/13/175590013.db2.gz CPVCVAVEXFRUFB-UHFFFAOYSA-N 0 0 203.266 2.769 50 0 BFAARN CSc1nc2ccccc2c(=O)n1C(C)C ZINC000007236920 175590180 /nfs/dbraw/zinc/59/01/80/175590180.db2.gz BZXFPKZITFPKJV-UHFFFAOYSA-N 0 0 234.324 2.699 50 0 BFAARN C[C@@H](O)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000040410247 176000555 /nfs/dbraw/zinc/00/05/55/176000555.db2.gz BRURGSKWINBYTO-ZCFIWIBFSA-N 0 0 244.216 2.645 50 0 BFAARN C[C@@H](OC(=O)COC(C)(C)C)c1ccccn1 ZINC000095465921 176001372 /nfs/dbraw/zinc/00/13/72/176001372.db2.gz NQEASZDTDPPMHN-SNVBAGLBSA-N 0 0 237.299 2.501 50 0 BFAARN C[C@@H](Oc1ccccc1N)C(F)(F)F ZINC000085421141 176006362 /nfs/dbraw/zinc/00/63/62/176006362.db2.gz IAJZFSCHMAQIEK-ZCFIWIBFSA-N 0 0 205.179 2.598 50 0 BFAARN C[C@@H](c1ccc(CO)cc1)C(F)(F)F ZINC000299805368 176014296 /nfs/dbraw/zinc/01/42/96/176014296.db2.gz KLTPDDQSEXJDEL-ZETCQYMHSA-N 0 0 204.191 2.845 50 0 BFAARN C[C@@H](c1ccncc1)N(C)Cc1cncs1 ZINC000097113679 176035451 /nfs/dbraw/zinc/03/54/51/176035451.db2.gz DKXBQLBYYUMPGF-JTQLQIEISA-N 0 0 233.340 2.731 50 0 BFAARN C[C@@H]1CCCCN1C(=O)C1CCCCC1 ZINC000002748088 176066058 /nfs/dbraw/zinc/06/60/58/176066058.db2.gz MEVAOYUHYHMIBO-LLVKDONJSA-N 0 0 209.333 2.968 50 0 BFAARN C[C@@H]1CCCCN1C(=O)NCc1cccs1 ZINC000048644214 176068054 /nfs/dbraw/zinc/06/80/54/176068054.db2.gz BFUWQXNMZDFXCU-SNVBAGLBSA-N 0 0 238.356 2.832 50 0 BFAARN C[C@@H]1CCCCN1C(=O)c1ccc(F)c(F)c1 ZINC000000444561 176069723 /nfs/dbraw/zinc/06/97/23/176069723.db2.gz QKPHMSFLFGGVDU-SECBINFHSA-N 0 0 239.265 2.979 50 0 BFAARN C[C@@H]1CCCCN1C(=O)c1cccc(F)c1F ZINC000000089599 176069920 /nfs/dbraw/zinc/06/99/20/176069920.db2.gz YBYVIPVNILNOOQ-SECBINFHSA-N 0 0 239.265 2.979 50 0 BFAARN C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccn1 ZINC000043046642 176079839 /nfs/dbraw/zinc/07/98/39/176079839.db2.gz RUGIGKJIFDGPIU-MNOVXSKESA-N 0 0 233.315 2.782 50 0 BFAARN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccccn1 ZINC000032787675 176085148 /nfs/dbraw/zinc/08/51/48/176085148.db2.gz YDVCNRVXMIOIGS-DGCLKSJQSA-N 0 0 232.327 2.732 50 0 BFAARN C[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCCO1 ZINC000046125898 176086299 /nfs/dbraw/zinc/08/62/99/176086299.db2.gz BBQWZIJITHOIIS-FRRDWIJNSA-N 0 0 239.359 2.641 50 0 BFAARN C[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000032747701 176092134 /nfs/dbraw/zinc/09/21/34/176092134.db2.gz PDQUUMDIZMXOOE-VXGBXAGGSA-N 0 0 207.317 2.601 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000012527640 176095440 /nfs/dbraw/zinc/09/54/40/176095440.db2.gz JMLCJWYXSGMCCL-GFCCVEGCSA-N 0 0 246.354 2.625 50 0 BFAARN C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000036644455 176099333 /nfs/dbraw/zinc/09/93/33/176099333.db2.gz WKWQQYZEOKAZRA-SECBINFHSA-N 0 0 239.340 2.678 50 0 BFAARN C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H](C)C1 ZINC000195660773 176103350 /nfs/dbraw/zinc/10/33/50/176103350.db2.gz CGMAYWKBUIMRMM-NXEZZACHSA-N 0 0 235.331 2.740 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)COc2ccccc2)C1 ZINC000000406708 176121980 /nfs/dbraw/zinc/12/19/80/176121980.db2.gz JBWQWECAMPHZCG-CHWSQXEVSA-N 0 0 247.338 2.760 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccco2)[C@@H]1C ZINC000006468255 176122807 /nfs/dbraw/zinc/12/28/07/176122807.db2.gz RZGCUTGKLOKALL-GMTAPVOTSA-N 0 0 221.300 2.834 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)NCC2CC2)[C@@H]1C ZINC000127918550 176141629 /nfs/dbraw/zinc/14/16/29/176141629.db2.gz DJSSVJKLIDNHMN-FOGDFJRCSA-N 0 0 224.348 2.520 50 0 BFAARN C[C@@H]1C[C@@H](SCc2ccccc2)C(=O)O1 ZINC000065576089 176383646 /nfs/dbraw/zinc/38/36/46/176383646.db2.gz OADPXXKPBOQIBJ-MWLCHTKSSA-N 0 0 222.309 2.624 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000012976580 176384657 /nfs/dbraw/zinc/38/46/57/176384657.db2.gz ZWSWWFLJLVFDRG-SKDRFNHKSA-N 0 0 237.730 2.954 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1Cl ZINC000002805955 176386872 /nfs/dbraw/zinc/38/68/72/176386872.db2.gz NMOUSSKELMDEIW-SCZZXKLOSA-N 0 0 223.703 2.612 50 0 BFAARN C[C@@H]1c2cccn2CCN1C(=O)c1ccccc1 ZINC000029378919 176506201 /nfs/dbraw/zinc/50/62/01/176506201.db2.gz UJCHSUGGKHCFNB-GFCCVEGCSA-N 0 0 240.306 2.705 50 0 BFAARN C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCCCC1 ZINC000040584938 176506374 /nfs/dbraw/zinc/50/63/74/176506374.db2.gz SOPJKQLPXWGEQG-BXUZGUMPSA-N 0 0 245.322 2.564 50 0 BFAARN C[C@H](NC(=O)C1CCCCC1)c1ccccn1 ZINC000028781146 176788633 /nfs/dbraw/zinc/78/86/33/176788633.db2.gz WPEPSHQLSXSEMO-NSHDSACASA-N 0 0 232.327 2.839 50 0 BFAARN C[C@H](NC(=O)c1ccoc1)c1cccs1 ZINC000013019605 176821495 /nfs/dbraw/zinc/82/14/95/176821495.db2.gz WAVHKSKIUZGYNJ-QMMMGPOBSA-N 0 0 221.281 2.832 50 0 BFAARN C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000058003582 177003624 /nfs/dbraw/zinc/00/36/24/177003624.db2.gz MHJYFVKQUMFNTH-ZETCQYMHSA-N 0 0 204.191 2.629 50 0 BFAARN C[C@H](O)[C@@H](C)c1ccc2ccccc2n1 ZINC000063039744 177006647 /nfs/dbraw/zinc/00/66/47/177006647.db2.gz LLDUNGXDOXONAX-ZJUUUORDSA-N 0 0 201.269 2.719 50 0 BFAARN C[C@H](O)c1c(F)cc(Br)cc1F ZINC000075852784 177015784 /nfs/dbraw/zinc/01/57/84/177015784.db2.gz UTNQRIXFILAHIG-BYPYZUCNSA-N 0 0 237.043 2.781 50 0 BFAARN C[C@H](O)c1c(Cl)n(C)nc1-c1ccccc1 ZINC000001392057 177016087 /nfs/dbraw/zinc/01/60/87/177016087.db2.gz SNLHRUDQRHIDBN-QMMMGPOBSA-N 0 0 236.702 2.794 50 0 BFAARN C[C@H](O)c1cccc(Br)c1F ZINC000066309199 177017309 /nfs/dbraw/zinc/01/73/09/177017309.db2.gz QFVPIDFXSBXICP-YFKPBYRVSA-N 0 0 219.053 2.642 50 0 BFAARN C[C@H](Oc1cccnc1N)c1ccccc1 ZINC000039279578 177025249 /nfs/dbraw/zinc/02/52/49/177025249.db2.gz PPDXZQYCEONNNJ-JTQLQIEISA-N 0 0 214.268 2.804 50 0 BFAARN C[C@H](SC(F)(F)F)C(=O)N1CCCCC1 ZINC000040513817 177026420 /nfs/dbraw/zinc/02/64/20/177026420.db2.gz DYELGXBEEXNYKQ-ZETCQYMHSA-N 0 0 241.278 2.640 50 0 BFAARN C[C@H](c1nnc(-c2cccs2)o1)N1CCCC1 ZINC000069369652 177054164 /nfs/dbraw/zinc/05/41/64/177054164.db2.gz OFGYISGUABSOCC-SECBINFHSA-N 0 0 249.339 2.955 50 0 BFAARN C[C@H]1CCCCN1C(=O)Cc1cccs1 ZINC000000450269 177072091 /nfs/dbraw/zinc/07/20/91/177072091.db2.gz PJBODDJXBCIVCU-JTQLQIEISA-N 0 0 223.341 2.692 50 0 BFAARN C[C@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC000032747825 177072518 /nfs/dbraw/zinc/07/25/18/177072518.db2.gz DFGIGHKLPCHAPB-NWDGAFQWSA-N 0 0 207.317 2.744 50 0 BFAARN C[C@H]1CCCCN1C(=O)c1cc(Cl)ccn1 ZINC000034937671 177073852 /nfs/dbraw/zinc/07/38/52/177073852.db2.gz TUBXNIABKOGNHN-VIFPVBQESA-N 0 0 238.718 2.750 50 0 BFAARN C[C@H]1CCCCN1C(=O)c1ccccc1F ZINC000000304531 177074182 /nfs/dbraw/zinc/07/41/82/177074182.db2.gz IIWANWHRNWXCRK-JTQLQIEISA-N 0 0 221.275 2.840 50 0 BFAARN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccco1 ZINC000032787721 177081013 /nfs/dbraw/zinc/08/10/13/177081013.db2.gz VYXBJTIVSBVZOH-QWRGUYRKSA-N 0 0 221.300 2.930 50 0 BFAARN C[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000082319598 177090984 /nfs/dbraw/zinc/09/09/84/177090984.db2.gz YGNHXFMCSOHRIP-NSHDSACASA-N 0 0 209.333 2.825 50 0 BFAARN C[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000000318477 177091039 /nfs/dbraw/zinc/09/10/39/177091039.db2.gz NPXDSRAYXKEXAV-NSHDSACASA-N 0 0 209.333 2.825 50 0 BFAARN C[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000032731161 177095332 /nfs/dbraw/zinc/09/53/32/177095332.db2.gz KRZPIBRRJAQRDI-VIFPVBQESA-N 0 0 209.314 2.620 50 0 BFAARN C[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000000318803 177095597 /nfs/dbraw/zinc/09/55/97/177095597.db2.gz PUWFGBFVUFVYKS-JTQLQIEISA-N 0 0 221.275 2.698 50 0 BFAARN C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1CCCS1 ZINC000073320318 177116276 /nfs/dbraw/zinc/11/62/76/177116276.db2.gz KUICHCGNVMQXBC-AXFHLTTASA-N 0 0 227.373 2.672 50 0 BFAARN C[C@H]1CCC[C@H](C)N1NC(=O)Nc1ccccc1 ZINC000006853245 177132669 /nfs/dbraw/zinc/13/26/69/177132669.db2.gz KVKGVVPJAWATOO-RYUDHWBXSA-N 0 0 247.342 2.986 50 0 BFAARN C[C@H]1CCC[C@H](CSc2nncn2C)C1 ZINC000092199097 177134577 /nfs/dbraw/zinc/13/45/77/177134577.db2.gz JVCPIIVYJIBDRV-UWVGGRQHSA-N 0 0 225.361 2.734 50 0 BFAARN C[C@H]1CCc2nc(NC(=O)C3CC3)sc2C1 ZINC000003264886 177210225 /nfs/dbraw/zinc/21/02/25/177210225.db2.gz FSKSWBHISHRICV-ZETCQYMHSA-N 0 0 236.340 2.616 50 0 BFAARN C[C@H]1CN(C)Cc2cc(Cl)ccc2O1 ZINC000012037697 177238589 /nfs/dbraw/zinc/23/85/89/177238589.db2.gz QUDKNYKJECPHQF-QMMMGPOBSA-N 0 0 211.692 2.553 50 0 BFAARN C[C@@H]1CN(Cc2c(F)cccc2F)C[C@H](C)O1 ZINC000012409106 177260959 /nfs/dbraw/zinc/26/09/59/177260959.db2.gz XEFIXQWGJMEGAL-AOOOYVTPSA-N 0 0 241.281 2.574 50 0 BFAARN C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012341307 177262158 /nfs/dbraw/zinc/26/21/58/177262158.db2.gz KNIIMCBPRMMBRM-PHIMTYICSA-N 0 0 239.746 2.949 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)COc2ccccc2)C1 ZINC000012410442 177310124 /nfs/dbraw/zinc/31/01/24/177310124.db2.gz RPIULTSCBJBBEP-BETUJISGSA-N 0 0 247.338 2.570 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(F)cc2)C1 ZINC000012410437 177312038 /nfs/dbraw/zinc/31/20/38/177312038.db2.gz JGSLWDATJNUNQD-PHIMTYICSA-N 0 0 235.302 2.944 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2F)C1 ZINC000012410435 177312285 /nfs/dbraw/zinc/31/22/85/177312285.db2.gz ISFAADVEKICCHK-PHIMTYICSA-N 0 0 235.302 2.944 50 0 BFAARN C[C@@H]1C[C@H](C)[C@H](C(=O)c2ccccc2)[C@@H](O)C1 ZINC000299804136 177318976 /nfs/dbraw/zinc/31/89/76/177318976.db2.gz BTIYLNMXNFVODF-XWUBHJNHSA-N 0 0 232.323 2.912 50 0 BFAARN C[C@H]1C[C@@H](Sc2ncccc2Cl)C(=O)O1 ZINC000040493679 177338157 /nfs/dbraw/zinc/33/81/57/177338157.db2.gz PXAPMOVMHCGKJK-POYBYMJQSA-N 0 0 243.715 2.531 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1F ZINC000000372136 177341021 /nfs/dbraw/zinc/34/10/21/177341021.db2.gz FQBRESKKJAUMQD-XPUUQOCRSA-N 0 0 211.211 2.559 50 0 BFAARN C[C@H]1C[C@H](C)CN(C(=O)Nc2cccnc2)C1 ZINC000015525026 177357898 /nfs/dbraw/zinc/35/78/98/177357898.db2.gz YVFLTQINSDMSMM-QWRGUYRKSA-N 0 0 233.315 2.591 50 0 BFAARN C[C@H]1C[C@H]1C(=O)N(C)c1nc2ccccc2s1 ZINC000026955960 177376276 /nfs/dbraw/zinc/37/62/76/177376276.db2.gz GXQRXFIDWBAKBZ-DTWKUNHWSA-N 0 0 246.335 2.915 50 0 BFAARN C[C@H]1C[C@H]1C(=O)NCCc1ccccc1Cl ZINC000067084378 177376317 /nfs/dbraw/zinc/37/63/17/177376317.db2.gz UEKGVEDTFXERPX-GXSJLCMTSA-N 0 0 237.730 2.655 50 0 BFAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccccn1 ZINC000020836774 177390618 /nfs/dbraw/zinc/39/06/18/177390618.db2.gz OXKJXUQNSHUJBF-NSHDSACASA-N 0 0 238.290 2.673 50 0 BFAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccoc1 ZINC000036883502 177390901 /nfs/dbraw/zinc/39/09/01/177390901.db2.gz OEFPURVUACOOSG-JTQLQIEISA-N 0 0 227.263 2.871 50 0 BFAARN C[C@H]1Cn2c(nnc2-c2cccs2)S1 ZINC000000105856 177392133 /nfs/dbraw/zinc/39/21/33/177392133.db2.gz RTOPSXMJURBQPL-LURJTMIESA-N 0 0 223.326 2.501 50 0 BFAARN C[C@H]1c2ccsc2CCN1C(=O)NC1CC1 ZINC000048844607 177439533 /nfs/dbraw/zinc/43/95/33/177439533.db2.gz WPVVUCURMCFCPA-QMMMGPOBSA-N 0 0 236.340 2.539 50 0 BFAARN Cc1[nH]c2ccccc2c1C(=O)OCC(F)F ZINC000095947892 177515686 /nfs/dbraw/zinc/51/56/86/177515686.db2.gz OHAYVYHIPGJMJN-UHFFFAOYSA-N 0 0 239.221 2.898 50 0 BFAARN Cc1[nH]c2ccccc2c1[C@H](O)c1ccccn1 ZINC000000071952 177516884 /nfs/dbraw/zinc/51/68/84/177516884.db2.gz FHXILHLUEFRUNP-OAHLLOKOSA-N 0 0 238.290 2.953 50 0 BFAARN Cc1c2ccccc2oc1C(=O)N1CCCC1 ZINC000005446758 177562138 /nfs/dbraw/zinc/56/21/38/177562138.db2.gz BRVUIVIGDPTKIG-UHFFFAOYSA-N 0 0 229.279 2.977 50 0 BFAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCO1 ZINC000000804571 177602413 /nfs/dbraw/zinc/60/24/13/177602413.db2.gz BKWNJEPRFSSIFE-LLVKDONJSA-N 0 0 239.702 2.766 50 0 BFAARN Cc1cc2c[nH]nc2cc1Br ZINC000014985796 262712705 /nfs/dbraw/zinc/71/27/05/262712705.db2.gz YLLZDOJZLKUKEA-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN COC(=O)C1=C(O)C2(CCCCC2)CCCC1 ZINC000043214839 262790195 /nfs/dbraw/zinc/79/01/95/262790195.db2.gz MJZRPNNBPWHNIA-LLVKDONJSA-N 0 0 238.327 2.869 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248512989 487800661 /nfs/dbraw/zinc/80/06/61/487800661.db2.gz CJMCXIVDFYLRQW-PZWNZHSQSA-N 0 0 209.333 2.583 50 0 BFAARN CC(C)=CC(=O)N1CCC[C@H]1c1cc(C)on1 ZINC000044634398 487821494 /nfs/dbraw/zinc/82/14/94/487821494.db2.gz VWIFOSZQDZCKOJ-LBPRGKRZSA-N 0 0 234.299 2.613 50 0 BFAARN COc1ccc(CC(=O)NC2CCCC2)cc1C ZINC000072442488 322952591 /nfs/dbraw/zinc/95/25/91/322952591.db2.gz WJMMRWGRQNZPCH-UHFFFAOYSA-N 0 0 247.338 2.605 50 0 BFAARN CC(C)CSCC(=O)N[C@@H](C)c1ccco1 ZINC000048367353 487903247 /nfs/dbraw/zinc/90/32/47/487903247.db2.gz KARIMIRFBFSKHB-JTQLQIEISA-N 0 0 241.356 2.846 50 0 BFAARN Cc1ccc(/C=C/C(=O)NCc2ccco2)cc1 ZINC000000226927 322809365 /nfs/dbraw/zinc/80/93/65/322809365.db2.gz PRFVTXBSVOKCSW-CMDGGOBGSA-N 0 0 241.290 2.918 50 0 BFAARN CC(=O)N[C@@H](C)c1ccc(-c2c[nH]nc2C)cc1 ZINC000534587369 323154243 /nfs/dbraw/zinc/15/42/43/323154243.db2.gz MKUKPFYAHGMRLF-VIFPVBQESA-N 0 0 243.310 2.582 50 0 BFAARN CC[C@H](C)NC(=O)c1ccc(-c2c[nH]nc2C)o1 ZINC000534633537 323156836 /nfs/dbraw/zinc/15/68/36/323156836.db2.gz CLOGGYYTSWMSFH-QMMMGPOBSA-N 0 0 247.298 2.506 50 0 BFAARN CC(C)[C@@H](NC(=O)c1ccc[nH]1)c1cccnc1 ZINC000534674645 323159084 /nfs/dbraw/zinc/15/90/84/323159084.db2.gz PKHHOJGJFODJCY-CYBMUJFWSA-N 0 0 243.310 2.537 50 0 BFAARN C(=C\c1ccncn1)\c1ccc(-n2cccn2)cc1 ZINC000536575151 323198161 /nfs/dbraw/zinc/19/81/61/323198161.db2.gz GAUOSCCPUQHENE-DJWKRKHSSA-N 0 0 248.289 2.833 50 0 BFAARN Cc1cc(N)cnc1-c1ccc2c(c1)CCOC2 ZINC000530249116 323220097 /nfs/dbraw/zinc/22/00/97/323220097.db2.gz YRYXGMIJNRRSPI-UHFFFAOYSA-N 0 0 240.306 2.712 50 0 BFAARN CCC(=O)Nc1cccc2ccc(O)cc21 ZINC000059562238 324013263 /nfs/dbraw/zinc/01/32/63/324013263.db2.gz DFPNOBYKTMZUIK-UHFFFAOYSA-N 0 0 215.252 2.894 50 0 BFAARN COc1cc(C)nc(NC2CCCCCC2)n1 ZINC000122339505 324039091 /nfs/dbraw/zinc/03/90/91/324039091.db2.gz HQTCRUASDSYVSC-UHFFFAOYSA-N 0 0 235.331 2.928 50 0 BFAARN CC(C)n1cc(NC(=O)[C@H]2CC23CCCC3)cn1 ZINC000567439091 326191336 /nfs/dbraw/zinc/19/13/36/326191336.db2.gz SWYNVXYNRODYOD-GFCCVEGCSA-N 0 0 247.342 2.983 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012935408 488051707 /nfs/dbraw/zinc/05/17/07/488051707.db2.gz QOLBXVOSHWEJAO-SNVBAGLBSA-N 0 0 249.310 2.833 50 0 BFAARN CCCCNc1ccccc1CC(=O)N(C)C ZINC000084744676 488090028 /nfs/dbraw/zinc/09/00/28/488090028.db2.gz BQQVYMNXWSKUME-UHFFFAOYSA-N 0 0 234.343 2.529 50 0 BFAARN Cc1cnc([C@H](C)N2CCC[C@](C)(F)C2)o1 ZINC000336275367 487537464 /nfs/dbraw/zinc/53/74/64/487537464.db2.gz IZUBONNENREMDT-JQWIXIFHSA-N 0 0 226.295 2.868 50 0 BFAARN COCCc1nnc(CCC2CCCCC2)[nH]1 ZINC000670448656 487497796 /nfs/dbraw/zinc/49/77/96/487497796.db2.gz AMPIIELOUZWAPL-UHFFFAOYSA-N 0 0 237.347 2.507 50 0 BFAARN Cc1cnc(C[N@@H+]2CCC3(CCCC3)C2)cn1 ZINC000670460168 487512969 /nfs/dbraw/zinc/51/29/69/487512969.db2.gz XVQREKSOZVFLRP-UHFFFAOYSA-N 0 0 231.343 2.551 50 0 BFAARN CCCn1nc(C)nc1-c1ccc(N(C)C)cc1 ZINC000670456421 487509029 /nfs/dbraw/zinc/50/90/29/487509029.db2.gz SLRQNYCGPDTEDT-UHFFFAOYSA-N 0 0 244.342 2.730 50 0 BFAARN Cc1ccoc1C(=O)N[C@H](C)c1ccc(C)nc1 ZINC000670457949 487510623 /nfs/dbraw/zinc/51/06/23/487510623.db2.gz JEOIGFCRWPJVNB-LLVKDONJSA-N 0 0 244.294 2.782 50 0 BFAARN Cn1cncc1CN1CCCCc2sccc21 ZINC000684771534 488341141 /nfs/dbraw/zinc/34/11/41/488341141.db2.gz DABFHKNTDGEWBM-UHFFFAOYSA-N 0 0 247.367 2.825 50 0 BFAARN CCCn1cc(NC2CC(C(F)F)C2)cn1 ZINC000097162440 490326087 /nfs/dbraw/zinc/32/60/87/490326087.db2.gz WYWHHHPXFQRZHG-UHFFFAOYSA-N 0 0 229.274 2.749 50 0 BFAARN CCC(CC)CNC(=O)c1ccc2nccn2c1 ZINC000084727486 491122416 /nfs/dbraw/zinc/12/24/16/491122416.db2.gz FIFVZTGCHRHXHA-UHFFFAOYSA-N 0 0 245.326 2.500 50 0 BFAARN CC[C@@H](C)C[C@H](C)NC(=O)NCc1ccncc1 ZINC000078933113 522023881 /nfs/dbraw/zinc/02/38/81/522023881.db2.gz DOKIXVPNGNBLBC-NEPJUHHUSA-N 0 0 249.358 2.706 50 0 BFAARN CC[C@H](NC(=O)C1CC=CC1)c1cc(C)ccn1 ZINC000244787951 522366048 /nfs/dbraw/zinc/36/60/48/522366048.db2.gz QGXOSHKOQUAHSV-ZDUSSCGKSA-N 0 0 244.338 2.924 50 0 BFAARN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC1CC1 ZINC000040456148 523040094 /nfs/dbraw/zinc/04/00/94/523040094.db2.gz HKTVAKLTWAWERQ-CQSZACIVSA-N 0 0 247.338 2.739 50 0 BFAARN CC(=O)C[C@@H](C)CCNC(=O)OC(C)(C)C ZINC000238833346 534732822 /nfs/dbraw/zinc/73/28/22/534732822.db2.gz AQLQVPFCUIFAFL-VIFPVBQESA-N 0 0 229.320 2.516 50 0 BFAARN CC(C)(C)OC(=O)N1CCCc2ccc(N)cc21 ZINC000040448609 534834131 /nfs/dbraw/zinc/83/41/31/534834131.db2.gz LXBMKZNMZATOSI-UHFFFAOYSA-N 0 0 248.326 2.957 50 0 BFAARN Cc1cc(NC(N)=O)ccc1C(F)(F)F ZINC000390835815 525265498 /nfs/dbraw/zinc/26/54/98/525265498.db2.gz YYJXOCJMBLWQII-UHFFFAOYSA-N 0 0 218.178 2.504 50 0 BFAARN CC(C)(C)c1ncc(C(=O)NCC2CC2)s1 ZINC000049033664 534912876 /nfs/dbraw/zinc/91/28/76/534912876.db2.gz ORJRQUAZJYVIKD-UHFFFAOYSA-N 0 0 238.356 2.580 50 0 BFAARN CC(C)[C@H](C(=O)Nc1ccccn1)n1cccc1 ZINC000263587143 534913871 /nfs/dbraw/zinc/91/38/71/534913871.db2.gz CRVPMCSEHPWZSC-CYBMUJFWSA-N 0 0 243.310 2.719 50 0 BFAARN Cc1csc(=NC2CCCCC2)n1C ZINC000334157461 526305097 /nfs/dbraw/zinc/30/50/97/526305097.db2.gz LRUXRAZFPNIXHK-UHFFFAOYSA-N 0 0 210.346 2.628 50 0 BFAARN O=C(CC1CCCCC1)OCc1ccon1 ZINC000071914276 526363806 /nfs/dbraw/zinc/36/38/06/526363806.db2.gz FXYOICHSXDJEBW-UHFFFAOYSA-N 0 0 223.272 2.688 50 0 BFAARN O=c1nc(-c2ccc(F)cc2)cc(C(F)F)[nH]1 ZINC000390828993 526377549 /nfs/dbraw/zinc/37/75/49/526377549.db2.gz VQTNMQAROJFDSM-UHFFFAOYSA-N 0 0 240.184 2.926 50 0 BFAARN Fc1ccccc1OCCSc1ncc[nH]1 ZINC000172934569 526414592 /nfs/dbraw/zinc/41/45/92/526414592.db2.gz PJJWYLGGCLEMJX-UHFFFAOYSA-N 0 0 238.287 2.720 50 0 BFAARN O=C(Nc1cccnc1)Oc1ccc(F)cc1 ZINC000244315398 527444411 /nfs/dbraw/zinc/44/44/11/527444411.db2.gz XFVMXZHRDLWPBU-UHFFFAOYSA-N 0 0 232.214 2.832 50 0 BFAARN CC(C)N1C(=O)CS[C@@H]1c1cccs1 ZINC000000179812 528973230 /nfs/dbraw/zinc/97/32/30/528973230.db2.gz LTODYDYHMWWOCY-SNVBAGLBSA-N 0 0 227.354 2.731 50 0 BFAARN CCCCC(=O)N1CCCc2ncccc21 ZINC000069416553 534931713 /nfs/dbraw/zinc/93/17/13/534931713.db2.gz KRYVBUYWHSTTAB-UHFFFAOYSA-N 0 0 218.300 2.551 50 0 BFAARN CCCNC(=O)N1CCCc2ccccc21 ZINC000006726394 535083801 /nfs/dbraw/zinc/08/38/01/535083801.db2.gz GQHJMZZEFGQHEU-UHFFFAOYSA-N 0 0 218.300 2.559 50 0 BFAARN CCCc1ccc(CN(C)Cc2cnccn2)o1 ZINC000215561012 535417048 /nfs/dbraw/zinc/41/70/48/535417048.db2.gz SCHJYGMLMIVNDU-UHFFFAOYSA-N 0 0 245.326 2.654 50 0 BFAARN CCc1cccc(C)c1N1C(=O)CCCC1=O ZINC000003119574 535857486 /nfs/dbraw/zinc/85/74/86/535857486.db2.gz WYSMJYTXOGTNDO-UHFFFAOYSA-N 0 0 231.295 2.601 50 0 BFAARN CC[C@H](C)C(=O)N1Cc2cccc(F)c2C1 ZINC000335129922 536110404 /nfs/dbraw/zinc/11/04/04/536110404.db2.gz HUCKFSZLZZGYJY-VIFPVBQESA-N 0 0 221.275 2.714 50 0 BFAARN O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCCC1 ZINC000067125194 582462811 /nfs/dbraw/zinc/46/28/11/582462811.db2.gz HLVOTBBKRZFXBS-CHWSQXEVSA-N 0 0 233.286 2.552 50 0 BFAARN Cc1nc(Cl)cc(SC2CC2)n1 ZINC000757164992 582545916 /nfs/dbraw/zinc/54/59/16/582545916.db2.gz VFVHPWLMTIMEJP-UHFFFAOYSA-N 0 0 200.694 2.693 50 0 BFAARN Oc1ccccc1-c1noc(C2CCC2)n1 ZINC000238728343 582673156 /nfs/dbraw/zinc/67/31/56/582673156.db2.gz OWVRZJLMAWPEES-UHFFFAOYSA-N 0 0 216.240 2.710 50 0 BFAARN COc1cc(-c2cccc(C=O)c2F)ccn1 ZINC000394945124 583026802 /nfs/dbraw/zinc/02/68/02/583026802.db2.gz UVSQDFNSTMNNSN-UHFFFAOYSA-N 0 0 231.226 2.709 50 0 BFAARN C=CC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000888098996 583181117 /nfs/dbraw/zinc/18/11/17/583181117.db2.gz ZIPPHMNLWMRAEF-LLVKDONJSA-N 0 0 235.714 2.842 50 0 BFAARN Cn1cc(/C=C\c2ccnnc2)c(C(C)(C)C)n1 ZINC000888105061 583185076 /nfs/dbraw/zinc/18/50/76/583185076.db2.gz OPJIRIDHXVPCMK-WAYWQWQTSA-N 0 0 242.326 2.678 50 0 BFAARN Cc1cccnc1CC(=O)N(C)CC1CCCC1 ZINC000584891910 585016289 /nfs/dbraw/zinc/01/62/89/585016289.db2.gz PRTXQSONAKBJIR-UHFFFAOYSA-N 0 0 246.354 2.581 50 0 BFAARN C=CC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000791350812 585978535 /nfs/dbraw/zinc/97/85/35/585978535.db2.gz BNJDBQAGXSTKOH-AWEZNQCLSA-N 0 0 215.296 2.830 50 0 BFAARN CC(C)(C)SCCNC(=O)[C@H]1CC1(C)C ZINC000121474836 587843089 /nfs/dbraw/zinc/84/30/89/587843089.db2.gz PLFAYZJDPQHAEV-SECBINFHSA-N 0 0 229.389 2.680 50 0 BFAARN C=CC(=O)N1CCCSc2ccccc21 ZINC000848979122 588422791 /nfs/dbraw/zinc/42/27/91/588422791.db2.gz DXNPPLRVVTVXRL-UHFFFAOYSA-N 0 0 219.309 2.701 50 0 BFAARN C=CC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000848979134 588422859 /nfs/dbraw/zinc/42/28/59/588422859.db2.gz FUJBPJDTSHGDLY-IUCAKERBSA-N 0 0 235.249 2.657 50 0 BFAARN C=CC(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000848979274 588423375 /nfs/dbraw/zinc/42/33/75/588423375.db2.gz SGOYEIXYBYKBBE-AWEZNQCLSA-N 0 0 247.313 2.935 50 0 BFAARN C=CC(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000863970197 589329676 /nfs/dbraw/zinc/32/96/76/589329676.db2.gz DQAPLXVJYGDWQZ-ZDUSSCGKSA-N 0 0 215.296 2.579 50 0 BFAARN C=CC(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000863970196 589329697 /nfs/dbraw/zinc/32/96/97/589329697.db2.gz DQAPLXVJYGDWQZ-CYBMUJFWSA-N 0 0 215.296 2.579 50 0 BFAARN C=CC(=O)NCc1cc2ccccc2s1 ZINC000863971142 589330373 /nfs/dbraw/zinc/33/03/73/589330373.db2.gz GWMHQIUTNCFPRZ-UHFFFAOYSA-N 0 0 217.293 2.704 50 0 BFAARN C=CC(=O)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000863971419 589330550 /nfs/dbraw/zinc/33/05/50/589330550.db2.gz SKQQKXQGFOEZQO-AWEZNQCLSA-N 0 0 233.286 2.502 50 0 BFAARN C=CC(=O)N1CCCCc2c(OC)cccc21 ZINC000863971349 589330580 /nfs/dbraw/zinc/33/05/80/589330580.db2.gz PVMGNNPCWNAIKD-UHFFFAOYSA-N 0 0 231.295 2.551 50 0 BFAARN S=c1[nH]nc(C=Cc2cccs2)[nH]1 ZINC000048520753 631861353 /nfs/dbraw/zinc/86/13/53/631861353.db2.gz ZSJRVSLDYPQLLA-ARJAWSKDSA-N 0 0 209.299 2.699 50 0 BFAARN CCCCSC[C@H](COC(C)C)OC(C)=O ZINC000002977587 632017657 /nfs/dbraw/zinc/01/76/57/632017657.db2.gz QPPPCVIPIYILKC-LBPRGKRZSA-N 0 0 248.388 2.876 50 0 BFAARN CCCCCCOC(=O)[C@@H]1CN1C(C)(C)C ZINC000003194717 632678099 /nfs/dbraw/zinc/67/80/99/632678099.db2.gz TZEBWZNLIOCPDF-ZSOXZCCMSA-N 0 0 227.348 2.593 50 0 BFAARN CN(C)c1nsc(-c2cc(F)cc(F)c2)n1 ZINC000426380178 635696759 /nfs/dbraw/zinc/69/67/59/635696759.db2.gz WJPXBOJHRKQGHL-UHFFFAOYSA-N 0 0 241.266 2.549 50 0 BFAARN C=CC(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000863971094 636731931 /nfs/dbraw/zinc/73/19/31/636731931.db2.gz FAULAUYSBSSZQM-UHFFFAOYSA-N 0 0 217.268 2.525 50 0 BFAARN COc1ccc(-c2ncnc3ccsc32)cn1 ZINC000032581021 641389198 /nfs/dbraw/zinc/38/91/98/641389198.db2.gz DPYUTUYLMCHLKJ-UHFFFAOYSA-N 0 0 243.291 2.762 50 0 BFAARN Cc1cc(-c2cccc3cccnc32)nc(N)n1 ZINC000032540545 641884513 /nfs/dbraw/zinc/88/45/13/641884513.db2.gz WNPIYAOUGPWJKY-UHFFFAOYSA-N 0 0 236.278 2.582 50 0 BFAARN c1ccc(C2=NNC=N[C@@H]2c2ccccc2)cc1 ZINC000000185583 642750257 /nfs/dbraw/zinc/75/02/57/642750257.db2.gz GTBHCDUCDCRFSO-CQSZACIVSA-N 0 0 235.290 2.764 50 0 BFAARN CCSc1sc(CC)cc1CO ZINC000000281135 642763597 /nfs/dbraw/zinc/76/35/97/642763597.db2.gz WUXNTJZTKSZGLT-UHFFFAOYSA-N 0 0 202.344 2.915 50 0 BFAARN C[C@H](CCCC(C)(C)O)C[C@H]1OC[C@@H](C)O1 ZINC000016511192 642977583 /nfs/dbraw/zinc/97/75/83/642977583.db2.gz AKZXNDJMPSPJQM-UTUOFQBUSA-N 0 0 230.348 2.715 50 0 BFAARN COc1ccc(Cl)cc1-c1ncc(C)c(N)n1 ZINC000019143797 643039816 /nfs/dbraw/zinc/03/98/16/643039816.db2.gz ILZKCVXPBQDHNF-UHFFFAOYSA-N 0 0 249.701 2.696 50 0 BFAARN CCc1ccc(OCCn2ccnc2)cc1 ZINC000000431575 643074756 /nfs/dbraw/zinc/07/47/56/643074756.db2.gz RZTCTGXOVXQJOA-UHFFFAOYSA-N 0 0 216.284 2.525 50 0 BFAARN CCC[C@@H]1CCN(C(=O)Nc2cccnc2)C1 ZINC000072932288 643593237 /nfs/dbraw/zinc/59/32/37/643593237.db2.gz OIHFORWJEAJTOZ-LLVKDONJSA-N 0 0 233.315 2.736 50 0 BFAARN c1cn(C2CC2)c(SCc2ccccn2)n1 ZINC000073718866 644026772 /nfs/dbraw/zinc/02/67/72/644026772.db2.gz YMDYDGNMNPJONH-UHFFFAOYSA-N 0 0 231.324 2.905 50 0 BFAARN Nc1nc2c(s1)C[C@@H]1CCCC[C@H]1C2 ZINC000034617905 645607410 /nfs/dbraw/zinc/60/74/10/645607410.db2.gz JHUMDYXYRRVVRQ-YUMQZZPRSA-N 0 0 208.330 2.630 50 0 BFAARN C[C@@H]1CCC(=O)C[C@H]1OCC1CCCC1 ZINC000725363098 711664234 /nfs/dbraw/zinc/66/42/34/711664234.db2.gz XXIPUXAQWDOMNZ-ZWNOBZJWSA-N 0 0 210.317 2.951 50 0 BFAARN CC(C)(C)c1coc(CSCCCO)n1 ZINC000724408205 711579021 /nfs/dbraw/zinc/57/90/21/711579021.db2.gz OYRPWUVQHNVAFL-UHFFFAOYSA-N 0 0 229.345 2.588 50 0 BFAARN C[C@H]1CCC(=O)C[C@H]1Oc1ccccc1 ZINC000725362982 711664508 /nfs/dbraw/zinc/66/45/08/711664508.db2.gz WKIIXDFFDFBOQZ-GXFFZTMASA-N 0 0 204.269 2.823 50 0 BFAARN O=[N+]([O-])c1ccc(-c2ccncc2F)cc1 ZINC000166889451 711827887 /nfs/dbraw/zinc/82/78/87/711827887.db2.gz GEARXMITLJZVDI-UHFFFAOYSA-N 0 0 218.187 2.796 50 0 BFAARN c1nc2c(ncnc2-c2cc3ccccc3o2)[nH]1 ZINC000032561720 711844326 /nfs/dbraw/zinc/84/43/26/711844326.db2.gz NMLXRHKRJZNWOA-UHFFFAOYSA-N 0 0 236.234 2.766 50 0 BFAARN CC(C)=C(F)C(=O)O[C@@H](C)c1cccnc1 ZINC000095452015 711975927 /nfs/dbraw/zinc/97/59/27/711975927.db2.gz SUQZQMQQYNSRRO-VIFPVBQESA-N 0 0 223.247 2.949 50 0 BFAARN COCC(COC)(CC(C)C)C(C)C ZINC000038293201 711999027 /nfs/dbraw/zinc/99/90/27/711999027.db2.gz RGHIYOCUMCUWAQ-UHFFFAOYSA-N 0 0 202.338 2.968 50 0 BFAARN CC(C)c1ccc(S(N)(=O)=O)c(C(C)C)c1 ZINC000036666990 712477816 /nfs/dbraw/zinc/47/78/16/712477816.db2.gz HEOGBTPXOGGBMC-UHFFFAOYSA-N 0 0 241.356 2.581 50 0 BFAARN C=CC(=O)NC1(c2ccccc2Cl)CC1 ZINC000863971091 712620009 /nfs/dbraw/zinc/62/00/09/712620009.db2.gz DXEBVINWJXZZRM-UHFFFAOYSA-N 0 0 221.687 2.631 50 0 BFAARN NC(=O)C1(c2ccccc2Cl)CCCC1 ZINC001582939653 981790597 /nfs/dbraw/zinc/79/05/97/981790597.db2.gz LQTWSHXEBXHPOE-UHFFFAOYSA-N 0 0 223.703 2.637 50 0 BFAARN Fc1cc(Cl)cnc1OC[C@H]1CCCOC1 ZINC000585652125 973915722 /nfs/dbraw/zinc/91/57/22/973915722.db2.gz WKCBYSSEGWLGOU-QMMMGPOBSA-N 0 0 245.681 2.680 50 0 BFAARN Clc1cccnc1O[C@@H]1CCSC1 ZINC000585655161 973925238 /nfs/dbraw/zinc/92/52/38/973925238.db2.gz VOEFEUDVWJPYGV-SSDOTTSWSA-N 0 0 215.705 2.619 50 0 BFAARN Cn1cc(-c2nc(C3(Cl)CC3)cs2)cn1 ZINC000585098057 972136891 /nfs/dbraw/zinc/13/68/91/972136891.db2.gz IUJHOPHHGLTMPQ-UHFFFAOYSA-N 0 0 239.731 2.772 50 0 BFAARN CCc1cnc(NC(=O)c2ccoc2C2CC2)o1 ZINC000585124878 972157340 /nfs/dbraw/zinc/15/73/40/972157340.db2.gz XTTMSXGMUWBKKY-UHFFFAOYSA-N 0 0 246.266 2.960 50 0 BFAARN CC(C)(C)n1ncnc1[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000822289260 968514252 /nfs/dbraw/zinc/51/42/52/968514252.db2.gz INZHKVQHSJOODK-CSPFCNMYSA-N 0 0 231.343 2.793 50 0 BFAARN CC(C)n1ccc(-c2nc(-c3ccco3)n[nH]2)n1 ZINC000822284969 968514934 /nfs/dbraw/zinc/51/49/34/968514934.db2.gz ROPOFBGCFDSRAP-UHFFFAOYSA-N 0 0 243.270 2.509 50 0 BFAARN CCCn1nc(C(C)C)nc1-c1cccn1C ZINC000823033098 968540231 /nfs/dbraw/zinc/54/02/31/968540231.db2.gz MDOPCCMJMWREMQ-UHFFFAOYSA-N 0 0 232.331 2.817 50 0 BFAARN c1cc(C2CC2)nnc1OC1CCSCC1 ZINC000585651897 973918125 /nfs/dbraw/zinc/91/81/25/973918125.db2.gz IIEBOIUWGFYUMP-UHFFFAOYSA-N 0 0 236.340 2.628 50 0 BFAARN c1ccc2c(c1)ccnc2OC1CCOCC1 ZINC000585652510 973920783 /nfs/dbraw/zinc/92/07/83/973920783.db2.gz OOYBZZWDWZSYBX-UHFFFAOYSA-N 0 0 229.279 2.793 50 0 BFAARN CC(C)(C)Nc1n[nH]c(-c2ccccc2)n1 ZINC000952876010 974056700 /nfs/dbraw/zinc/05/67/00/974056700.db2.gz MMFSLAPCVBYFAX-UHFFFAOYSA-N 0 0 216.288 2.682 50 0 BFAARN C=CC(=O)Nc1scnc1C(C)(C)C ZINC000952888397 974064713 /nfs/dbraw/zinc/06/47/13/974064713.db2.gz YBKNLEPTRNJDHI-UHFFFAOYSA-N 0 0 210.302 2.565 50 0 BFAARN C=CC(=O)N1CCC[C@@H]1c1ccc(C)s1 ZINC000952888236 974065612 /nfs/dbraw/zinc/06/56/12/974065612.db2.gz PDUIDFUYEFLFQZ-SNVBAGLBSA-N 0 0 221.325 2.906 50 0 BFAARN C=CC(=O)N1CC(C)(C)[C@H]1c1ccccc1 ZINC000952888095 974067264 /nfs/dbraw/zinc/06/72/64/974067264.db2.gz MMYKGASHAHTIBK-CYBMUJFWSA-N 0 0 215.296 2.782 50 0 BFAARN CSC[C@@H](C)c1nc(C2(CF)CC2)no1 ZINC000952881694 985766878 /nfs/dbraw/zinc/76/68/78/985766878.db2.gz MLVAEPFHTBHTTM-SSDOTTSWSA-N 0 0 230.308 2.537 50 0 BFAARN CN(CC(C)(C)CO)c1nccc2ccccc21 ZINC001506410065 988780707 /nfs/dbraw/zinc/78/07/07/988780707.db2.gz DAYPJGKWMZPSOH-UHFFFAOYSA-N 0 0 244.338 2.690 50 0 BFAARN CCCCn1ncc(C)c1NC(=O)c1ccoc1 ZINC001506427481 988783357 /nfs/dbraw/zinc/78/33/57/988783357.db2.gz LTFUTVTWNGZSEJ-UHFFFAOYSA-N 0 0 247.298 2.837 50 0 BFAARN Cc1cc(C)cc(OC(=O)c2cccnc2)c1 ZINC000000451680 177911287 /nfs/dbraw/zinc/91/12/87/177911287.db2.gz PNKYYSDVRPSGKB-UHFFFAOYSA-N 0 0 227.263 2.918 50 0 BFAARN Nc1ccc(C(F)(F)F)c2ccncc12 ZINC000685962680 538909526 /nfs/dbraw/zinc/90/95/26/538909526.db2.gz PHXSADPYAUOUFD-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN CC(C)(C)NC(=O)/C=C\c1cccs1 ZINC000034701934 349453281 /nfs/dbraw/zinc/45/32/81/349453281.db2.gz RYWNUUHZSFKMBH-SREVYHEPSA-N 0 0 209.314 2.676 50 0 BFAARN Cc1cc(C)nc(NC2CCCCC2)n1 ZINC000000150092 177942416 /nfs/dbraw/zinc/94/24/16/177942416.db2.gz HCRGPKXECBTJHH-UHFFFAOYSA-N 0 0 205.305 2.838 50 0 BFAARN Cc1cc(C)nc(Sc2ccncc2)n1 ZINC000097022634 177948198 /nfs/dbraw/zinc/94/81/98/177948198.db2.gz NJAKDIKYNDQYCW-UHFFFAOYSA-N 0 0 217.297 2.640 50 0 BFAARN CC(C)=CCN1CC[C@@]2(CCCO2)CCC1=O ZINC000071756786 398159062 /nfs/dbraw/zinc/15/90/62/398159062.db2.gz OEEDFXBOSVZPTE-CQSZACIVSA-N 0 0 237.343 2.514 50 0 BFAARN CCC(CC)C(=O)N1CCOc2ccccc2C1 ZINC000033300697 168334612 /nfs/dbraw/zinc/33/46/12/168334612.db2.gz GPKLMBPWWPWGIJ-UHFFFAOYSA-N 0 0 247.338 2.844 50 0 BFAARN CC(C)=CCN1CC[C@]2(CCCO2)CCC1=O ZINC000071756787 398159094 /nfs/dbraw/zinc/15/90/94/398159094.db2.gz OEEDFXBOSVZPTE-AWEZNQCLSA-N 0 0 237.343 2.514 50 0 BFAARN Cc1cc(CNC(=O)/C=C/c2ccoc2)c(C)o1 ZINC000096120549 178009269 /nfs/dbraw/zinc/00/92/69/178009269.db2.gz ZHSBIXRPQCVIAR-ONEGZZNKSA-N 0 0 245.278 2.819 50 0 BFAARN Cc1cc(CNc2ccc(F)cc2)ncn1 ZINC000335597353 178043224 /nfs/dbraw/zinc/04/32/24/178043224.db2.gz MLTLVNBFVMQSMK-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN Cc1cc(COc2ccc(F)c(F)c2)no1 ZINC000071850897 178049766 /nfs/dbraw/zinc/04/97/66/178049766.db2.gz AKTMKDIHSWGJHK-UHFFFAOYSA-N 0 0 225.194 2.840 50 0 BFAARN Cc1cc(CSc2nccn2C2CC2)on1 ZINC000040485729 178053771 /nfs/dbraw/zinc/05/37/71/178053771.db2.gz IWDNAEAUCDUALL-UHFFFAOYSA-N 0 0 235.312 2.807 50 0 BFAARN Cc1cc(C[S@@](=O)Cc2ccccc2C)no1 ZINC000064811582 178058672 /nfs/dbraw/zinc/05/86/72/178058672.db2.gz GLWDDSMCROCQQW-QGZVFWFLSA-N 0 0 249.335 2.740 50 0 BFAARN Cc1cc(Cl)nc(-c2ccccn2)n1 ZINC000000167497 178071109 /nfs/dbraw/zinc/07/11/09/178071109.db2.gz QXTIZJZQBKJJCB-UHFFFAOYSA-N 0 0 205.648 2.500 50 0 BFAARN Cc1cc(F)c(F)c(C(=O)N2CCCC2)c1 ZINC000000036247 178075493 /nfs/dbraw/zinc/07/54/93/178075493.db2.gz AFWHZQOVDRSQRZ-UHFFFAOYSA-N 0 0 225.238 2.509 50 0 BFAARN Cc1cc(F)cc(C=O)c1Br ZINC000299889606 178076867 /nfs/dbraw/zinc/07/68/67/178076867.db2.gz LRRYXNAZBWKKHB-UHFFFAOYSA-N 0 0 217.037 2.709 50 0 BFAARN Cc1cc(F)ccc1NCc1ncccn1 ZINC000054459015 178089273 /nfs/dbraw/zinc/08/92/73/178089273.db2.gz BMMSFIVKTBCIHS-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN CCC(CC)C(=O)NCc1ccc(F)cc1 ZINC000000253616 168338779 /nfs/dbraw/zinc/33/87/79/168338779.db2.gz AYNMIZHWZZNZCP-UHFFFAOYSA-N 0 0 223.291 2.878 50 0 BFAARN Cc1cc(N(C)C)nc(Nc2ccccc2C)n1 ZINC000001425759 178097065 /nfs/dbraw/zinc/09/70/65/178097065.db2.gz OYXCDSXMERALRC-UHFFFAOYSA-N 0 0 242.326 2.903 50 0 BFAARN Cc1cc(N)ccc1NC(=O)C1CCCC1 ZINC000008703476 178106129 /nfs/dbraw/zinc/10/61/29/178106129.db2.gz MFMKLLUADPTKCW-UHFFFAOYSA-N 0 0 218.300 2.706 50 0 BFAARN CC(C)[S@@](=O)c1cccc(Br)c1 ZINC000074937756 398209824 /nfs/dbraw/zinc/20/98/24/398209824.db2.gz LRQCRBOMTRAHLA-LBPRGKRZSA-N 0 0 247.157 2.965 50 0 BFAARN N[C@H](CCc1ccccc1)C(F)(F)F ZINC000074208650 398201707 /nfs/dbraw/zinc/20/17/07/398201707.db2.gz CJIJQPOXSZBIGD-SECBINFHSA-N 0 0 203.207 2.509 50 0 BFAARN Cc1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 ZINC000018191984 178125069 /nfs/dbraw/zinc/12/50/69/178125069.db2.gz RVMAOBFLHDZNPI-UHFFFAOYSA-N 0 0 241.294 2.529 50 0 BFAARN Cc1cc(NC(=O)CCC2CCCC2)no1 ZINC000000475085 178128718 /nfs/dbraw/zinc/12/87/18/178128718.db2.gz UMURAGYTJSWJBM-UHFFFAOYSA-N 0 0 222.288 2.892 50 0 BFAARN Cc1cc(NC(=O)CCCc2ccccc2)n[nH]1 ZINC000048602754 178128750 /nfs/dbraw/zinc/12/87/50/178128750.db2.gz LUYKEMFLFXHKEV-UHFFFAOYSA-N 0 0 243.310 2.680 50 0 BFAARN Cc1cc(NC(=O)CCc2ccccc2)no1 ZINC000000035396 178129018 /nfs/dbraw/zinc/12/90/18/178129018.db2.gz RSGZSULBYQQALM-UHFFFAOYSA-N 0 0 230.267 2.554 50 0 BFAARN COC(=O)c1ccc(-c2ccccc2)c(O)c1 ZINC000074934355 398209742 /nfs/dbraw/zinc/20/97/42/398209742.db2.gz DHKUDXSEVBBTEA-UHFFFAOYSA-N 0 0 228.247 2.846 50 0 BFAARN Cc1cc(NC(=O)N(C)C2CCCCC2)no1 ZINC000009254019 178135112 /nfs/dbraw/zinc/13/51/12/178135112.db2.gz KMBQKQDIGFLLHC-UHFFFAOYSA-N 0 0 237.303 2.779 50 0 BFAARN COc1cc(F)c(C)cc1Br ZINC000074937861 398209818 /nfs/dbraw/zinc/20/98/18/398209818.db2.gz JHHKWHVDJFQNNG-UHFFFAOYSA-N 0 0 219.053 2.905 50 0 BFAARN Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)no1 ZINC000000476766 178145328 /nfs/dbraw/zinc/14/53/28/178145328.db2.gz PSRQPFSQPUKINL-NWDGAFQWSA-N 0 0 242.278 2.725 50 0 BFAARN CCC(CC)C(=O)Nc1nc(C)cs1 ZINC000000362422 168342814 /nfs/dbraw/zinc/34/28/14/168342814.db2.gz NQMFARPXEJBCPG-UHFFFAOYSA-N 0 0 212.318 2.826 50 0 BFAARN Cc1cc(NC(=O)c2ccc(Cl)s2)no1 ZINC000000342385 178150662 /nfs/dbraw/zinc/15/06/62/178150662.db2.gz XXOYXBALAIBIRL-UHFFFAOYSA-N 0 0 242.687 2.950 50 0 BFAARN Cc1cc(NC(=O)c2ccc(Cl)cc2)n(C)n1 ZINC000012443959 178150679 /nfs/dbraw/zinc/15/06/79/178150679.db2.gz MYEAVTGQLWTVFV-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN Cc1cc(NC(=O)c2ccccc2Cl)no1 ZINC000000338498 178151028 /nfs/dbraw/zinc/15/10/28/178151028.db2.gz MOTWKVACXVQFCY-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN Cc1cc(NC(=O)c2ccccc2Cl)n[nH]1 ZINC000042653300 178152078 /nfs/dbraw/zinc/15/20/78/178152078.db2.gz QDFMFEVTQGGFHE-UHFFFAOYSA-N 0 0 235.674 2.624 50 0 BFAARN Nc1ccc2[nH]c(-c3ccc(Cl)cn3)nc2c1 ZINC000074941776 398210611 /nfs/dbraw/zinc/21/06/11/398210611.db2.gz QGKOJJAVBDPHRM-UHFFFAOYSA-N 0 0 244.685 2.861 50 0 BFAARN CC(=O)CCc1ccc(Br)cc1 ZINC000000730512 259300796 /nfs/dbraw/zinc/30/07/96/259300796.db2.gz RCQQHTLGGMFKGG-UHFFFAOYSA-N 0 0 227.101 2.971 50 0 BFAARN C/C=C(\C)c1nnc(NC(=O)C(C)C)s1 ZINC000000618108 259300873 /nfs/dbraw/zinc/30/08/73/259300873.db2.gz XZVHYXCMBVLLGI-FNORWQNLSA-N 0 0 225.317 2.556 50 0 BFAARN Cc1cc(NCc2ccc(F)cc2F)no1 ZINC000083353080 178171198 /nfs/dbraw/zinc/17/11/98/178171198.db2.gz ZMDLPSRWTOMYSN-UHFFFAOYSA-N 0 0 224.210 2.873 50 0 BFAARN Cc1cc(NCc2ccc(F)cc2)no1 ZINC000083344611 178171323 /nfs/dbraw/zinc/17/13/23/178171323.db2.gz JVAPWGKNTFAMRE-UHFFFAOYSA-N 0 0 206.220 2.734 50 0 BFAARN Cc1cc(NN)c2cccc(C(C)C)c2n1 ZINC000014807673 178177461 /nfs/dbraw/zinc/17/74/61/178177461.db2.gz CXTWLUWUBXIOAZ-UHFFFAOYSA-N 0 0 215.300 2.952 50 0 BFAARN Cc1cnc([C@H](C)Nc2cc(C)ncn2)s1 ZINC000125195908 178179697 /nfs/dbraw/zinc/17/96/97/178179697.db2.gz ZPRSXULJGXKENG-VIFPVBQESA-N 0 0 234.328 2.723 50 0 BFAARN Cc1ccc(N2CCc3sccc3[C@@H]2C)nn1 ZINC000605432935 343986604 /nfs/dbraw/zinc/98/66/04/343986604.db2.gz NYNWUAQTTMFHQQ-JTQLQIEISA-N 0 0 245.351 2.970 50 0 BFAARN Cc1ccc(OCC(=O)NC(C)(C)C)c(C)c1 ZINC000000577635 259300690 /nfs/dbraw/zinc/30/06/90/259300690.db2.gz XBRMSZPKFOLUSH-UHFFFAOYSA-N 0 0 235.327 2.597 50 0 BFAARN Cc1cc(=O)n(-c2ccc(Cl)cc2)[nH]1 ZINC000100072424 178200897 /nfs/dbraw/zinc/20/08/97/178200897.db2.gz OXVRRVVTDOIBSI-UHFFFAOYSA-N 0 0 208.648 2.540 50 0 BFAARN Cc1cc([C@@H](C)NC(=O)NC2CC2)c(C)s1 ZINC000046063050 178221564 /nfs/dbraw/zinc/22/15/64/178221564.db2.gz OTIXOJBYRFAGBJ-MRVPVSSYSA-N 0 0 238.356 2.888 50 0 BFAARN CCc1ccsc1C(=O)Nc1ccncc1O ZINC000170593640 361765579 /nfs/dbraw/zinc/76/55/79/361765579.db2.gz AXEQUEGMGNEOMG-UHFFFAOYSA-N 0 0 248.307 2.663 50 0 BFAARN Cc1cc([C@@](C)(O)CNc2ccccn2)c(C)o1 ZINC000078308418 178243298 /nfs/dbraw/zinc/24/32/98/178243298.db2.gz WIEXCXCKCFNEDV-AWEZNQCLSA-N 0 0 246.310 2.611 50 0 BFAARN O=C(/C=C/c1ccc[nH]1)OCCc1ccccc1 ZINC000170602844 361788497 /nfs/dbraw/zinc/78/84/97/361788497.db2.gz OFIHBEYKJQPWCM-CMDGGOBGSA-N 0 0 241.290 2.814 50 0 BFAARN CCN(Cc1ccccn1)c1cccc(C)n1 ZINC000170604222 361792430 /nfs/dbraw/zinc/79/24/30/361792430.db2.gz VSYNRYPLZNYZGV-UHFFFAOYSA-N 0 0 227.311 2.812 50 0 BFAARN CC(C)CNC(=O)CCCOc1ccccc1 ZINC000014401717 259305917 /nfs/dbraw/zinc/30/59/17/259305917.db2.gz ZUPCMKHGZOMFJM-UHFFFAOYSA-N 0 0 235.327 2.618 50 0 BFAARN CC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000076510913 398241900 /nfs/dbraw/zinc/24/19/00/398241900.db2.gz QOYGJLCZJYYQLA-NSHDSACASA-N 0 0 207.273 2.743 50 0 BFAARN Cc1nn(-c2ccccc2)c2cc(C)oc(=O)c12 ZINC000000311360 178282858 /nfs/dbraw/zinc/28/28/58/178282858.db2.gz QFLNHAGJDXPCGY-UHFFFAOYSA-N 0 0 240.262 2.596 50 0 BFAARN Cc1cc2nn(C)cc2cc1Br ZINC000036533456 178304752 /nfs/dbraw/zinc/30/47/52/178304752.db2.gz YXQQOUJQUKPYGU-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Cc1cc2cc(Br)cnc2[nH]1 ZINC000045673141 178294311 /nfs/dbraw/zinc/29/43/11/178294311.db2.gz IWLFWGLFINYFHA-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000013535569 178296535 /nfs/dbraw/zinc/29/65/35/178296535.db2.gz BHJFYLMSXLVHFU-UHFFFAOYSA-N 0 0 235.670 2.968 50 0 BFAARN Cc1ccc(-c2ccc(Cl)nn2)cc1N ZINC000044804368 178324764 /nfs/dbraw/zinc/32/47/64/178324764.db2.gz XVHAVKIYXOMMLD-UHFFFAOYSA-N 0 0 219.675 2.688 50 0 BFAARN Cc1ccc(-c2cn3c(n2)[nH]c(C)cc3=O)cc1 ZINC000100325334 178327617 /nfs/dbraw/zinc/32/76/17/178327617.db2.gz XXLXTGJAIGZTEB-UHFFFAOYSA-N 0 0 239.278 2.719 50 0 BFAARN Cc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC000000085228 178338144 /nfs/dbraw/zinc/33/81/44/178338144.db2.gz RIMVUUKBJWYWKS-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN Cc1ccc(-c2nc3ncccn3c2C=O)cc1 ZINC000002533993 178338166 /nfs/dbraw/zinc/33/81/66/178338166.db2.gz MOJTYOVQZVJKLS-UHFFFAOYSA-N 0 0 237.262 2.517 50 0 BFAARN Cc1ccc(-c2nc[nH]n2)c2ccccc12 ZINC000032529770 178340092 /nfs/dbraw/zinc/34/00/92/178340092.db2.gz PKZPPWUBAOXDTE-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN Cc1ccc(-n2nc3c(c2N)CSC3)cc1 ZINC000002454964 178348068 /nfs/dbraw/zinc/34/80/68/178348068.db2.gz OKOSZGFGHNBTFN-UHFFFAOYSA-N 0 0 231.324 2.510 50 0 BFAARN Cc1ccc(-n2nc3c(c2N)CSC3)cc1C ZINC000002455064 178348147 /nfs/dbraw/zinc/34/81/47/178348147.db2.gz SIWLPGBBIXPRDV-UHFFFAOYSA-N 0 0 245.351 2.818 50 0 BFAARN Cc1ccc(/C=C/c2nc([C@H]3CCOC3)no2)o1 ZINC000096462771 178356454 /nfs/dbraw/zinc/35/64/54/178356454.db2.gz GSBMOVKEWLMDIG-YEZKRMTDSA-N 0 0 246.266 2.645 50 0 BFAARN C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccco1 ZINC000025260714 538948004 /nfs/dbraw/zinc/94/80/04/538948004.db2.gz CJUPUXDQSVWOJO-GHMZBOCLSA-N 0 0 219.284 2.813 50 0 BFAARN Cc1ccc(/C=C\C(=O)Nc2cccnc2)o1 ZINC000005784385 178357687 /nfs/dbraw/zinc/35/76/87/178357687.db2.gz DFDAIVPFRALWTM-SREVYHEPSA-N 0 0 228.251 2.635 50 0 BFAARN Cc1ccc(/N=c2\ssnc2Cl)nc1 ZINC000012462468 178361351 /nfs/dbraw/zinc/36/13/51/178361351.db2.gz LBEWEPZNDKOVBC-FLIBITNWSA-N 0 0 243.744 2.794 50 0 BFAARN Cc1ccc(=O)n(CCCC2CCCC2)n1 ZINC000089610829 178361572 /nfs/dbraw/zinc/36/15/72/178361572.db2.gz KQQCPJGHENLRFZ-UHFFFAOYSA-N 0 0 220.316 2.522 50 0 BFAARN Cc1ccc(-n2nnnc2-c2cccs2)cc1 ZINC000000411358 178351274 /nfs/dbraw/zinc/35/12/74/178351274.db2.gz PZFBSVPHLSUVDO-UHFFFAOYSA-N 0 0 242.307 2.699 50 0 BFAARN C[C@H]1CCCN(C(=O)CSC(C)(C)C)C1 ZINC000033023520 538951180 /nfs/dbraw/zinc/95/11/80/538951180.db2.gz LEKCSTRMFAVIQG-JTQLQIEISA-N 0 0 229.389 2.777 50 0 BFAARN C[C@H](C(=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000033487594 538952301 /nfs/dbraw/zinc/95/23/01/538952301.db2.gz COVLHGVAWGONRH-LBPRGKRZSA-N 0 0 247.338 2.619 50 0 BFAARN CC(C)C(=O)Nc1ccnn1C1CCCC1 ZINC000032739310 538950333 /nfs/dbraw/zinc/95/03/33/538950333.db2.gz USAIVSFMSBEVQX-UHFFFAOYSA-N 0 0 221.304 2.593 50 0 BFAARN CCc1cc2c(C)cc(=O)oc2cc1OC(C)=O ZINC000000069962 342672746 /nfs/dbraw/zinc/67/27/46/342672746.db2.gz VXXVTKQDJAVXAU-UHFFFAOYSA-N 0 0 246.262 2.589 50 0 biogenic BFAARN O=C(c1cccnc1Cl)N1CCCCCC1 ZINC000000484252 342688938 /nfs/dbraw/zinc/68/89/38/342688938.db2.gz FNTRKDKOYDHUTN-UHFFFAOYSA-N 0 0 238.718 2.751 50 0 BFAARN Cc1ccc(CNC(=O)c2cccs2)cc1 ZINC000000101672 342674269 /nfs/dbraw/zinc/67/42/69/342674269.db2.gz NUQVSGQAALWHLJ-UHFFFAOYSA-N 0 0 231.320 2.987 50 0 BFAARN CC(C)(C)NC(=S)NC1CCCCC1 ZINC000000099117 342674340 /nfs/dbraw/zinc/67/43/40/342674340.db2.gz GUABXNOIRYHFOC-UHFFFAOYSA-N 0 0 214.378 2.582 50 0 BFAARN Cc1ccc(O)c(C(=O)c2ccccc2)c1 ZINC000000136134 342676627 /nfs/dbraw/zinc/67/66/27/342676627.db2.gz OQERFUGURPLBQH-UHFFFAOYSA-N 0 0 212.248 2.932 50 0 BFAARN CC[C@@H](C)NC(=O)COc1cccc(C)c1C ZINC000000138263 342676643 /nfs/dbraw/zinc/67/66/43/342676643.db2.gz ATDUXDPQGKIMNI-LLVKDONJSA-N 0 0 235.327 2.597 50 0 BFAARN CSc1sc(C(N)=S)c(C)c1C(C)=O ZINC000000148727 342677119 /nfs/dbraw/zinc/67/71/19/342677119.db2.gz UFLHKKBYUPEGRJ-UHFFFAOYSA-N 0 0 245.394 2.615 50 0 BFAARN O=c1cc(-c2ccncc2)c2ccc(O)cc2o1 ZINC000000153915 342677336 /nfs/dbraw/zinc/67/73/36/342677336.db2.gz PTBKPYBPJZBSMP-UHFFFAOYSA-N 0 0 239.230 2.561 50 0 BFAARN CCCc1ncc([C@@H](O)c2ccc(C)cc2)n1C ZINC000000170150 342678972 /nfs/dbraw/zinc/67/89/72/342678972.db2.gz HBXMZDAHOUFAFK-HNNXBMFYSA-N 0 0 244.338 2.763 50 0 BFAARN Clc1cc2nsnc2cc1Cl ZINC000000168050 342679052 /nfs/dbraw/zinc/67/90/52/342679052.db2.gz FANYVGCAISPJSX-UHFFFAOYSA-N 0 0 205.069 2.998 50 0 BFAARN CCCC(=O)c1ccc(OC)c(OC)c1 ZINC000000173942 342679255 /nfs/dbraw/zinc/67/92/55/342679255.db2.gz VMDUYDPNEDZGBN-UHFFFAOYSA-N 0 0 208.257 2.687 50 0 BFAARN CC[C@]1(C)C[C@H](c2csc(N)n2)CCO1 ZINC000000207045 342680111 /nfs/dbraw/zinc/68/01/11/342680111.db2.gz AECHTYJNUUZQBK-LDYMZIIASA-N 0 0 226.345 2.788 50 0 BFAARN CC(C)CCn1c2ccccc2nc1CO ZINC000000237698 342680936 /nfs/dbraw/zinc/68/09/36/342680936.db2.gz OCGZALVQRZOSBZ-UHFFFAOYSA-N 0 0 218.300 2.575 50 0 BFAARN Cn1cnnc1SCc1ccccc1Cl ZINC000000273625 342681901 /nfs/dbraw/zinc/68/19/01/342681901.db2.gz YGBIVQXAFLJZBS-UHFFFAOYSA-N 0 0 239.731 2.761 50 0 BFAARN CCOc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000000282812 342681991 /nfs/dbraw/zinc/68/19/91/342681991.db2.gz SPQLXRCPBSSJCE-UHFFFAOYSA-N 0 0 233.189 2.586 50 0 BFAARN Cc1cc(C)n(C(=O)c2ccccc2Cl)n1 ZINC000000282963 342682020 /nfs/dbraw/zinc/68/20/20/342682020.db2.gz IARJJCVPPPWSAK-UHFFFAOYSA-N 0 0 234.686 2.842 50 0 BFAARN CC(C)c1ccc(C(=O)NC2=NCCS2)cc1 ZINC000000309686 342682784 /nfs/dbraw/zinc/68/27/84/342682784.db2.gz GRXDKWWLFPZLIZ-UHFFFAOYSA-N 0 0 248.351 2.643 50 0 BFAARN CC(C)(C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000000311839 342683028 /nfs/dbraw/zinc/68/30/28/342683028.db2.gz PBNQGWUUPOQXLC-UHFFFAOYSA-N 0 0 235.283 2.790 50 0 BFAARN CCOC(=O)[C@@H]1CC12CCC(F)(F)CC2 ZINC000222996386 398274618 /nfs/dbraw/zinc/27/46/18/398274618.db2.gz ZKUILEVFEBZJLG-QMMMGPOBSA-N 0 0 218.243 2.765 50 0 BFAARN Cc1c(Br)csc1C=O ZINC000000334113 342683592 /nfs/dbraw/zinc/68/35/92/342683592.db2.gz CNQKPFYSSHUZHW-UHFFFAOYSA-N 0 0 205.076 2.632 50 0 BFAARN Cc1cc(Br)cc(Cl)c1NC=O ZINC000000332255 342683702 /nfs/dbraw/zinc/68/37/02/342683702.db2.gz SILBGGNJDNJLCC-UHFFFAOYSA-N 0 0 248.507 2.979 50 0 BFAARN C[C@](O)(c1cc2ccccc2[nH]1)c1ccncc1 ZINC000000336803 342683781 /nfs/dbraw/zinc/68/37/81/342683781.db2.gz SLUGGHNQQAQXEJ-OAHLLOKOSA-N 0 0 238.290 2.819 50 0 BFAARN O=C1Oc2ccccc2Cc2ccccc21 ZINC000000347874 342684351 /nfs/dbraw/zinc/68/43/51/342684351.db2.gz GGIOIQZXJHGLEB-UHFFFAOYSA-N 0 0 210.232 2.810 50 0 BFAARN Cn1cccc1-c1nc2ccccc2n1C ZINC000000350176 342684564 /nfs/dbraw/zinc/68/45/64/342684564.db2.gz YYBSXIPKDCHDTJ-UHFFFAOYSA-N 0 0 211.268 2.579 50 0 BFAARN CC[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000000363758 342685071 /nfs/dbraw/zinc/68/50/71/342685071.db2.gz DQHVTOQZTUOPHD-SECBINFHSA-N 0 0 237.299 2.688 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000000365296 342685201 /nfs/dbraw/zinc/68/52/01/342685201.db2.gz IYKKYOYUJUQWGX-SECBINFHSA-N 0 0 234.299 2.630 50 0 BFAARN CSc1ncc(Br)c(Cl)n1 ZINC000000394674 342686087 /nfs/dbraw/zinc/68/60/87/342686087.db2.gz XVRYJQACDDVZEI-UHFFFAOYSA-N 0 0 239.525 2.614 50 0 BFAARN Cc1ccc(NC(=O)NCc2cccnc2)cc1 ZINC000000395485 342686307 /nfs/dbraw/zinc/68/63/07/342686307.db2.gz ZFFOKMWFKQIHKR-UHFFFAOYSA-N 0 0 241.294 2.712 50 0 BFAARN Clc1cc2nnsc2cc1Cl ZINC000000402256 342686430 /nfs/dbraw/zinc/68/64/30/342686430.db2.gz UEGRPBWFVBWAGM-UHFFFAOYSA-N 0 0 205.069 2.998 50 0 BFAARN Cc1ccc(NC(=O)N2CCCC2)c(C)c1 ZINC000000397729 342686501 /nfs/dbraw/zinc/68/65/01/342686501.db2.gz WKKPLFRFVXOUQZ-UHFFFAOYSA-N 0 0 218.300 2.931 50 0 BFAARN O=C(c1ccc[nH]1)c1ccc(Cl)cc1 ZINC000000398969 342686518 /nfs/dbraw/zinc/68/65/18/342686518.db2.gz YTVORWPYOKKVAM-UHFFFAOYSA-N 0 0 205.644 2.899 50 0 BFAARN Cc1ccc(NC(=O)c2noc3c2CCC3)cc1 ZINC000000426309 342687490 /nfs/dbraw/zinc/68/74/90/342687490.db2.gz FVPDISXWSJZWIP-UHFFFAOYSA-N 0 0 242.278 2.724 50 0 BFAARN CC[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)CCC2 ZINC000000427704 342687495 /nfs/dbraw/zinc/68/74/95/342687495.db2.gz CNNMTGOUQGHWQB-MRVPVSSYSA-N 0 0 249.310 2.797 50 0 BFAARN C=CS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000000449294 342687757 /nfs/dbraw/zinc/68/77/57/342687757.db2.gz XUCGDKWYZOHBKB-UHFFFAOYSA-N 0 0 224.325 2.901 50 0 BFAARN O=C(c1ccc(Cl)cc1Cl)n1cccn1 ZINC000000460597 342688071 /nfs/dbraw/zinc/68/80/71/342688071.db2.gz RCDMQXMXRUPREK-UHFFFAOYSA-N 0 0 241.077 2.878 50 0 BFAARN Cc1occc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000000476878 342688285 /nfs/dbraw/zinc/68/82/85/342688285.db2.gz JENVRFLBGVMGSO-UWVGGRQHSA-N 0 0 221.300 2.706 50 0 BFAARN O=C(c1cc(Cl)ccc1Cl)n1cccn1 ZINC000000474896 342688292 /nfs/dbraw/zinc/68/82/92/342688292.db2.gz JFCHIXMDZKHIPX-UHFFFAOYSA-N 0 0 241.077 2.878 50 0 BFAARN Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1C ZINC000006730588 178423377 /nfs/dbraw/zinc/42/33/77/178423377.db2.gz PHPBKIILYPSVTQ-GXTWGEPZSA-N 0 0 247.338 2.601 50 0 BFAARN CC(C)CNC(=O)/C=C/c1cccs1 ZINC000000474324 342688378 /nfs/dbraw/zinc/68/83/78/342688378.db2.gz XYMQNLHPNUPZEP-AATRIKPKSA-N 0 0 209.314 2.534 50 0 BFAARN Cc1ccc(C(=O)Nc2ccc(C)cn2)o1 ZINC000000475781 342688420 /nfs/dbraw/zinc/68/84/20/342688420.db2.gz GYSLRDLABUQQMW-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN Cc1cc(C)n(C(=O)c2ccc(Cl)cc2)n1 ZINC000000037178 342670689 /nfs/dbraw/zinc/67/06/89/342670689.db2.gz JXBJSVPXZCXBOC-UHFFFAOYSA-N 0 0 234.686 2.842 50 0 BFAARN Cc1ccc(NC(=O)CCc2ccccc2)nc1 ZINC000000036077 342670716 /nfs/dbraw/zinc/67/07/16/342670716.db2.gz MSLCAFDMWPKQIC-UHFFFAOYSA-N 0 0 240.306 2.961 50 0 BFAARN O=C1CCCc2c3cc(F)ccc3[nH]c21 ZINC000000050815 342671235 /nfs/dbraw/zinc/67/12/35/342671235.db2.gz KXRCTKTUQDTGQN-UHFFFAOYSA-N 0 0 203.216 2.826 50 0 BFAARN Fc1ccc(C(=S)N2CCCCC2)cc1 ZINC000000051574 342671595 /nfs/dbraw/zinc/67/15/95/342671595.db2.gz BDBDQJZSRYVROK-UHFFFAOYSA-N 0 0 223.316 2.987 50 0 BFAARN CC[C@@H](C)NC(=O)COc1ccc(C)cc1C ZINC000000577631 342690683 /nfs/dbraw/zinc/69/06/83/342690683.db2.gz VXDGEPCGPYYMBJ-GFCCVEGCSA-N 0 0 235.327 2.597 50 0 BFAARN C[C@@H](O)c1cccc(NC(=O)c2ccco2)c1 ZINC000001017189 342695954 /nfs/dbraw/zinc/69/59/54/342695954.db2.gz USPPJXDUGDMKSQ-SECBINFHSA-N 0 0 231.251 2.585 50 0 BFAARN Cc1c2ccccc2oc1C(=O)Nc1ccon1 ZINC000001053999 342696361 /nfs/dbraw/zinc/69/63/61/342696361.db2.gz GUIGJQARQUINPO-UHFFFAOYSA-N 0 0 242.234 2.982 50 0 BFAARN Cn1cc([C@@H](O)C(F)(F)F)c2ccccc21 ZINC000001399170 342700041 /nfs/dbraw/zinc/70/00/41/342700041.db2.gz ARPIRHUPDYIDHC-SNVBAGLBSA-N 0 0 229.201 2.774 50 0 BFAARN CCOc1ccc(C=O)cc1Br ZINC000001410688 342700358 /nfs/dbraw/zinc/70/03/58/342700358.db2.gz TZUUPGZANQRCHD-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN O=Cc1ccc2cc(Br)ccc2n1 ZINC000001526638 342702414 /nfs/dbraw/zinc/70/24/14/342702414.db2.gz VQOCWJMSBFLQKK-UHFFFAOYSA-N 0 0 236.068 2.810 50 0 BFAARN CCOc1ccccc1-n1cccc1C=O ZINC000001527089 342702539 /nfs/dbraw/zinc/70/25/39/342702539.db2.gz KWROACBOPWXYBZ-UHFFFAOYSA-N 0 0 215.252 2.689 50 0 BFAARN COc1ccc2c(c1)[C@H]1CN=C3CCCC[C@]31O2 ZINC000096027961 342702545 /nfs/dbraw/zinc/70/25/45/342702545.db2.gz DRKPIHKTIRPCSV-IUODEOHRSA-N 0 0 243.306 2.939 50 0 BFAARN Clc1ccc(OC2CCCCC2)nn1 ZINC000001673308 342708139 /nfs/dbraw/zinc/70/81/39/342708139.db2.gz OJQAWSGLUDQRGU-UHFFFAOYSA-N 0 0 212.680 2.842 50 0 BFAARN O=C(c1ccc(F)c(F)c1)C(F)(F)F ZINC000002378571 342719433 /nfs/dbraw/zinc/71/94/33/342719433.db2.gz WEKSIOBQIQXAEE-UHFFFAOYSA-N 0 0 210.101 2.710 50 0 BFAARN O=C(c1c[nH]c2ccccc12)C(F)(F)F ZINC000002260811 342717602 /nfs/dbraw/zinc/71/76/02/342717602.db2.gz LCMDCXWSHDFQKP-UHFFFAOYSA-N 0 0 213.158 2.913 50 0 BFAARN CC(C)[C@@H]1C[C@@H](C)CC[C@@H]1O[C@H]1C=CC(=O)O1 ZINC000004114337 342742818 /nfs/dbraw/zinc/74/28/18/342742818.db2.gz CLAZQKKQQKBAAC-ZJQBRPOHSA-N 0 0 238.327 2.903 50 0 BFAARN Cc1c(N)ccc(Br)c1Cl ZINC000004290654 342746206 /nfs/dbraw/zinc/74/62/06/342746206.db2.gz IAWSZYHMEPZGKK-UHFFFAOYSA-N 0 0 220.497 2.993 50 0 BFAARN CC[C@H]1CSc2nc3ccsc3c(=O)n21 ZINC000004324172 342746699 /nfs/dbraw/zinc/74/66/99/342746699.db2.gz YIBHXNKOPNOJLD-LURJTMIESA-N 0 0 238.337 2.515 50 0 BFAARN O=C([O-])[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000004381491 342747508 /nfs/dbraw/zinc/74/75/08/342747508.db2.gz LCRCODPYSHSWAR-CQSZACIVSA-N 0 0 241.290 2.602 50 0 BFAARN NN=c1[nH]c2c(ccc(Cl)c2Cl)s1 ZINC000002455663 342721078 /nfs/dbraw/zinc/72/10/78/342721078.db2.gz RHSWSCIFRBRYRR-UHFFFAOYSA-N 0 0 234.111 2.889 50 0 aggregator BFAARN CCOc1cccc(-c2n[nH]c(=S)n2C)c1 ZINC000002492260 342721324 /nfs/dbraw/zinc/72/13/24/342721324.db2.gz CAURZSQEPDAZTD-UHFFFAOYSA-N 0 0 235.312 2.543 50 0 BFAARN O=C(c1ccccc1CN1CC=CC1)C1CC1 ZINC000002515919 342722213 /nfs/dbraw/zinc/72/22/13/342722213.db2.gz FQRUBCMDSSYWIZ-UHFFFAOYSA-N 0 0 227.307 2.651 50 0 BFAARN CCOc1ccc(OCC)c(C(C)=O)c1 ZINC000002526533 342722742 /nfs/dbraw/zinc/72/27/42/342722742.db2.gz IFLFTVAARGTQDY-UHFFFAOYSA-N 0 0 208.257 2.687 50 0 BFAARN COc1c2occc2cc2ccc(=O)oc21 ZINC000002548959 342723858 /nfs/dbraw/zinc/72/38/58/342723858.db2.gz QXKHYNVANLEOEG-UHFFFAOYSA-N 0 0 216.192 2.548 50 0 biogenic,fda BFAARN Cn1cc(Br)c(-c2ccccc2)n1 ZINC000002548469 342723904 /nfs/dbraw/zinc/72/39/04/342723904.db2.gz RHOKURUCEBPOIH-UHFFFAOYSA-N 0 0 237.100 2.850 50 0 BFAARN [NH3+][C@H](C(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000002582459 342725615 /nfs/dbraw/zinc/72/56/15/342725615.db2.gz PTDUZBVRDQXJJC-ZDUSSCGKSA-N 0 0 243.262 2.563 50 0 BFAARN COc1cc(Cl)cc(C=O)c1OC(C)C ZINC000002776885 342727006 /nfs/dbraw/zinc/72/70/06/342727006.db2.gz ZWOOAUXTBHPQPI-UHFFFAOYSA-N 0 0 228.675 2.948 50 0 BFAARN CCCC(=O)NCc1ccc(Cl)cc1 ZINC000003095034 342730394 /nfs/dbraw/zinc/73/03/94/342730394.db2.gz AOLOVPRVWXNVRZ-UHFFFAOYSA-N 0 0 211.692 2.756 50 0 BFAARN COc1ccc(NC(=O)C(C)(C)C)c(OC)c1 ZINC000003192501 342731251 /nfs/dbraw/zinc/73/12/51/342731251.db2.gz ASCWINKALJRDMY-UHFFFAOYSA-N 0 0 237.299 2.688 50 0 BFAARN Nc1c2ccccc2oc1C(=O)c1ccco1 ZINC000003282496 342732188 /nfs/dbraw/zinc/73/21/88/342732188.db2.gz WUJHSEBHZVJTIN-UHFFFAOYSA-N 0 0 227.219 2.839 50 0 BFAARN CCCCOc1ccc(NC(=O)C(C)C)cn1 ZINC000034839753 342732242 /nfs/dbraw/zinc/73/22/42/342732242.db2.gz UHOIQYPHBBGPEN-UHFFFAOYSA-N 0 0 236.315 2.855 50 0 BFAARN Cc1cc(N)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000003885417 342738870 /nfs/dbraw/zinc/73/88/70/342738870.db2.gz DAAKMPQKHLKAHN-UHFFFAOYSA-N 0 0 241.216 2.782 50 0 BFAARN O=C(c1cc2ccccc2cc1O)N1CCCC1 ZINC000004761614 342751793 /nfs/dbraw/zinc/75/17/93/342751793.db2.gz MVVCPEOQKNHPJR-UHFFFAOYSA-N 0 0 241.290 2.781 50 0 BFAARN CC[C@@H](C)NC(=O)c1cc2ccccc2o1 ZINC000004839107 342753095 /nfs/dbraw/zinc/75/30/95/342753095.db2.gz JQZILTPLRFQRJS-SECBINFHSA-N 0 0 217.268 2.961 50 0 BFAARN CCC(CC)NC(=O)c1cccc(F)c1 ZINC000008327738 168386092 /nfs/dbraw/zinc/38/60/92/168386092.db2.gz IFDXDRZIKSYGDW-UHFFFAOYSA-N 0 0 209.264 2.744 50 0 BFAARN CCSc1ccc(NC(C)=O)s1 ZINC000005247701 342760843 /nfs/dbraw/zinc/76/08/43/342760843.db2.gz BHMIQFRBADXBEX-UHFFFAOYSA-N 0 0 201.316 2.819 50 0 BFAARN CCOc1ccccc1C(=O)N1CCC[C@H](C)C1 ZINC000005475989 342764585 /nfs/dbraw/zinc/76/45/85/342764585.db2.gz OWWPOXILFVPGBZ-LBPRGKRZSA-N 0 0 247.338 2.957 50 0 BFAARN O=C(c1cccs1)[C@H](O)c1ccccc1 ZINC000005486399 342764795 /nfs/dbraw/zinc/76/47/95/342764795.db2.gz YFZMKLUEORCQRT-LLVKDONJSA-N 0 0 218.277 2.664 50 0 BFAARN Cc1ccc(OCCNC(=O)C(C)(C)C)cc1 ZINC000005545280 342766037 /nfs/dbraw/zinc/76/60/37/342766037.db2.gz RHAXMINJEGGJCG-UHFFFAOYSA-N 0 0 235.327 2.536 50 0 BFAARN CCCc1nc(-c2ccc(C)cc2)no1 ZINC000005597744 342766704 /nfs/dbraw/zinc/76/67/04/342766704.db2.gz AKMOYSDZOWQHDU-UHFFFAOYSA-N 0 0 202.257 2.998 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000005593248 342766792 /nfs/dbraw/zinc/76/67/92/342766792.db2.gz ZJXLOQISZGLQIY-SSDOTTSWSA-N 0 0 212.680 2.720 50 0 BFAARN Nc1ccc2[nH]c(-c3cccs3)nc2c1 ZINC000005687374 342768556 /nfs/dbraw/zinc/76/85/56/342768556.db2.gz ODERBZFANUDJQA-UHFFFAOYSA-N 0 0 215.281 2.874 50 0 BFAARN CCCc1c(C)[nH]c2c(OC)cccc2c1=O ZINC000005686255 342768579 /nfs/dbraw/zinc/76/85/79/342768579.db2.gz GCYLRGJLMNXSHC-UHFFFAOYSA-N 0 0 231.295 2.798 50 0 BFAARN O=C1NC(c2ccccc2)=N/C1=C/c1ccccc1 ZINC000005731352 342769212 /nfs/dbraw/zinc/76/92/12/342769212.db2.gz KAWZYGYMVASGLF-SDNWHVSQSA-N 0 0 248.285 2.604 50 0 BFAARN Nc1cccc2c(Br)cncc12 ZINC000005933743 342771512 /nfs/dbraw/zinc/77/15/12/342771512.db2.gz BAQIJWFGYGKBRU-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN OCc1ccc(Cl)c(OCC(F)(F)F)c1 ZINC000146844259 342772371 /nfs/dbraw/zinc/77/23/71/342772371.db2.gz YYJHPOOMOYDAKX-UHFFFAOYSA-N 0 0 240.608 2.773 50 0 BFAARN C[C@@H](Cn1cccn1)Nc1nc2ccccc2o1 ZINC000042338093 342772464 /nfs/dbraw/zinc/77/24/64/342772464.db2.gz MBBVOAXNKDJCSC-JTQLQIEISA-N 0 0 242.282 2.525 50 0 BFAARN Cc1cc(=O)c2cccc(Br)c2[nH]1 ZINC000008672870 342801766 /nfs/dbraw/zinc/80/17/66/342801766.db2.gz VZEQVJZHDYRCBZ-UHFFFAOYSA-N 0 0 238.084 2.599 50 0 BFAARN CCOc1ccc(NC(=O)Nc2ccon2)cc1 ZINC000006698752 342781154 /nfs/dbraw/zinc/78/11/54/342781154.db2.gz GIHDMQMFIXBPEL-UHFFFAOYSA-N 0 0 247.254 2.717 50 0 BFAARN Cc1ccc(NC(=O)Nc2ccon2)cc1C ZINC000006726646 342781635 /nfs/dbraw/zinc/78/16/35/342781635.db2.gz MEDUPXHOVFOZFX-UHFFFAOYSA-N 0 0 231.255 2.935 50 0 BFAARN Cc1ccc(C(=O)Nc2cccc(F)c2)cn1 ZINC000032895361 178437214 /nfs/dbraw/zinc/43/72/14/178437214.db2.gz JLYFMVQGFUOZPS-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN CNC(=O)[C@H](C)Sc1ccc(C)cc1C ZINC000040464741 538971183 /nfs/dbraw/zinc/97/11/83/538971183.db2.gz WFZXQARQBQCHKZ-JTQLQIEISA-N 0 0 223.341 2.530 50 0 BFAARN CC1CCC(N(C)C(=O)C2CCC2)CC1 ZINC000040473024 538971389 /nfs/dbraw/zinc/97/13/89/538971389.db2.gz NLYIGZAUFTWPOW-UHFFFAOYSA-N 0 0 209.333 2.824 50 0 BFAARN Cc1cnc(NC(=O)c2ccc(F)cc2)s1 ZINC000002765375 342787653 /nfs/dbraw/zinc/78/76/53/342787653.db2.gz DOZNSNKOGCGIND-UHFFFAOYSA-N 0 0 236.271 2.843 50 0 BFAARN Cc1ccc(C(=O)Nc2ccon2)cc1C ZINC000013745724 178438123 /nfs/dbraw/zinc/43/81/23/178438123.db2.gz OZOUVHNXYSUUHU-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN O=C(OC1CCCCC1)c1ccc(O)cc1 ZINC000003963287 342789053 /nfs/dbraw/zinc/78/90/53/342789053.db2.gz HAOWVEVISIQKSC-UHFFFAOYSA-N 0 0 220.268 2.882 50 0 BFAARN COCc1ccccc1COC(=O)c1ccco1 ZINC000097372294 342789909 /nfs/dbraw/zinc/78/99/09/342789909.db2.gz BSTXUSINYCTQNJ-UHFFFAOYSA-N 0 0 246.262 2.783 50 0 BFAARN CC(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000007264094 342790523 /nfs/dbraw/zinc/79/05/23/342790523.db2.gz INUZQBFAWXFNGW-ZDUSSCGKSA-N 0 0 217.312 2.836 50 0 BFAARN CCCn1c2ccccc2nc1[C@@H](O)CC ZINC000007548716 342792012 /nfs/dbraw/zinc/79/20/12/342792012.db2.gz LMPLMPRIWDMDSQ-LBPRGKRZSA-N 0 0 218.300 2.890 50 0 BFAARN CCCn1c2ccccc2nc1[C@H](O)CC ZINC000007548705 342792076 /nfs/dbraw/zinc/79/20/76/342792076.db2.gz LMPLMPRIWDMDSQ-GFCCVEGCSA-N 0 0 218.300 2.890 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccccc1O ZINC000007610497 342792391 /nfs/dbraw/zinc/79/23/91/342792391.db2.gz UQLYDIDMLDTUDL-UHFFFAOYSA-N 0 0 209.245 2.739 50 0 BFAARN CC[C@H]1CCCN(Cc2nc(C3CC3)no2)C1 ZINC000048058166 342794044 /nfs/dbraw/zinc/79/40/44/342794044.db2.gz CCMCNCZGQNJIEK-JTQLQIEISA-N 0 0 235.331 2.569 50 0 BFAARN CC(=O)Oc1c(C)cc(Br)cc1C ZINC000007951851 342795100 /nfs/dbraw/zinc/79/51/00/342795100.db2.gz ACPQEWQSYPPLOS-UHFFFAOYSA-N 0 0 243.100 2.991 50 0 BFAARN Cc1cc(C(=O)Nc2cc(C)cc(C)c2)no1 ZINC000007970160 342795159 /nfs/dbraw/zinc/79/51/59/342795159.db2.gz KRYWEJDGWIEYMT-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN Cc1ccc(C(=O)c2cc(C)ccn2)cc1 ZINC000045028593 178446361 /nfs/dbraw/zinc/44/63/61/178446361.db2.gz UEXMFVMVMFDQNA-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN CCC(CC)Nc1ccc(CCO)cc1 ZINC000040738184 168393673 /nfs/dbraw/zinc/39/36/73/168393673.db2.gz KXCMHIGUBXUIRU-UHFFFAOYSA-N 0 0 207.317 2.822 50 0 BFAARN O=c1ccc(-c2nc3ccccc3s2)c[nH]1 ZINC000008729859 342803866 /nfs/dbraw/zinc/80/38/66/342803866.db2.gz BBQYQEBIYBOKBJ-UHFFFAOYSA-N 0 0 228.276 2.652 50 0 BFAARN COC(=O)Cc1csc(-c2ccccc2)n1 ZINC000009049754 342807667 /nfs/dbraw/zinc/80/76/67/342807667.db2.gz UHGHQMPJPZDYGD-UHFFFAOYSA-N 0 0 233.292 2.526 50 0 BFAARN Nc1ccc(-c2nnc3n2CCCCCC3)cc1 ZINC000009738387 342826347 /nfs/dbraw/zinc/82/63/47/342826347.db2.gz VMISOIYJAHTARI-UHFFFAOYSA-N 0 0 242.326 2.644 50 0 BFAARN C=C(C)[C@@H]1CCC(CCl)=C1C(=O)OC ZINC000045071507 538990616 /nfs/dbraw/zinc/99/06/16/538990616.db2.gz POQVWGLSTNEFES-VIFPVBQESA-N 0 0 214.692 2.681 50 0 BFAARN Cc1ccc(CN(C)C(=O)c2ccn(C)c2C)o1 ZINC000194949551 539008998 /nfs/dbraw/zinc/00/89/98/539008998.db2.gz RRGZGLMZPRWIEG-UHFFFAOYSA-N 0 0 246.310 2.507 50 0 BFAARN O=C1CCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000072329924 398295608 /nfs/dbraw/zinc/29/56/08/398295608.db2.gz YPPIQSQVRLWFHP-UHFFFAOYSA-N 0 0 243.228 2.828 50 0 BFAARN Clc1nc2ccccc2c(N2CCCC2)n1 ZINC000011756095 342843039 /nfs/dbraw/zinc/84/30/39/342843039.db2.gz RECJJAGHHWLXOZ-UHFFFAOYSA-N 0 0 233.702 2.883 50 0 BFAARN CCc1nc(C(C)C)nc(Cl)c1F ZINC000108376733 539027607 /nfs/dbraw/zinc/02/76/07/539027607.db2.gz PFVFBRJURWLJPX-UHFFFAOYSA-N 0 0 202.660 2.955 50 0 BFAARN CCCC(=O)C1=C(O)CC[C@H](C(C)C)C1 ZINC000109253561 539027882 /nfs/dbraw/zinc/02/78/82/539027882.db2.gz YUGLCPNBZCECTO-WDEREUQCSA-N 0 0 210.317 2.997 50 0 BFAARN C[C@H](C(=O)N1CCCC1)c1ccc(F)cc1F ZINC000104153517 539015136 /nfs/dbraw/zinc/01/51/36/539015136.db2.gz IGAXDKKQYKQIDJ-VIFPVBQESA-N 0 0 239.265 2.691 50 0 BFAARN Nc1ccc(-c2nc3cccnc3s2)cc1 ZINC000011535846 342841268 /nfs/dbraw/zinc/84/12/68/342841268.db2.gz IVSNYGRJULLELG-UHFFFAOYSA-N 0 0 227.292 2.941 50 0 BFAARN Cc1sc(C=O)cc1Br ZINC000012357543 342849863 /nfs/dbraw/zinc/84/98/63/342849863.db2.gz NXBRLTKLAXZRPO-UHFFFAOYSA-N 0 0 205.076 2.632 50 0 BFAARN Nc1n[nH]cc1-c1cccc2ccccc21 ZINC000012404983 342851617 /nfs/dbraw/zinc/85/16/17/342851617.db2.gz LGCKPABYBBJROE-UHFFFAOYSA-N 0 0 209.252 2.812 50 0 BFAARN COc1c(N)cc(Cl)cc1Br ZINC000012505264 342852755 /nfs/dbraw/zinc/85/27/55/342852755.db2.gz CAYJPMAXJIWLBZ-UHFFFAOYSA-N 0 0 236.496 2.693 50 0 BFAARN O=C1CCCOc2cc(Br)ccc21 ZINC000012505429 342852790 /nfs/dbraw/zinc/85/27/90/342852790.db2.gz LXKQMHNFHKVGAZ-UHFFFAOYSA-N 0 0 241.084 2.804 50 0 BFAARN CSc1ncnc2c1cnn2-c1ccccc1 ZINC000004341393 342853754 /nfs/dbraw/zinc/85/37/54/342853754.db2.gz AQTIEZYJQMOLMG-UHFFFAOYSA-N 0 0 242.307 2.537 50 0 BFAARN COc1cc(C(=O)Nc2cccnc2)ccc1C ZINC000012537151 342853967 /nfs/dbraw/zinc/85/39/67/342853967.db2.gz VINADRYFDKLKJK-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C1CC1 ZINC000012976872 342862173 /nfs/dbraw/zinc/86/21/73/342862173.db2.gz YXLWMYLOOIVHFV-JTQLQIEISA-N 0 0 242.322 2.625 50 0 BFAARN CC[C@@H](C)C(=O)N[C@H]1CCc2ccccc21 ZINC000012983964 342862365 /nfs/dbraw/zinc/86/23/65/342862365.db2.gz VZVVFOHUCRWRDO-MFKMUULPSA-N 0 0 217.312 2.836 50 0 BFAARN Cn1cc(-c2csc(N)n2)c2ccccc21 ZINC000013005271 342862856 /nfs/dbraw/zinc/86/28/56/342862856.db2.gz QCOLYHPQNUTSDV-UHFFFAOYSA-N 0 0 229.308 2.884 50 0 BFAARN C[C@@H](C(=O)[O-])[N@H+](C)Cc1csc2ccccc12 ZINC000111312651 398303263 /nfs/dbraw/zinc/30/32/63/398303263.db2.gz JWFBLCKATLCQFO-VIFPVBQESA-N 0 0 249.335 2.806 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)c1cc(C2CC2)on1 ZINC000013363671 342866495 /nfs/dbraw/zinc/86/64/95/342866495.db2.gz GSUNKTLHDHCHJY-LLVKDONJSA-N 0 0 248.326 2.957 50 0 BFAARN C/C=C\c1cc(OC)c(OC)cc1OC ZINC000013424754 342866617 /nfs/dbraw/zinc/86/66/17/342866617.db2.gz RKFAZBXYICVSKP-WAYWQWQTSA-N 0 0 208.257 2.746 50 0 biogenic,in-vitro BFAARN O=C(CCC1CCCCC1)Nc1ccon1 ZINC000013746921 342871176 /nfs/dbraw/zinc/87/11/76/342871176.db2.gz XPJYHHFVOUECBH-UHFFFAOYSA-N 0 0 222.288 2.974 50 0 BFAARN CCc1ccc(C(=O)Nc2cc(C)on2)s1 ZINC000013744258 342871245 /nfs/dbraw/zinc/87/12/45/342871245.db2.gz XVISBYVKAUICHZ-UHFFFAOYSA-N 0 0 236.296 2.859 50 0 BFAARN CCCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000032819483 342879190 /nfs/dbraw/zinc/87/91/90/342879190.db2.gz BYTNUEPPTXRSTN-NWDGAFQWSA-N 0 0 209.333 2.968 50 0 BFAARN Nc1nc2c(s1)c(Cl)ccc2F ZINC000015442798 342896385 /nfs/dbraw/zinc/89/63/85/342896385.db2.gz XCUITTBSKCRPCT-UHFFFAOYSA-N 0 0 202.641 2.671 50 0 BFAARN Nc1cc(Cl)cc(OC(F)(F)F)c1 ZINC000015442478 342896422 /nfs/dbraw/zinc/89/64/22/342896422.db2.gz LGCOAKFQLUXQAB-UHFFFAOYSA-N 0 0 211.570 2.821 50 0 BFAARN CSCCCNC(=O)C1CCCCCC1 ZINC000096412070 398317827 /nfs/dbraw/zinc/31/78/27/398317827.db2.gz WGSHJDXNHBRPEH-UHFFFAOYSA-N 0 0 229.389 2.826 50 0 BFAARN CC(C)(C)OC(=O)NCc1ccnc2[nH]ccc21 ZINC000014401085 342880241 /nfs/dbraw/zinc/88/02/41/342880241.db2.gz HCQHANLFBAKUFB-UHFFFAOYSA-N 0 0 247.298 2.588 50 0 BFAARN Cc1ccc(C(N)=O)cc1NC[C@H]1CC=CCC1 ZINC000125166662 178458798 /nfs/dbraw/zinc/45/87/98/178458798.db2.gz GLTNFVWASJPUSF-LBPRGKRZSA-N 0 0 244.338 2.862 50 0 BFAARN Nc1ccc(OCC2CCCC2)c(F)c1 ZINC000014630593 342883107 /nfs/dbraw/zinc/88/31/07/342883107.db2.gz XXONWNHQSNEALI-UHFFFAOYSA-N 0 0 209.264 2.977 50 0 BFAARN Clc1cccc2c(Br)[nH]nc21 ZINC000014983470 342890149 /nfs/dbraw/zinc/89/01/49/342890149.db2.gz KBOHOYPACGOYAV-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN CC(C)CCc1ncncc1Br ZINC000015021325 342890851 /nfs/dbraw/zinc/89/08/51/342890851.db2.gz KCNXLDSTEUTQCO-UHFFFAOYSA-N 0 0 229.121 2.828 50 0 BFAARN Fc1ccc(-n2cc(Br)cn2)cc1 ZINC000016159751 342907345 /nfs/dbraw/zinc/90/73/45/342907345.db2.gz OAIFXEHOEQLJIP-UHFFFAOYSA-N 0 0 241.063 2.774 50 0 BFAARN Cc1ccc2[nH]c(-c3cccnc3)nc2c1 ZINC000016348231 342909958 /nfs/dbraw/zinc/90/99/58/342909958.db2.gz WVYGCHDGGVPIBU-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN Cc1scc(C(=O)NCc2ccccn2)c1C ZINC000016603547 342913186 /nfs/dbraw/zinc/91/31/86/342913186.db2.gz RCNAMNIPICIKGC-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN CCC1CCC(NC(=O)c2ccncc2)CC1 ZINC000016603892 342913216 /nfs/dbraw/zinc/91/32/16/342913216.db2.gz CLBGPYBXYXUEAN-UHFFFAOYSA-N 0 0 232.327 2.780 50 0 BFAARN CCc1cc(C(=O)NCc2cccnc2)cs1 ZINC000016604899 342913381 /nfs/dbraw/zinc/91/33/81/342913381.db2.gz KBJXYRSMQLAFOV-UHFFFAOYSA-N 0 0 246.335 2.636 50 0 BFAARN Cc1ccc(NC(=O)Nc2cnccn2)c(C)c1 ZINC000015934248 342903340 /nfs/dbraw/zinc/90/33/40/342903340.db2.gz LBFAIULKJHQNAV-UHFFFAOYSA-N 0 0 242.282 2.737 50 0 BFAARN COc1ccc(C[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000016662759 342913860 /nfs/dbraw/zinc/91/38/60/342913860.db2.gz DHDGUMNSZWJMRG-GFCCVEGCSA-N 0 0 249.354 2.936 50 0 BFAARN c1ccc(CSc2nc3cccnc3[nH]2)nc1 ZINC000004171454 398328551 /nfs/dbraw/zinc/32/85/51/398328551.db2.gz IRPRSMDDPUGQSC-UHFFFAOYSA-N 0 0 242.307 2.645 50 0 BFAARN CC(C)c1nnc2ccc(NC3CCCC3)nn21 ZINC000032104944 398328598 /nfs/dbraw/zinc/32/85/98/398328598.db2.gz VXWUSQVMNWMOHR-UHFFFAOYSA-N 0 0 245.330 2.602 50 0 BFAARN Cc1ccc(C)c(C(=O)NCCc2ccco2)c1 ZINC000012977768 178466067 /nfs/dbraw/zinc/46/60/67/178466067.db2.gz FXQWJBUKUWGFSH-UHFFFAOYSA-N 0 0 243.306 2.869 50 0 BFAARN Cc1nnc(SCC(=O)C(C)(C)C)s1 ZINC000033702332 398337511 /nfs/dbraw/zinc/33/75/11/398337511.db2.gz XTRIQUOPZORAPS-UHFFFAOYSA-N 0 0 230.358 2.554 50 0 BFAARN Nc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000019260730 342944624 /nfs/dbraw/zinc/94/46/24/342944624.db2.gz ONDLGHGVJQYNAO-UHFFFAOYSA-N 0 0 238.718 2.548 50 0 BFAARN Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000019256759 342944711 /nfs/dbraw/zinc/94/47/11/342944711.db2.gz LLSUFBIBUWJAEH-UHFFFAOYSA-N 0 0 225.597 2.863 50 0 BFAARN COc1cccc(COC(=O)C2CCCCC2)n1 ZINC000075611029 398343811 /nfs/dbraw/zinc/34/38/11/398343811.db2.gz JKXALHWRPOTQGU-UHFFFAOYSA-N 0 0 249.310 2.714 50 0 BFAARN CC(C)c1cccc(OCCN2CCOCC2)c1 ZINC000019770611 342956696 /nfs/dbraw/zinc/95/66/96/342956696.db2.gz JQLDXBOSEKDSJY-UHFFFAOYSA-N 0 0 249.354 2.521 50 0 BFAARN O=C(c1ccccc1)c1ccc2c(c1)COCO2 ZINC000005681723 346901136 /nfs/dbraw/zinc/90/11/36/346901136.db2.gz KCASBLURSLOWEG-UHFFFAOYSA-N 0 0 240.258 2.784 50 0 BFAARN Nc1ccc(F)c(NC(=O)c2ccccc2)c1 ZINC000019736564 342955427 /nfs/dbraw/zinc/95/54/27/342955427.db2.gz OJWSNNNESCSTGB-UHFFFAOYSA-N 0 0 230.242 2.660 50 0 BFAARN Cn1ccnc1SCc1ccc(Cl)nc1 ZINC000019845469 342959872 /nfs/dbraw/zinc/95/98/72/342959872.db2.gz UXIROIQGADYQQC-UHFFFAOYSA-N 0 0 239.731 2.761 50 0 BFAARN CO[C@H]1c2ccccc2C(=O)N1CCC(C)C ZINC000020123853 342970208 /nfs/dbraw/zinc/97/02/08/342970208.db2.gz VPTINPVSCPBKPX-AWEZNQCLSA-N 0 0 233.311 2.834 50 0 BFAARN Cc1cc(C(=O)NC2CCCCC2)ccc1N ZINC000020195100 342976159 /nfs/dbraw/zinc/97/61/59/342976159.db2.gz SBGJPNBLQXCNHV-UHFFFAOYSA-N 0 0 232.327 2.640 50 0 BFAARN O=C(CCc1ccsc1)Nc1cccnc1 ZINC000019939099 342963935 /nfs/dbraw/zinc/96/39/35/342963935.db2.gz QRXISWRVMHPNAX-UHFFFAOYSA-N 0 0 232.308 2.714 50 0 BFAARN COc1cc(/C=C/c2ccncc2)ccc1O ZINC000019943836 342963978 /nfs/dbraw/zinc/96/39/78/342963978.db2.gz IHIKWQDEXHMVOS-NSCUHMNNSA-N 0 0 227.263 2.966 50 0 BFAARN Nc1ccccc1NC(=O)Cc1cccs1 ZINC000020343629 342982274 /nfs/dbraw/zinc/98/22/74/342982274.db2.gz WEODBNBBRRDLDV-UHFFFAOYSA-N 0 0 232.308 2.512 50 0 BFAARN Nc1cc(NC(=O)c2ccncc2)ccc1Cl ZINC000020344209 342982397 /nfs/dbraw/zinc/98/23/97/342982397.db2.gz BCDFJEXWQOMIRA-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000020373284 342984419 /nfs/dbraw/zinc/98/44/19/342984419.db2.gz RMMIOVXHHBXTOU-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN Nc1cc(NC(=O)c2ccc(F)cc2)ccc1F ZINC000021959853 343030787 /nfs/dbraw/zinc/03/07/87/343030787.db2.gz WVWIUTBFJPCXTP-UHFFFAOYSA-N 0 0 248.232 2.799 50 0 BFAARN CCC[C@]1(C(F)(F)F)CCCN1C(C)=O ZINC000335908869 136261836 /nfs/dbraw/zinc/26/18/36/136261836.db2.gz LOYIMVRNNQVHKD-SECBINFHSA-N 0 0 223.238 2.730 50 0 BFAARN CC(C)(C)OC(=O)c1cc(Cl)ccn1 ZINC000022200317 343044076 /nfs/dbraw/zinc/04/40/76/343044076.db2.gz BSCMJQUASNXFIA-UHFFFAOYSA-N 0 0 213.664 2.690 50 0 BFAARN CCc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000012341773 343047895 /nfs/dbraw/zinc/04/78/95/343047895.db2.gz DZPOUCQZRNTFFR-YFHOEESVSA-N 0 0 233.292 2.573 50 0 BFAARN Cc1csc(CNC(=O)Nc2ccccc2)n1 ZINC000022423331 343048766 /nfs/dbraw/zinc/04/87/66/343048766.db2.gz BBWIDFOBPGXZKV-UHFFFAOYSA-N 0 0 247.323 2.773 50 0 BFAARN Cc1occc1C(=O)Nc1nnc(C2CC2)s1 ZINC000022738552 343053118 /nfs/dbraw/zinc/05/31/18/343053118.db2.gz CEODBOAIMRPOHY-UHFFFAOYSA-N 0 0 249.295 2.569 50 0 BFAARN Cc1cc(C(=O)NC[C@@H](C)c2ccccc2)on1 ZINC000023445063 343064496 /nfs/dbraw/zinc/06/44/96/343064496.db2.gz YKTYIMHXMPLFSY-SNVBAGLBSA-N 0 0 244.294 2.517 50 0 BFAARN CC(C)C(=O)Nc1nc(C2CC2)cs1 ZINC000025559840 343092126 /nfs/dbraw/zinc/09/21/26/343092126.db2.gz DHJDYIVEXLJIOL-UHFFFAOYSA-N 0 0 210.302 2.615 50 0 BFAARN CCCc1nc(C)c(C(=O)NC(C)C)s1 ZINC000042791408 362026304 /nfs/dbraw/zinc/02/63/04/362026304.db2.gz MBLFNEHZFUHJFN-UHFFFAOYSA-N 0 0 226.345 2.542 50 0 BFAARN CCCCCCNC(=O)NCC(C)C ZINC000071793377 362028358 /nfs/dbraw/zinc/02/83/58/362028358.db2.gz HBOSIFBELCRBIL-UHFFFAOYSA-N 0 0 200.326 2.522 50 0 BFAARN O=C(CCc1ccco1)NCc1cccs1 ZINC000025080390 343087440 /nfs/dbraw/zinc/08/74/40/343087440.db2.gz CLLWPKVAIRWKDG-UHFFFAOYSA-N 0 0 235.308 2.590 50 0 BFAARN Cc1ccsc1C(=O)NCc1ccc(C)n1C ZINC000025467125 343090660 /nfs/dbraw/zinc/09/06/60/343090660.db2.gz SBQRHHYKWFSGPV-UHFFFAOYSA-N 0 0 248.351 2.633 50 0 BFAARN Cc1ccc(CN(C)Cc2c(C)noc2C)o1 ZINC000042978285 362047707 /nfs/dbraw/zinc/04/77/07/362047707.db2.gz FBOJNZMIOJOOOA-UHFFFAOYSA-N 0 0 234.299 2.825 50 0 BFAARN O=c1ccc(-c2ccc3ccccc3c2)n[nH]1 ZINC000026420383 343104776 /nfs/dbraw/zinc/10/47/76/343104776.db2.gz WGLIXRXOERJHDG-UHFFFAOYSA-N 0 0 222.247 2.590 50 0 BFAARN CCOc1ccc(-n2cc[nH]c2=S)cc1 ZINC000026423276 343104918 /nfs/dbraw/zinc/10/49/18/343104918.db2.gz ZSOWPDJCRZVGLA-UHFFFAOYSA-N 0 0 220.297 2.934 50 0 BFAARN C[C@H](O)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000026462094 343105659 /nfs/dbraw/zinc/10/56/59/343105659.db2.gz ANEHHLDOZYEWQV-ZETCQYMHSA-N 0 0 224.691 2.530 50 0 BFAARN Cc1cnnc2c(Br)cccc12 ZINC000026507288 343105954 /nfs/dbraw/zinc/10/59/54/343105954.db2.gz NFXNYBCKEYDLMU-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN Cc1ccsc1CNC(=O)c1ccccc1O ZINC000025678411 343094339 /nfs/dbraw/zinc/09/43/39/343094339.db2.gz CSIXHZICKFJUFL-UHFFFAOYSA-N 0 0 247.319 2.692 50 0 BFAARN O=C(CCc1cccnc1)Nc1ccccc1 ZINC000013283701 362065016 /nfs/dbraw/zinc/06/50/16/362065016.db2.gz KOMRTXIUMQIGRR-UHFFFAOYSA-N 0 0 226.279 2.653 50 0 BFAARN CCOc1ncccc1NC(=O)C[C@@H]1C=CCC1 ZINC000027514803 343118021 /nfs/dbraw/zinc/11/80/21/343118021.db2.gz RWPJTXVVWAQUAF-LLVKDONJSA-N 0 0 246.310 2.775 50 0 BFAARN CCNC(=O)N[C@](C)(CC)c1ccccc1 ZINC000072271560 343118415 /nfs/dbraw/zinc/11/84/15/343118415.db2.gz CSUHBLJJJOVLPJ-CYBMUJFWSA-N 0 0 220.316 2.631 50 0 BFAARN Cc1ccc(NC(=O)Nc2ccon2)cc1F ZINC000013320341 362100962 /nfs/dbraw/zinc/10/09/62/362100962.db2.gz KOUXNDUTNUAATK-UHFFFAOYSA-N 0 0 235.218 2.766 50 0 BFAARN CCCC(=O)NCc1cccc(Cl)c1 ZINC000013328036 362102575 /nfs/dbraw/zinc/10/25/75/362102575.db2.gz BGTCYXNSTQXCMM-UHFFFAOYSA-N 0 0 211.692 2.756 50 0 BFAARN CCOc1ncccc1NC(=O)C1CCCC1 ZINC000027587295 343122240 /nfs/dbraw/zinc/12/22/40/343122240.db2.gz AAIUERCVNARPTK-UHFFFAOYSA-N 0 0 234.299 2.609 50 0 BFAARN Cc1cc(Br)cc2nccnc12 ZINC000039121583 343117121 /nfs/dbraw/zinc/11/71/21/343117121.db2.gz DGGITVDNUKFNTJ-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN CC(C)C[C@]1(C)Nc2ccccc2C(=O)N1 ZINC000028187934 343127542 /nfs/dbraw/zinc/12/75/42/343127542.db2.gz GLTLSRADCWBWDK-CYBMUJFWSA-N 0 0 218.300 2.604 50 0 BFAARN Cc1cc(C)n(Cc2cc(N)ccc2Cl)n1 ZINC000030769255 343197903 /nfs/dbraw/zinc/19/79/03/343197903.db2.gz UNBSETUMLZOAOG-UHFFFAOYSA-N 0 0 235.718 2.784 50 0 BFAARN Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 ZINC000031990552 343227548 /nfs/dbraw/zinc/22/75/48/343227548.db2.gz AGZGTCUSGGVSFV-UHFFFAOYSA-N 0 0 227.242 2.951 50 0 BFAARN COc1ccc(C(=O)c2ccccc2N)cc1 ZINC000032015322 343228696 /nfs/dbraw/zinc/22/86/96/343228696.db2.gz FLORUWDSYNSEAH-UHFFFAOYSA-N 0 0 227.263 2.508 50 0 BFAARN CCCc1cc(=O)c2cccc(C)c2[nH]1 ZINC000032099908 343229632 /nfs/dbraw/zinc/22/96/32/343229632.db2.gz LBIWAWKGQRGEIB-UHFFFAOYSA-N 0 0 201.269 2.789 50 0 BFAARN Nc1c(Br)ncc2ccccc12 ZINC000032299974 343232080 /nfs/dbraw/zinc/23/20/80/343232080.db2.gz DERRKDMURMTHHF-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN O=C([O-])c1c[nH+]c2ccccc2c1N1CCCC1 ZINC000032500190 343236667 /nfs/dbraw/zinc/23/66/67/343236667.db2.gz XVJYPDCHTMDFHX-UHFFFAOYSA-N 0 0 242.278 2.533 50 0 BFAARN Cc1cc(-c2cccc(C)c2C)nc(N)n1 ZINC000032519417 343237148 /nfs/dbraw/zinc/23/71/48/343237148.db2.gz XSVLKHGOECGMHB-UHFFFAOYSA-N 0 0 213.284 2.651 50 0 BFAARN CCOc1ccc([C@@H]2CCCN2C(C)=O)cc1 ZINC000032820989 343242443 /nfs/dbraw/zinc/24/24/43/343242443.db2.gz PWHYTTMZZVJLRW-AWEZNQCLSA-N 0 0 233.311 2.769 50 0 BFAARN Cc1ccc(NC(=O)[C@H]2CC=CCC2)nc1 ZINC000032843878 343243197 /nfs/dbraw/zinc/24/31/97/343243197.db2.gz UEJYPMVCWLBBCH-NSHDSACASA-N 0 0 216.284 2.685 50 0 BFAARN CC(C)N(C[C@@H]1C[C@H]1C)C(=O)Nc1cccnc1 ZINC000072304748 343244372 /nfs/dbraw/zinc/24/43/72/343244372.db2.gz XTCZSNUMKVPPMI-NEPJUHHUSA-N 0 0 247.342 2.980 50 0 BFAARN CCCCS(=O)(=O)/C=C\c1ccccc1 ZINC000033347865 343251508 /nfs/dbraw/zinc/25/15/08/343251508.db2.gz MIVYUWYOOIZUCC-LUAWRHEFSA-N 0 0 224.325 2.872 50 0 BFAARN CC(C)(C)C(=O)Nc1nc(Cl)ccc1C=O ZINC000034349067 343268384 /nfs/dbraw/zinc/26/83/84/343268384.db2.gz QTIICTFBNRXNRF-UHFFFAOYSA-N 0 0 240.690 2.532 50 0 BFAARN O=c1[nH]c(N2CCCCC2)cn1-c1ccccc1 ZINC000000202223 343269310 /nfs/dbraw/zinc/26/93/10/343269310.db2.gz FUQLJMMNTLJHCE-UHFFFAOYSA-N 0 0 243.310 2.511 50 0 BFAARN CC(=O)N(c1nnc(C)s1)c1ccccc1 ZINC000001204893 343270313 /nfs/dbraw/zinc/27/03/13/343270313.db2.gz CASXKIWREZOJSS-UHFFFAOYSA-N 0 0 233.296 2.531 50 0 BFAARN CC(C)(C)OC(=O)N1CCC(CF)CC1 ZINC000034452723 343271249 /nfs/dbraw/zinc/27/12/49/343271249.db2.gz JPONZPZEVAZHJW-UHFFFAOYSA-N 0 0 217.284 2.603 50 0 BFAARN CCO[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000004845709 343273336 /nfs/dbraw/zinc/27/33/36/343273336.db2.gz LNHLJTKPCVBJSS-LLVKDONJSA-N 0 0 222.284 2.945 50 0 BFAARN COC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000034606934 343275884 /nfs/dbraw/zinc/27/58/84/343275884.db2.gz KZWKRXZFJWFHSR-ZETCQYMHSA-N 0 0 243.100 2.726 50 0 BFAARN Ic1cccc2cc[nH]c21 ZINC000034614698 343276257 /nfs/dbraw/zinc/27/62/57/343276257.db2.gz VBKAPLYISDSUCE-UHFFFAOYSA-N 0 0 243.047 2.773 50 0 BFAARN CC(C)(C)[C@@H]1CCc2[nH]c(=O)sc2C1 ZINC000034669847 343277123 /nfs/dbraw/zinc/27/71/23/343277123.db2.gz HUFUSTAOUGGSMK-SSDOTTSWSA-N 0 0 211.330 2.587 50 0 BFAARN O=C1CCCc2cc(Br)ccc2N1 ZINC000034978295 343282322 /nfs/dbraw/zinc/28/23/22/343282322.db2.gz RVPUXBJFIDCMLW-UHFFFAOYSA-N 0 0 240.100 2.724 50 0 BFAARN Cc1ccc(C)n1NC(=O)c1cccs1 ZINC000000608829 178511060 /nfs/dbraw/zinc/51/10/60/178511060.db2.gz YHRPLDJZBVUBBP-UHFFFAOYSA-N 0 0 220.297 2.550 50 0 BFAARN C[C@@H](C[NH2+]CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000035616590 343300981 /nfs/dbraw/zinc/30/09/81/343300981.db2.gz KISTVFSTSLWWPD-NSHDSACASA-N 0 0 249.354 2.762 50 0 BFAARN Cc1c(C=O)c(C=O)c(C)n1-c1ccc(F)cc1 ZINC000036245386 343313048 /nfs/dbraw/zinc/31/30/48/343313048.db2.gz KMNQEDJFCIGVAF-UHFFFAOYSA-N 0 0 245.253 2.858 50 0 BFAARN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000038339192 343373652 /nfs/dbraw/zinc/37/36/52/343373652.db2.gz YEKYAQUJESJBFI-AOOOYVTPSA-N 0 0 239.315 2.508 50 0 BFAARN Nc1c(OC(F)(F)F)ccc2ncccc12 ZINC000038537320 343376692 /nfs/dbraw/zinc/37/66/92/343376692.db2.gz LQSPPETUJPXBHI-UHFFFAOYSA-N 0 0 228.173 2.716 50 0 BFAARN CCc1c(Br)[nH]c(C)c1C(C)=O ZINC000037624174 343349915 /nfs/dbraw/zinc/34/99/15/343349915.db2.gz QWTRBOQNKDTABP-UHFFFAOYSA-N 0 0 230.105 2.851 50 0 BFAARN Cc1cnn(-c2cccc(Br)c2)c1 ZINC000037676729 343350928 /nfs/dbraw/zinc/35/09/28/343350928.db2.gz OBLMLPKXOANXKE-UHFFFAOYSA-N 0 0 237.100 2.943 50 0 BFAARN Cc1ccc(N)cc1C(=O)c1ccccc1 ZINC000039109087 343384880 /nfs/dbraw/zinc/38/48/80/343384880.db2.gz RQADOEBDTNZYLE-UHFFFAOYSA-N 0 0 211.264 2.808 50 0 BFAARN O=C1CCc2c1cccc2C(F)(F)F ZINC000039952002 343393850 /nfs/dbraw/zinc/39/38/50/343393850.db2.gz LJVBFMQEZSEGRL-UHFFFAOYSA-N 0 0 200.159 2.834 50 0 BFAARN O=C1CCc2ccc(C(F)(F)F)cc21 ZINC000039952003 343393902 /nfs/dbraw/zinc/39/39/02/343393902.db2.gz IGDFHUWAXWFKMW-UHFFFAOYSA-N 0 0 200.159 2.834 50 0 BFAARN CCc1n[nH]c2cc(Br)ccc21 ZINC000040434543 343402934 /nfs/dbraw/zinc/40/29/34/343402934.db2.gz XZRBYJWQQQBHLP-UHFFFAOYSA-N 0 0 225.089 2.888 50 0 BFAARN Clc1ncc2c(n1)-c1ccccc1CC2 ZINC000040449712 343404146 /nfs/dbraw/zinc/40/41/46/343404146.db2.gz NBVWPKBPZNKRDG-UHFFFAOYSA-N 0 0 216.671 2.896 50 0 BFAARN CC(C)C(=O)NC(C)(C)Cc1ccccc1 ZINC000040620951 343407047 /nfs/dbraw/zinc/40/70/47/343407047.db2.gz PPSCSOROTIYBTE-UHFFFAOYSA-N 0 0 219.328 2.780 50 0 BFAARN CC(C)C(=O)NCCSCc1ccccc1 ZINC000041008040 343412670 /nfs/dbraw/zinc/41/26/70/343412670.db2.gz HRQCTPTZOWSYOY-UHFFFAOYSA-N 0 0 237.368 2.692 50 0 BFAARN Clc1nc(-c2cccnc2)nc2c1CCC2 ZINC000042400212 343436691 /nfs/dbraw/zinc/43/66/91/343436691.db2.gz SCTJKAUVNFUNMG-UHFFFAOYSA-N 0 0 231.686 2.681 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2cc(C=O)ccc21 ZINC000042684549 343447556 /nfs/dbraw/zinc/44/75/56/343447556.db2.gz BXALJGGFHGKPIM-UHFFFAOYSA-N 0 0 247.294 2.797 50 0 BFAARN Clc1cncc(N2CCc3ccccc32)n1 ZINC000042783565 343453700 /nfs/dbraw/zinc/45/37/00/343453700.db2.gz YKPZAKYRTAWOBF-UHFFFAOYSA-N 0 0 231.686 2.824 50 0 BFAARN CCOc1c(Cl)cc(F)cc1C=O ZINC000042784090 343453792 /nfs/dbraw/zinc/45/37/92/343453792.db2.gz YMQHBZMWPAQIGU-UHFFFAOYSA-N 0 0 202.612 2.690 50 0 BFAARN Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CC(=O)[O-])cc1 ZINC000262671206 136374741 /nfs/dbraw/zinc/37/47/41/136374741.db2.gz RRXZMDYELSYBEX-ZIAGYGMSSA-N 0 0 247.338 2.648 50 0 BFAARN CC(=O)Cc1cc(F)ccc1Br ZINC000043502025 343475858 /nfs/dbraw/zinc/47/58/58/343475858.db2.gz FZXAXUNTVGVLFF-UHFFFAOYSA-N 0 0 231.064 2.720 50 0 BFAARN Cc1ccc(C(=O)c2ccccc2C)cn1 ZINC000045029054 343521436 /nfs/dbraw/zinc/52/14/36/343521436.db2.gz JPWCYMZUASSVGS-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN Cc1ccnc(C(=O)c2cc(F)ccc2F)c1 ZINC000045028629 343521469 /nfs/dbraw/zinc/52/14/69/343521469.db2.gz VJVKKKYBWCDICO-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CCCCCNC(=O)NC(C)(C)C1CC1 ZINC000072312627 343534496 /nfs/dbraw/zinc/53/44/96/343534496.db2.gz URKFFRUUOSMAHP-UHFFFAOYSA-N 0 0 212.337 2.664 50 0 BFAARN CCOc1cccc(CNC(=O)C2CCCC2)c1 ZINC000048325249 343577706 /nfs/dbraw/zinc/57/77/06/343577706.db2.gz IGZDRRRKMOUALP-UHFFFAOYSA-N 0 0 247.338 2.892 50 0 BFAARN Cc1ccc(CN(C)C(=O)c2ccsc2)o1 ZINC000039976124 178544238 /nfs/dbraw/zinc/54/42/38/178544238.db2.gz GIOZFWNGIONPFW-UHFFFAOYSA-N 0 0 235.308 2.922 50 0 BFAARN CC(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000048951012 343590998 /nfs/dbraw/zinc/59/09/98/343590998.db2.gz NGRKVVBOWZINSH-UHFFFAOYSA-N 0 0 223.703 2.855 50 0 BFAARN Cc1ccc(CN(C)c2nc(C3CC3)ns2)o1 ZINC000089656003 178557806 /nfs/dbraw/zinc/55/78/06/178557806.db2.gz HGFLMTQTOXBBER-UHFFFAOYSA-N 0 0 249.339 2.953 50 0 BFAARN COC(=O)CCc1ccc(Br)cc1 ZINC000049588514 343603972 /nfs/dbraw/zinc/60/39/72/343603972.db2.gz FKPYNBFWCSTPOT-UHFFFAOYSA-N 0 0 243.100 2.555 50 0 BFAARN Cc1cccc(-c2n[nH]c(Br)n2)c1 ZINC000049584897 343604007 /nfs/dbraw/zinc/60/40/07/343604007.db2.gz JSJNGBMYTOUBGI-UHFFFAOYSA-N 0 0 238.088 2.543 50 0 BFAARN Nc1ccccc1C1=N[C@H](c2ccc[nH]2)N=N1 ZINC000198455739 343670596 /nfs/dbraw/zinc/67/05/96/343670596.db2.gz NVXKDMAFACKOOL-LBPRGKRZSA-N 0 0 225.255 2.508 50 0 BFAARN CC[C@@H]1CCCCN1Cc1nc(C(C)C)no1 ZINC000058283214 343699161 /nfs/dbraw/zinc/69/91/61/343699161.db2.gz DJTRACPYZPTPKN-LLVKDONJSA-N 0 0 237.347 2.958 50 0 BFAARN CC[C@@H](S[C@@H](C)C(N)=O)c1ccccc1 ZINC000096433445 343738479 /nfs/dbraw/zinc/73/84/79/343738479.db2.gz SPKWWCUKZDHUEG-GXSJLCMTSA-N 0 0 223.341 2.745 50 0 BFAARN Cc1cnc(NC(=O)C2(C)CCCC2)s1 ZINC000060626700 343719659 /nfs/dbraw/zinc/71/96/59/343719659.db2.gz YBTBKOOHPBLPGB-UHFFFAOYSA-N 0 0 224.329 2.970 50 0 BFAARN O=C(Nc1ccc2c(c1)NCCC2)c1ccoc1 ZINC000069052980 537810174 /nfs/dbraw/zinc/81/01/74/537810174.db2.gz QSEQYHDODHMHSP-UHFFFAOYSA-N 0 0 242.278 2.890 50 0 BFAARN O=C1C=CC(=O)N1c1cccc(-c2ccccc2)c1 ZINC000000522492 346973254 /nfs/dbraw/zinc/97/32/54/346973254.db2.gz QQAJYNGNBJIZPR-UHFFFAOYSA-N 0 0 249.269 2.783 50 0 BFAARN O=Cc1cc2c(cc1-c1ccccc1)OCO2 ZINC000021950878 343824117 /nfs/dbraw/zinc/82/41/17/343824117.db2.gz BKQHZVKIZMLDBW-UHFFFAOYSA-N 0 0 226.231 2.895 50 0 BFAARN CCC[C@H]1Cc2c(sc3ncnc(N)c32)CO1 ZINC000000554680 347004854 /nfs/dbraw/zinc/00/48/54/347004854.db2.gz OGDJSFCPWSUYOZ-ZETCQYMHSA-N 0 0 249.339 2.515 50 0 BFAARN CC[C@@H]1Nc2ccccc2[C@@H]2OCC[C@H]21 ZINC000393695380 343911215 /nfs/dbraw/zinc/91/12/15/343911215.db2.gz GUSGKWWFAZQHTF-GVXVVHGQSA-N 0 0 203.285 2.968 50 0 BFAARN CCc1nc(C)c(C(=O)NCC2=CCCCC2)o1 ZINC000067833878 343906112 /nfs/dbraw/zinc/90/61/12/343906112.db2.gz LYYYXFCFHSUCCV-UHFFFAOYSA-N 0 0 248.326 2.776 50 0 BFAARN O=C(C=C1CCC1)OCc1ccnc(Cl)c1 ZINC000079075406 344106711 /nfs/dbraw/zinc/10/67/11/344106711.db2.gz DVJZGZRXKNQRML-UHFFFAOYSA-N 0 0 237.686 2.889 50 0 BFAARN CC(=O)Nc1c2ccccc2oc1C(=O)C1CC1 ZINC000000051445 344100370 /nfs/dbraw/zinc/10/03/70/344100370.db2.gz LIAKCFBDSHURGT-UHFFFAOYSA-N 0 0 243.262 2.984 50 0 BFAARN CCOc1ccc(-c2c[nH]c(=S)nc2N)cc1 ZINC000000051974 344101593 /nfs/dbraw/zinc/10/15/93/344101593.db2.gz CYNOTKORQCOUKC-UHFFFAOYSA-N 0 0 247.323 2.787 50 0 BFAARN CC1(C)OC(=O)c2ccc(Br)cc21 ZINC000088190218 344142347 /nfs/dbraw/zinc/14/23/47/344142347.db2.gz JYFGZJHNKDPESK-UHFFFAOYSA-N 0 0 241.084 2.855 50 0 BFAARN O=C(CCSc1ccccc1)NCC1CC1 ZINC000043752378 344143127 /nfs/dbraw/zinc/14/31/27/344143127.db2.gz NGKRUXQQYTXTDV-UHFFFAOYSA-N 0 0 235.352 2.695 50 0 BFAARN Cc1ccc(C)c(Cn2cc(C3CC3)nn2)c1 ZINC000585147799 344211216 /nfs/dbraw/zinc/21/12/16/344211216.db2.gz XIOFUVFRAAAXPF-UHFFFAOYSA-N 0 0 227.311 2.821 50 0 BFAARN CC[C@@H](O)Cc1cc(C)c2ccc(OC)cc2n1 ZINC000091486937 344281299 /nfs/dbraw/zinc/28/12/99/344281299.db2.gz WQTFZTUHKIFADY-GFCCVEGCSA-N 0 0 245.322 2.865 50 0 BFAARN O=C1CS[C@@H]2N1CCCC21CCCCC1 ZINC000000078972 344242427 /nfs/dbraw/zinc/24/24/27/344242427.db2.gz ISJMFHPGCYLYSR-NSHDSACASA-N 0 0 225.357 2.632 50 0 biogenic BFAARN C[C@@]12CCCC[C@@H]1c1ccccc1C(=O)N2 ZINC000000093603 344332100 /nfs/dbraw/zinc/33/21/00/344332100.db2.gz OILHGVNUGYSDRQ-TZMCWYRMSA-N 0 0 215.296 2.846 50 0 BFAARN Cc1ccc2cccc(OC(=O)N(C)C)c2n1 ZINC000000107094 344543983 /nfs/dbraw/zinc/54/39/83/344543983.db2.gz TZAGLORYJOOAGN-UHFFFAOYSA-N 0 0 230.267 2.604 50 0 BFAARN Cc1[nH]c2ccc(C(=O)n3ccnc3)cc2c1C ZINC000000115340 344550449 /nfs/dbraw/zinc/55/04/49/344550449.db2.gz HSXYXEJHGDLYEG-UHFFFAOYSA-N 0 0 239.278 2.670 50 0 BFAARN Fc1ccc(-c2nc(-c3ccncc3)no2)cc1 ZINC000000238239 344655014 /nfs/dbraw/zinc/65/50/14/344655014.db2.gz JDDICPYQLDWSMT-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN Cc1ccc(I)cc1 ZINC000001003750 178693145 /nfs/dbraw/zinc/69/31/45/178693145.db2.gz UDHAWRUAECEBHC-UHFFFAOYSA-N 0 0 218.037 2.600 50 0 BFAARN CCCC(=O)N[C@H](C)c1nc2ccccc2n1C ZINC000000200695 344636900 /nfs/dbraw/zinc/63/69/00/344636900.db2.gz LPBOGNDRJBAMMV-SNVBAGLBSA-N 0 0 245.326 2.551 50 0 BFAARN CC[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccccc1 ZINC000000226614 344648983 /nfs/dbraw/zinc/64/89/83/344648983.db2.gz BXCYIBCBVGYMFT-RYUDHWBXSA-N 0 0 246.306 2.906 50 0 BFAARN Cc1oncc1C(=O)Nc1cc(F)ccc1C ZINC000000385575 344739531 /nfs/dbraw/zinc/73/95/31/344739531.db2.gz AIRGPPGBZQIOKS-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN Fc1cccc(-c2nnc(-c3cccnc3)o2)c1 ZINC000000385520 344739588 /nfs/dbraw/zinc/73/95/88/344739588.db2.gz KNZQZZQWXDSSQE-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN Cc1ccc(NC(=O)CN2CCCCC2)c(C)c1 ZINC000004851741 344742616 /nfs/dbraw/zinc/74/26/16/344742616.db2.gz QVLVWAPNNHZUCG-UHFFFAOYSA-N 0 0 246.354 2.728 50 0 BFAARN CCOc1ccnc(OCC)c1Br ZINC000000343450 344712260 /nfs/dbraw/zinc/71/22/60/344712260.db2.gz FNHIIFXGVLDQAE-UHFFFAOYSA-N 0 0 246.104 2.642 50 0 BFAARN Cc1ccc(NC(=O)N(C)CC(F)F)cc1 ZINC000103502076 178731508 /nfs/dbraw/zinc/73/15/08/178731508.db2.gz MQTWFRUFAAKCDS-UHFFFAOYSA-N 0 0 228.242 2.724 50 0 BFAARN Cc1nn(C)c(C)c1C(=O)Nc1ccc(C)cc1 ZINC000012902604 178751920 /nfs/dbraw/zinc/75/19/20/178751920.db2.gz UQXZDMYOZKNEQW-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN Cc1ccc(NC(=S)N(C)C)cc1C ZINC000006488059 178755562 /nfs/dbraw/zinc/75/55/62/178755562.db2.gz WFIGMVFPEZTTAO-UHFFFAOYSA-N 0 0 208.330 2.562 50 0 BFAARN Cc1ccc(NC(=S)N(C)C)cc1Cl ZINC000006488181 178755699 /nfs/dbraw/zinc/75/56/99/178755699.db2.gz IOSRDCDJNGRQKT-UHFFFAOYSA-N 0 0 228.748 2.907 50 0 BFAARN O=C(c1cc2ccccc2[nH]1)c1cccnc1 ZINC000000387465 344880812 /nfs/dbraw/zinc/88/08/12/344880812.db2.gz ZCHZHQMOGWAOGA-UHFFFAOYSA-N 0 0 222.247 2.794 50 0 BFAARN Cc1ccc2c(c1)S[C@H](C(=O)NCC1CC1)C2 ZINC000025574720 537871831 /nfs/dbraw/zinc/87/18/31/537871831.db2.gz HXLUIXFGOKTADG-ZDUSSCGKSA-N 0 0 247.363 2.538 50 0 BFAARN CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O ZINC000005094652 344944793 /nfs/dbraw/zinc/94/47/93/344944793.db2.gz IGXHINBGLNQNOR-PAUBHIBZSA-N 0 0 245.303 2.909 50 0 BFAARN Cc1ccc(O)c(NC(=O)c2ccco2)c1 ZINC000004197706 178801672 /nfs/dbraw/zinc/80/16/72/178801672.db2.gz RLKAWJIZIHNQHZ-UHFFFAOYSA-N 0 0 217.224 2.546 50 0 BFAARN Cc1ccc(OC(=O)OC(C)(C)C)cn1 ZINC000095939446 178807913 /nfs/dbraw/zinc/80/79/13/178807913.db2.gz GUDBTMKEQADNSO-UHFFFAOYSA-N 0 0 209.245 2.704 50 0 BFAARN Cc1ccc(OC(=O)c2ccco2)cc1 ZINC000000349117 178808920 /nfs/dbraw/zinc/80/89/20/178808920.db2.gz QVMFBPKUWRBOGY-UHFFFAOYSA-N 0 0 202.209 2.807 50 0 BFAARN COc1ncc(Cl)cc1C(F)(F)F ZINC000238412822 345043334 /nfs/dbraw/zinc/04/33/34/345043334.db2.gz ZCGCNGDYDGKBFK-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN Cc1ccc(S(=O)(=O)C(C)(C)C)cc1 ZINC000000399390 178822002 /nfs/dbraw/zinc/82/20/02/178822002.db2.gz BNOXKZIHCOIFLF-UHFFFAOYSA-N 0 0 212.314 2.567 50 0 BFAARN Cc1ccc(S[C@@H](C)C(=O)N(C)C)cc1C ZINC000072276968 178829337 /nfs/dbraw/zinc/82/93/37/178829337.db2.gz XTRQBDWQJQFLEJ-NSHDSACASA-N 0 0 237.368 2.872 50 0 BFAARN CC1CCC(NC(=O)Cc2cccs2)CC1 ZINC000006263603 537894006 /nfs/dbraw/zinc/89/40/06/537894006.db2.gz KJGNCRIUFKIAOR-UHFFFAOYSA-N 0 0 237.368 2.986 50 0 BFAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2)cc1 ZINC000000165044 178878291 /nfs/dbraw/zinc/87/82/91/178878291.db2.gz ZRJPAELTYZGKSY-AWEZNQCLSA-N 0 0 238.290 2.849 50 0 BFAARN O=C(O[C@H]1CCc2cccnc21)c1ccoc1 ZINC000189319096 345604838 /nfs/dbraw/zinc/60/48/38/345604838.db2.gz LTOJPZNRRWFSKW-NSHDSACASA-N 0 0 229.235 2.519 50 0 BFAARN CC(C)CCn1nccc1Br ZINC000137313168 345604862 /nfs/dbraw/zinc/60/48/62/345604862.db2.gz RNGHEMIXRBETRH-UHFFFAOYSA-N 0 0 217.110 2.692 50 0 BFAARN CCO/C(C)=C1\c2ccccc2N(CC)C1=O ZINC000000448300 345770189 /nfs/dbraw/zinc/77/01/89/345770189.db2.gz VKVADPZCTOTQSQ-JLHYYAGUSA-N 0 0 231.295 2.821 50 0 BFAARN Cc1ccc2c(c1)C(=O)C(=O)N2CCC(C)C ZINC000005234395 178943408 /nfs/dbraw/zinc/94/34/08/178943408.db2.gz WBZHTFMJRFJFFQ-UHFFFAOYSA-N 0 0 231.295 2.570 50 0 biogenic BFAARN CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086789843 345938262 /nfs/dbraw/zinc/93/82/62/345938262.db2.gz IABIVNTXVLRPMJ-STQMWFEESA-N 0 0 233.311 2.544 50 0 BFAARN CCCC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000004283262 168542050 /nfs/dbraw/zinc/54/20/50/168542050.db2.gz QOZDRNWTEGOGFA-UHFFFAOYSA-N 0 0 242.322 2.853 50 0 biogenic BFAARN Cc1ccc(Cn2cnc(C)c(C)c2=O)cc1C ZINC000192141124 346080303 /nfs/dbraw/zinc/08/03/03/346080303.db2.gz AIDDCKKCEBIGJI-UHFFFAOYSA-N 0 0 242.322 2.525 50 0 BFAARN Cc1cc(C)n(C(=O)[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000005362249 346198717 /nfs/dbraw/zinc/19/87/17/346198717.db2.gz KJGRIGIQDLUOEA-KGLIPLIRSA-N 0 0 240.306 2.944 50 0 BFAARN Cc1cccc(-c2nc(C(C)C)no2)c1N ZINC000021512112 178995773 /nfs/dbraw/zinc/99/57/73/178995773.db2.gz SVEYVRHGDODIAY-UHFFFAOYSA-N 0 0 217.272 2.751 50 0 BFAARN Cc1cc(C)n(C(=O)[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000005362248 346198392 /nfs/dbraw/zinc/19/83/92/346198392.db2.gz KJGRIGIQDLUOEA-UONOGXRCSA-N 0 0 240.306 2.944 50 0 BFAARN CCOc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000005549911 346251672 /nfs/dbraw/zinc/25/16/72/346251672.db2.gz ZJAVBYKBTGDYSK-UHFFFAOYSA-N 0 0 223.663 2.524 50 0 BFAARN CCN(CC)c1cc(-c2cnc(N)s2)ccn1 ZINC000095629743 346252572 /nfs/dbraw/zinc/25/25/72/346252572.db2.gz SOEUQEYBSLNBFB-UHFFFAOYSA-N 0 0 248.355 2.634 50 0 BFAARN Cc1cccc(C(=O)NC2CC(F)(F)C2)c1 ZINC000276972308 179014342 /nfs/dbraw/zinc/01/43/42/179014342.db2.gz FYQMCPZNSPOEJM-UHFFFAOYSA-N 0 0 225.238 2.523 50 0 BFAARN COc1cc(C)c(NC(=O)C2CCC2)cc1OC ZINC000005616838 346283999 /nfs/dbraw/zinc/28/39/99/346283999.db2.gz SFFQKBDHQJUPCQ-UHFFFAOYSA-N 0 0 249.310 2.751 50 0 BFAARN COc1cc(C)c(NC(=O)[C@@H]2C[C@@H]2C)cc1OC ZINC000005616886 346284262 /nfs/dbraw/zinc/28/42/62/346284262.db2.gz CAUMHHMSEMESFJ-WCBMZHEXSA-N 0 0 249.310 2.607 50 0 BFAARN Cc1cccc(C(=O)N[C@H](C)c2ccccn2)c1 ZINC000012539145 179023621 /nfs/dbraw/zinc/02/36/21/179023621.db2.gz IIVWARPLGXNSML-GFCCVEGCSA-N 0 0 240.306 2.881 50 0 BFAARN COC(=O)c1ccc(N(C)C)c(C(C)(C)C)c1 ZINC000005383791 346262814 /nfs/dbraw/zinc/26/28/14/346262814.db2.gz OUASUKTUXAQPNB-UHFFFAOYSA-N 0 0 235.327 2.837 50 0 BFAARN Cc1cc(NC(=O)c2cccc(C)c2)no1 ZINC000000369258 179025128 /nfs/dbraw/zinc/02/51/28/179025128.db2.gz IDIKVDYYAOEQRC-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN Cc1nn(C)c(C)c1NC(=O)c1cccc(C)c1 ZINC000028573205 179025274 /nfs/dbraw/zinc/02/52/74/179025274.db2.gz CPZPDXPKTRZWLR-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN O=C(C1CCCC1)N1CCOc2ccc(F)cc21 ZINC000062570832 346281855 /nfs/dbraw/zinc/28/18/55/346281855.db2.gz IFDGCFVQXIVIAO-UHFFFAOYSA-N 0 0 249.285 2.741 50 0 BFAARN Nc1ccnc(Sc2ccccc2)c1 ZINC000005647653 346295889 /nfs/dbraw/zinc/29/58/89/346295889.db2.gz QTHRLAXTADMPEC-UHFFFAOYSA-N 0 0 202.282 2.815 50 0 BFAARN CCOC(=O)C(F)(F)c1cccc(C)c1 ZINC000052232672 346297956 /nfs/dbraw/zinc/29/79/56/346297956.db2.gz BSPBLKJZDFLMCO-UHFFFAOYSA-N 0 0 214.211 2.650 50 0 BFAARN Cc1cccc(C(=O)c2cnccc2C)c1 ZINC000045028988 179027039 /nfs/dbraw/zinc/02/70/39/179027039.db2.gz KJMXXHJCGXQFJQ-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN Cc1cccc(C)c1NC(=O)NC1CC1 ZINC000000397753 179040468 /nfs/dbraw/zinc/04/04/68/179040468.db2.gz HCQVLHIDPHPCPA-UHFFFAOYSA-N 0 0 204.273 2.587 50 0 BFAARN CCc1ccnc(NC(=O)c2cccs2)c1 ZINC000000148392 346400852 /nfs/dbraw/zinc/40/08/52/346400852.db2.gz XMGSGEBTYXZJPN-UHFFFAOYSA-N 0 0 232.308 2.958 50 0 BFAARN c1csc(-c2nc(N3CCCCC3)no2)c1 ZINC000000171546 346401908 /nfs/dbraw/zinc/40/19/08/346401908.db2.gz IAJOEQNWEYPADK-UHFFFAOYSA-N 0 0 235.312 2.788 50 0 BFAARN Fc1ccc(C2=CSC3=NCCN23)cc1F ZINC000000092374 346403489 /nfs/dbraw/zinc/40/34/89/346403489.db2.gz QOZSAERQBLSHJF-UHFFFAOYSA-N 0 0 238.262 2.682 50 0 BFAARN Cc1occc1C(=O)n1cnc2ccccc21 ZINC000000476549 346391048 /nfs/dbraw/zinc/39/10/48/346391048.db2.gz RNMFONOAMBWBCU-UHFFFAOYSA-N 0 0 226.235 2.626 50 0 BFAARN CCN(CC)C(=O)Nc1cccc(C)c1 ZINC000000395302 346416391 /nfs/dbraw/zinc/41/63/91/346416391.db2.gz GUGHLWLSPZRAGF-UHFFFAOYSA-N 0 0 206.289 2.869 50 0 BFAARN CN(C)c1ncnc2sc3c(c21)CCCC3 ZINC000000406381 346418701 /nfs/dbraw/zinc/41/87/01/346418701.db2.gz QMTYZDOKFYNPJL-UHFFFAOYSA-N 0 0 233.340 2.636 50 0 BFAARN CSc1ccccc1C(=O)NCC(C)C ZINC000000582866 346420763 /nfs/dbraw/zinc/42/07/63/346420763.db2.gz WOQDGJPVRLDNTI-UHFFFAOYSA-N 0 0 223.341 2.794 50 0 BFAARN CCCC(=O)N[C@H](CC)Cc1ccccc1 ZINC000003095031 168559907 /nfs/dbraw/zinc/55/99/07/168559907.db2.gz LPCHKHUWDBSQJO-CYBMUJFWSA-N 0 0 219.328 2.924 50 0 BFAARN CCCC[C@@H](CC)CNC(=O)OCC ZINC000002757269 346531896 /nfs/dbraw/zinc/53/18/96/346531896.db2.gz IZQLXUAFAGUBOC-SNVBAGLBSA-N 0 0 201.310 2.949 50 0 BFAARN CC(C)(C)NC(=O)Nc1ccccc1F ZINC000002889963 346537736 /nfs/dbraw/zinc/53/77/36/346537736.db2.gz DDTVOMSZLMSUJV-UHFFFAOYSA-N 0 0 210.252 2.746 50 0 BFAARN Cc1cccc(N)c1S[C@@H]1CCCC[C@H]1O ZINC000000553526 179120881 /nfs/dbraw/zinc/12/08/81/179120881.db2.gz LJGIJNFBHPWGCW-VXGBXAGGSA-N 0 0 237.368 2.973 50 0 BFAARN Cc1cccc(N2CCC3(CCC3)C2)n1 ZINC000097096487 179122946 /nfs/dbraw/zinc/12/29/46/179122946.db2.gz RRGYKHNVKFUCSY-UHFFFAOYSA-N 0 0 202.301 2.770 50 0 BFAARN O=C(Oc1cncc(Cl)c1)c1ccco1 ZINC000004419293 346602929 /nfs/dbraw/zinc/60/29/29/346602929.db2.gz DWJOEJDGHVXXEB-UHFFFAOYSA-N 0 0 223.615 2.547 50 0 BFAARN C/C=C/C=C/C(=O)Nc1ccc(OC)cc1 ZINC000006406327 346649320 /nfs/dbraw/zinc/64/93/20/346649320.db2.gz WETPQORNHOEBRM-VNKDHWASSA-N 0 0 217.268 2.766 50 0 BFAARN Cc1cccc(NC(=O)N[C@H](C)C2CC2)c1 ZINC000023584918 179136407 /nfs/dbraw/zinc/13/64/07/179136407.db2.gz SFIHLXCIKRERFR-SNVBAGLBSA-N 0 0 218.300 2.915 50 0 BFAARN Cc1cccc(NC(=O)COCC(F)(F)F)c1 ZINC000036391870 179129322 /nfs/dbraw/zinc/12/93/22/179129322.db2.gz GICHXFHFMVFZKG-UHFFFAOYSA-N 0 0 247.216 2.512 50 0 BFAARN Cc1cccc(NC(=O)C[C@@H](C)n2cccn2)c1 ZINC000020991036 179129471 /nfs/dbraw/zinc/12/94/71/179129471.db2.gz JPRXRSGLDWGUKF-GFCCVEGCSA-N 0 0 243.310 2.781 50 0 BFAARN CC[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1 ZINC000003158853 346668659 /nfs/dbraw/zinc/66/86/59/346668659.db2.gz ZQFKSKGWRUVUNX-PFEDMVJOSA-N 0 0 233.311 2.623 50 0 BFAARN CSc1nnc2c(n1)[nH]c1c2cccc1C ZINC000005730771 346627308 /nfs/dbraw/zinc/62/73/08/346627308.db2.gz OSUVBCRFXBJDKL-UHFFFAOYSA-N 0 0 230.296 2.536 50 0 BFAARN CCCC1N=NC(=S)N1c1ccccc1 ZINC000005822854 346632063 /nfs/dbraw/zinc/63/20/63/346632063.db2.gz VCAFSRUHGDHWPK-UHFFFAOYSA-N 0 0 219.313 2.509 50 0 BFAARN Cc1cccc(NC(=O)NCC2CC2)c1 ZINC000000157638 179133418 /nfs/dbraw/zinc/13/34/18/179133418.db2.gz WVSJDRNPYKWQLX-UHFFFAOYSA-N 0 0 204.273 2.527 50 0 BFAARN Cc1cccc(N[C@@H](C)C(=O)NCC(C)C)c1 ZINC000020312495 179153563 /nfs/dbraw/zinc/15/35/63/179153563.db2.gz IVJPADYYZFCBLQ-LBPRGKRZSA-N 0 0 234.343 2.568 50 0 BFAARN Cc1nc2ncnc(Nc3cccc(C)c3)c2[nH]1 ZINC000041121314 179159716 /nfs/dbraw/zinc/15/97/16/179159716.db2.gz LDEOXHKBGUWGID-UHFFFAOYSA-N 0 0 239.282 2.713 50 0 BFAARN CCCC(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000029066113 168565374 /nfs/dbraw/zinc/56/53/74/168565374.db2.gz YEHQICNUOSQZRD-UHFFFAOYSA-N 0 0 246.314 2.751 50 0 BFAARN Cc1cccc(OCc2ccc(C(N)=O)cc2)c1 ZINC000012982006 179172462 /nfs/dbraw/zinc/17/24/62/179172462.db2.gz YIDQTELFGRYSEX-UHFFFAOYSA-N 0 0 241.290 2.673 50 0 BFAARN Cc1cccc(O[C@@H](C)C(=O)NCC(C)C)c1 ZINC000048090013 179173990 /nfs/dbraw/zinc/17/39/90/179173990.db2.gz AIJXDTNSJMOWRC-LBPRGKRZSA-N 0 0 235.327 2.535 50 0 BFAARN Cc1cccc(Oc2cc(C[NH3+])ccn2)c1C ZINC000022166704 179175691 /nfs/dbraw/zinc/17/56/91/179175691.db2.gz ISAJYANLQVWDBG-UHFFFAOYSA-N 0 0 228.295 2.949 50 0 BFAARN Cc1cccc(SCCn2cccn2)c1 ZINC000120998482 179177404 /nfs/dbraw/zinc/17/74/04/179177404.db2.gz QEXXYSGUKLEWRS-UHFFFAOYSA-N 0 0 218.325 2.984 50 0 BFAARN Cc1cccc([C@@H](NC(N)=O)c2ccccc2)c1 ZINC000000437672 179186678 /nfs/dbraw/zinc/18/66/78/179186678.db2.gz IWCPEIGEKXEZCI-AWEZNQCLSA-N 0 0 240.306 2.753 50 0 BFAARN Cc1nc(CO[C@H]2CCCc3c[nH]nc32)oc1C ZINC000188930842 347292423 /nfs/dbraw/zinc/29/24/23/347292423.db2.gz QEJZYKDKSMCAFC-NSHDSACASA-N 0 0 247.298 2.609 50 0 BFAARN Cc1cccc([C@@H]2Nc3ccccc3C(=O)N2)c1 ZINC000000410192 179205566 /nfs/dbraw/zinc/20/55/66/179205566.db2.gz IZRZUJFPYGNHRH-CQSZACIVSA-N 0 0 238.290 2.849 50 0 BFAARN Cc1cccc2c1nc(-c1ccccc1)[nH]c2=O ZINC000016577257 179208053 /nfs/dbraw/zinc/20/80/53/179208053.db2.gz WLZJEOODSSBWMB-UHFFFAOYSA-N 0 0 236.274 2.899 50 0 in-vivo BFAARN COC(=O)Cc1cccc2nc(Cl)ccc12 ZINC000149575996 347334815 /nfs/dbraw/zinc/33/48/15/347334815.db2.gz KIBPKLUZEUVGKV-UHFFFAOYSA-N 0 0 235.670 2.604 50 0 BFAARN CCCC(=O)c1cc(OC)cc(OC)c1 ZINC000071773862 168570952 /nfs/dbraw/zinc/57/09/52/168570952.db2.gz FJDZRFNDHLKABM-UHFFFAOYSA-N 0 0 208.257 2.687 50 0 BFAARN Cc1cccc2c1N[C@@H](c1ccsc1)NC2=O ZINC000027578175 179219794 /nfs/dbraw/zinc/21/97/94/179219794.db2.gz NJVSZTSFVWNGTQ-GFCCVEGCSA-N 0 0 244.319 2.911 50 0 BFAARN Cc1cccc2c1Oc1c(N)cccc1NC2=O ZINC000098086472 179221863 /nfs/dbraw/zinc/22/18/63/179221863.db2.gz IKOHHHBLLJNDMU-UHFFFAOYSA-N 0 0 240.262 2.935 50 0 BFAARN CC[C@@H](C)C(=O)N[C@H]1CCCc2occc21 ZINC000012913636 347475134 /nfs/dbraw/zinc/47/51/34/347475134.db2.gz GJDNNABSILAWNY-KOLCDFICSA-N 0 0 221.300 2.819 50 0 BFAARN Cc1ccccc1C(=O)N[C@@H](C)c1ccccn1 ZINC000032973746 179251537 /nfs/dbraw/zinc/25/15/37/179251537.db2.gz ZINHXDWFJYDCRI-LBPRGKRZSA-N 0 0 240.306 2.881 50 0 BFAARN Cc1ccccc1C(=O)Nc1ccncc1 ZINC000000406453 179251934 /nfs/dbraw/zinc/25/19/34/179251934.db2.gz IPNZONAZPKLNST-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN Cc1ccccc1C(=O)Nc1cc(N)ccc1F ZINC000019736551 179252228 /nfs/dbraw/zinc/25/22/28/179252228.db2.gz ILMWHMXUSMTJFB-UHFFFAOYSA-N 0 0 244.269 2.969 50 0 BFAARN Cc1ccccc1C(=O)N[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000002978832 179252622 /nfs/dbraw/zinc/25/26/22/179252622.db2.gz ZTIONCYYHVIAPN-DYEKYZERSA-N 0 0 229.323 2.913 50 0 BFAARN Cc1ccccc1C(=O)c1ncccc1C ZINC000045028655 179253515 /nfs/dbraw/zinc/25/35/15/179253515.db2.gz SLDJUGFYTZKKGA-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN Cc1ccccc1CCNC(=O)c1ccoc1 ZINC000008945964 179265764 /nfs/dbraw/zinc/26/57/64/179265764.db2.gz BYDBZILAFVVYID-UHFFFAOYSA-N 0 0 229.279 2.561 50 0 BFAARN Cc1ccc2c(c1)CCN(C(=O)[C@@H]1C[C@@H]1C)C2 ZINC000195579990 347641895 /nfs/dbraw/zinc/64/18/95/347641895.db2.gz ORPIDZYVJJRZGX-SMDDNHRTSA-N 0 0 229.323 2.536 50 0 BFAARN C[C@H](SCCC(C)(C)C)C(=O)NC1CC1 ZINC000195573136 347648138 /nfs/dbraw/zinc/64/81/38/347648138.db2.gz AKTVMJPEKDCWAP-VIFPVBQESA-N 0 0 229.389 2.823 50 0 BFAARN Oc1cccc(NCc2ccc3c[nH]nc3c2)c1 ZINC000195576033 347648541 /nfs/dbraw/zinc/64/85/41/347648541.db2.gz OXESMNHAZICMEM-UHFFFAOYSA-N 0 0 239.278 2.881 50 0 BFAARN Cc1ccccc1CSc1nnc(N)s1 ZINC000005943160 179287687 /nfs/dbraw/zinc/28/76/87/179287687.db2.gz XBMJFEKPHIRGMM-UHFFFAOYSA-N 0 0 237.353 2.721 50 0 BFAARN Cc1ccccc1NC(=O)NCc1ccncc1 ZINC000005588553 179300781 /nfs/dbraw/zinc/30/07/81/179300781.db2.gz WORQUQKXORRTDO-UHFFFAOYSA-N 0 0 241.294 2.712 50 0 BFAARN Cc1ccccc1NC(=O)NCc1ccccn1 ZINC000000480148 179300927 /nfs/dbraw/zinc/30/09/27/179300927.db2.gz OHNYGZBRLOVACF-UHFFFAOYSA-N 0 0 241.294 2.712 50 0 BFAARN Cc1ccccc1OC(=O)c1cccnc1 ZINC000000351304 179309630 /nfs/dbraw/zinc/30/96/30/179309630.db2.gz TVPAWAZKOGPPAE-UHFFFAOYSA-N 0 0 213.236 2.609 50 0 BFAARN Cc1ccccc1NCn1nnc2ccccc21 ZINC000000366072 179306211 /nfs/dbraw/zinc/30/62/11/179306211.db2.gz HHSROGBHAMTLIO-UHFFFAOYSA-N 0 0 238.294 2.809 50 0 BFAARN Cc1ccccc1O[C@H](C)C(=O)NC(C)(C)C ZINC000033359530 179312512 /nfs/dbraw/zinc/31/25/12/179312512.db2.gz MVWQRDNQGCYDLY-LLVKDONJSA-N 0 0 235.327 2.677 50 0 BFAARN Cc1n[nH]cc1C[NH2+][C@H](C)c1ccccc1C ZINC000037878785 179321277 /nfs/dbraw/zinc/32/12/77/179321277.db2.gz BIMLXZQAGWDUMP-GFCCVEGCSA-N 0 0 229.327 2.877 50 0 BFAARN CC(C)c1c(Cl)nc2c(F)cccn2c1=O ZINC000725244005 537995904 /nfs/dbraw/zinc/99/59/04/537995904.db2.gz CMTJJBBBDUWYJE-UHFFFAOYSA-N 0 0 240.665 2.610 50 0 BFAARN Cc1ccccc1[S@](=O)c1ccccn1 ZINC000005784833 179352547 /nfs/dbraw/zinc/35/25/47/179352547.db2.gz AUARSJQNSXZDJK-OAHLLOKOSA-N 0 0 217.293 2.557 50 0 BFAARN Cc1cccn2cc(-c3ccc(N)cc3)nc12 ZINC000002455777 179354766 /nfs/dbraw/zinc/35/47/66/179354766.db2.gz GWBJQNMMOJBUIU-UHFFFAOYSA-N 0 0 223.279 2.892 50 0 BFAARN Cc1cccnc1NC(=O)C[C@H]1C=CCC1 ZINC000012528157 179391263 /nfs/dbraw/zinc/39/12/63/179391263.db2.gz PKCLXLVMOOWQFM-NSHDSACASA-N 0 0 216.284 2.685 50 0 BFAARN Cc1cccnc1NC(=O)OCC(F)(F)F ZINC000032628764 179392535 /nfs/dbraw/zinc/39/25/35/179392535.db2.gz RJCXRXWZWCLTIB-UHFFFAOYSA-N 0 0 234.177 2.501 50 0 BFAARN Cc1occc1C(=O)Nc1ncccc1C ZINC000005936239 179393301 /nfs/dbraw/zinc/39/33/01/179393301.db2.gz RVDBLHUQTAOJAS-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N1c2ccccc2C[C@H]1C ZINC000251751349 362905860 /nfs/dbraw/zinc/90/58/60/362905860.db2.gz LJAPGMXRDZGHSK-FOGDFJRCSA-N 0 0 215.296 2.620 50 0 BFAARN O=S(=O)(c1ccccc1)[C@H]1C=CCCC1 ZINC000005983527 362906527 /nfs/dbraw/zinc/90/65/27/362906527.db2.gz DIHRJKGTAFQMJV-LBPRGKRZSA-N 0 0 222.309 2.569 50 0 BFAARN CCCC1(CCC)O[C@@]1(CC)C(=O)OC ZINC000669382744 538004073 /nfs/dbraw/zinc/00/40/73/538004073.db2.gz LCLQJBPYZDHJIF-LBPRGKRZSA-N 0 0 214.305 2.677 50 0 BFAARN Cc1ccnc(NC(=O)CC2CCCC2)c1 ZINC000008723389 179435979 /nfs/dbraw/zinc/43/59/79/179435979.db2.gz WMACTFZICMCGTC-UHFFFAOYSA-N 0 0 218.300 2.909 50 0 BFAARN Cc1ccnc(NC(=O)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000097372790 179436968 /nfs/dbraw/zinc/43/69/68/179436968.db2.gz AANYGDVYYWPEBS-TXEJJXNPSA-N 0 0 245.326 2.654 50 0 BFAARN Cc1cnc(C)c(NCc2ccc(F)cc2)n1 ZINC000078429867 179581037 /nfs/dbraw/zinc/58/10/37/179581037.db2.gz POWJTOJEWALHBG-UHFFFAOYSA-N 0 0 231.274 2.845 50 0 BFAARN Cc1cncc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000089591487 179660969 /nfs/dbraw/zinc/66/09/69/179660969.db2.gz MTPCFRAABYGYGF-BETUJISGSA-N 0 0 244.338 2.652 50 0 BFAARN CC(=O)CC(=O)Nc1ccc(Cl)cc1C ZINC000000449314 187408053 /nfs/dbraw/zinc/40/80/53/187408053.db2.gz ODFRAIZRJMUPCP-UHFFFAOYSA-N 0 0 225.675 2.566 50 0 BFAARN CC(C)=C[C@@H]1[C@H](C(=O)NC2CC2)C1(C)C ZINC000012905696 187415386 /nfs/dbraw/zinc/41/53/86/187415386.db2.gz PADZZLZDZKMHPI-GHMZBOCLSA-N 0 0 207.317 2.503 50 0 BFAARN CC(C)C[C@@H](C)N(C)C(=O)CC[C@@H]1CCCO1 ZINC000040508847 187428652 /nfs/dbraw/zinc/42/86/52/187428652.db2.gz NDNVIEWESSBOOK-OLZOCXBDSA-N 0 0 241.375 2.839 50 0 BFAARN Cc1csc(NC(=O)[C@@H]2CC=CCC2)n1 ZINC000010554425 179787096 /nfs/dbraw/zinc/78/70/96/179787096.db2.gz ZVRMNQKQTAAMLF-SECBINFHSA-N 0 0 222.313 2.746 50 0 BFAARN COc1ccc(CNc2cncc(Cl)n2)cc1 ZINC000043534402 187432786 /nfs/dbraw/zinc/43/27/86/187432786.db2.gz XGBYFYFDBIZTCF-UHFFFAOYSA-N 0 0 249.701 2.751 50 0 BFAARN O=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)CN1 ZINC000211138749 349258248 /nfs/dbraw/zinc/25/82/48/349258248.db2.gz LGEVYJYGEQLUMF-SECBINFHSA-N 0 0 243.228 2.699 50 0 BFAARN Cc1nc(C(C)C)sc1C(=O)NCC1CC1 ZINC000032924496 179897776 /nfs/dbraw/zinc/89/77/76/179897776.db2.gz HGAUZLXUFZNXKI-UHFFFAOYSA-N 0 0 238.356 2.715 50 0 BFAARN Cc1nc(C(=O)NC2CCCCCCC2)co1 ZINC000022538470 179881367 /nfs/dbraw/zinc/88/13/67/179881367.db2.gz VCNHAQZSDYPPHS-UHFFFAOYSA-N 0 0 236.315 2.826 50 0 BFAARN O=C1Cc2c(cccc2OCc2ccccc2)N1 ZINC000145961860 349343771 /nfs/dbraw/zinc/34/37/71/349343771.db2.gz KMXQQIBTRJERJG-UHFFFAOYSA-N 0 0 239.274 2.760 50 0 BFAARN Cc1nc(-c2ccc(C=O)s2)cs1 ZINC000000158868 179864165 /nfs/dbraw/zinc/86/41/65/179864165.db2.gz OTEBKLSFEFZNAG-UHFFFAOYSA-N 0 0 209.295 2.993 50 0 BFAARN Cc1nc(-n2cccc2)sc1-c1cc[nH]n1 ZINC000221598259 179872535 /nfs/dbraw/zinc/87/25/35/179872535.db2.gz OKORIWBGRSBGRH-UHFFFAOYSA-N 0 0 230.296 2.632 50 0 BFAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)C2CC2)o1 ZINC000065516648 191001742 /nfs/dbraw/zinc/00/17/42/191001742.db2.gz JSBSTHQIWUGXDZ-ZWNOBZJWSA-N 0 0 247.338 2.956 50 0 BFAARN CC(C)N(C(=O)c1cccs1)C1CC1 ZINC000069416660 191002403 /nfs/dbraw/zinc/00/24/03/191002403.db2.gz NWZSBKBCVNFGOT-UHFFFAOYSA-N 0 0 209.314 2.761 50 0 BFAARN Cc1nc(CNc2nnc(C(C)C)o2)cs1 ZINC000097045382 179976167 /nfs/dbraw/zinc/97/61/67/179976167.db2.gz DGUZJKYDWQFCOB-UHFFFAOYSA-N 0 0 238.316 2.570 50 0 BFAARN Cc1nc(CNc2cccc3c2CCCC3)no1 ZINC000075108496 179976596 /nfs/dbraw/zinc/97/65/96/179976596.db2.gz BDGITVNIPPTMOC-UHFFFAOYSA-N 0 0 243.310 2.869 50 0 BFAARN Cc1nc([C@H]2CCCN2c2cnccn2)cs1 ZINC000275066577 180058351 /nfs/dbraw/zinc/05/83/51/180058351.db2.gz XXGBWEHSRWVVGS-LLVKDONJSA-N 0 0 246.339 2.583 50 0 BFAARN Cc1nc2c(cccc2Br)n1C ZINC000076209864 180060661 /nfs/dbraw/zinc/06/06/61/180060661.db2.gz AGBLMRVKDYCFRV-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Cc1nc2c(Cl)cc(Cl)cc2c(=O)o1 ZINC000000184788 180064821 /nfs/dbraw/zinc/06/48/21/180064821.db2.gz GKYRRPSGTKLVLS-UHFFFAOYSA-N 0 0 230.050 2.803 50 0 BFAARN Cc1nc2ncnc(Nc3ccc(F)cc3)c2[nH]1 ZINC000041120971 180066227 /nfs/dbraw/zinc/06/62/27/180066227.db2.gz XDFKHONWZMFECZ-UHFFFAOYSA-N 0 0 243.245 2.544 50 0 BFAARN Cc1nc2cc(-c3cc[nH]n3)ccc2s1 ZINC000067934942 180073876 /nfs/dbraw/zinc/07/38/76/180073876.db2.gz CZXCORXCFFLVEU-UHFFFAOYSA-N 0 0 215.281 2.995 50 0 BFAARN Cc1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000002242021 180074831 /nfs/dbraw/zinc/07/48/31/180074831.db2.gz ZKYXJDQWGJCALB-UHFFFAOYSA-N 0 0 244.323 2.526 50 0 BFAARN Cc1nc2ccc(Br)cc2o1 ZINC000034116596 180089839 /nfs/dbraw/zinc/08/98/39/180089839.db2.gz ZCGXHOLCXPKKBO-UHFFFAOYSA-N 0 0 212.046 2.899 50 0 BFAARN Cc1nc2c(ccc3nc(N)sc32)s1 ZINC000002455290 180069623 /nfs/dbraw/zinc/06/96/23/180069623.db2.gz UCLUWGOFEQZGBZ-UHFFFAOYSA-N 0 0 221.310 2.797 50 0 BFAARN Cc1nc2ccccc2c(C)c1C(=O)N(C)C ZINC000022461317 180101480 /nfs/dbraw/zinc/10/14/80/180101480.db2.gz ZCWOTOJOQITGJI-UHFFFAOYSA-N 0 0 228.295 2.553 50 0 BFAARN Clc1c[nH]c2nc(Cl)nc(Cl)c12 ZINC000059269083 187439486 /nfs/dbraw/zinc/43/94/86/187439486.db2.gz YUKWSCQSOXCSES-UHFFFAOYSA-N 0 0 222.462 2.918 50 0 BFAARN Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000020345643 180117474 /nfs/dbraw/zinc/11/74/74/180117474.db2.gz UDHBCVMVWIIEKJ-UHFFFAOYSA-N 0 0 232.264 2.553 50 0 BFAARN Cc1[nH]cnc1-c1c(-c2ccccc2)ncn1C ZINC000067605127 180119092 /nfs/dbraw/zinc/11/90/92/180119092.db2.gz ZWQHETODQRATNV-UHFFFAOYSA-N 0 0 238.294 2.786 50 0 BFAARN CCN(CC)C(=O)Sc1cc(O)ccc1O ZINC000023279840 350201228 /nfs/dbraw/zinc/20/12/28/350201228.db2.gz CWOWMWIATNBIPM-UHFFFAOYSA-N 0 0 241.312 2.652 50 0 BFAARN Cc1nccc(-c2cccc(-c3cc[nH]n3)c2)n1 ZINC000020906474 180180496 /nfs/dbraw/zinc/18/04/96/180180496.db2.gz RHLUXUCJHMOLOX-UHFFFAOYSA-N 0 0 236.278 2.842 50 0 BFAARN Cc1ncc2ncccc2c1Br ZINC000040169789 180180616 /nfs/dbraw/zinc/18/06/16/180180616.db2.gz OSXKPXRIFYUDBV-UHFFFAOYSA-N 0 0 223.073 2.701 50 0 BFAARN Cc1ncccc1C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000073188848 180210588 /nfs/dbraw/zinc/21/05/88/180210588.db2.gz JGNMFTJGKFFOIS-ZDUSSCGKSA-N 0 0 246.354 2.898 50 0 BFAARN Cc1ncccc1NC(=O)OCC(F)(F)F ZINC000085728357 180224979 /nfs/dbraw/zinc/22/49/79/180224979.db2.gz ZHUPPYHZODZSJC-UHFFFAOYSA-N 0 0 234.177 2.501 50 0 BFAARN Cc1ncccc1Oc1ncnc(Cl)c1C ZINC000040450066 180228259 /nfs/dbraw/zinc/22/82/59/180228259.db2.gz SLKKQWWYTQOOHM-UHFFFAOYSA-N 0 0 235.674 2.934 50 0 BFAARN Cc1nccn1-c1ccc(C(F)(F)F)cc1N ZINC000011535794 180229163 /nfs/dbraw/zinc/22/91/63/180229163.db2.gz LXUHLROZWSBJEL-UHFFFAOYSA-N 0 0 241.216 2.782 50 0 BFAARN CCC/C=C\C(=O)NCc1ccc(OC)cc1 ZINC000033531149 350239497 /nfs/dbraw/zinc/23/94/97/350239497.db2.gz MTZZOZYPXYQYJY-WAYWQWQTSA-N 0 0 233.311 2.668 50 0 BFAARN COC(=O)c1ccc(-c2ccc(C)nc2)s1 ZINC000725261232 538086072 /nfs/dbraw/zinc/08/60/72/538086072.db2.gz XXHJMUWNYYCPMN-UHFFFAOYSA-N 0 0 233.292 2.905 50 0 BFAARN COC(=O)c1c[nH]cc1-c1ccsc1 ZINC000034415442 350265886 /nfs/dbraw/zinc/26/58/86/350265886.db2.gz SWSHFLRSVDSMOT-UHFFFAOYSA-N 0 0 207.254 2.530 50 0 BFAARN CCCCC(=O)Nc1ccc(C(=O)OC)cc1C ZINC000013004499 168626369 /nfs/dbraw/zinc/62/63/69/168626369.db2.gz DWYSZNQTDBJAGJ-UHFFFAOYSA-N 0 0 249.310 2.910 50 0 BFAARN CC(C)n1nccc1-c1ccc2c(c1)OCCO2 ZINC000426519412 191095340 /nfs/dbraw/zinc/09/53/40/191095340.db2.gz YRCODHWTMWXIPN-UHFFFAOYSA-N 0 0 244.294 2.902 50 0 BFAARN CC(C)Cn1nccc1NC(=O)C1CCCC1 ZINC000040489389 350367740 /nfs/dbraw/zinc/36/77/40/350367740.db2.gz BGYXXKCUEGSSBX-UHFFFAOYSA-N 0 0 235.331 2.668 50 0 BFAARN O=C(CNc1ccccc1)c1ccccc1 ZINC000000873440 350346851 /nfs/dbraw/zinc/34/68/51/350346851.db2.gz BBFMQHFJAVOYJI-UHFFFAOYSA-N 0 0 211.264 2.981 50 0 BFAARN Cc1ncsc1-c1nc(-c2ccccn2)no1 ZINC000089565598 180301970 /nfs/dbraw/zinc/30/19/70/180301970.db2.gz PPIFGITXCPZFAJ-UHFFFAOYSA-N 0 0 244.279 2.564 50 0 BFAARN Cc1ncsc1C(=O)NCCC(C)(C)C ZINC000040534045 180303085 /nfs/dbraw/zinc/30/30/85/180303085.db2.gz FRDZCHURCNZNLK-UHFFFAOYSA-N 0 0 226.345 2.618 50 0 BFAARN Cc1ncsc1C(=O)N1Cc2ccccc2C1 ZINC000105977556 180304049 /nfs/dbraw/zinc/30/40/49/180304049.db2.gz LGTSARRFQJCFJW-UHFFFAOYSA-N 0 0 244.319 2.608 50 0 BFAARN CCSc1nnc(-c2ccccc2)n1C ZINC000028760511 350363235 /nfs/dbraw/zinc/36/32/35/350363235.db2.gz MWKWMNGWIBKDCM-UHFFFAOYSA-N 0 0 219.313 2.594 50 0 BFAARN Cc1nn(-c2ccccc2)c(C)c1N=O ZINC000004684227 180328850 /nfs/dbraw/zinc/32/88/50/180328850.db2.gz SCHFUNOUOHIHSX-UHFFFAOYSA-N 0 0 201.229 2.887 50 0 BFAARN Cc1nn(C(=O)NCCC(C)C)c2ccccc12 ZINC000035422279 180331961 /nfs/dbraw/zinc/33/19/61/180331961.db2.gz JWQKYGSLAKUMEF-UHFFFAOYSA-N 0 0 245.326 2.949 50 0 BFAARN CN1Cc2cc(-c3ccncc3)ccc2NC1=O ZINC000426590049 191099434 /nfs/dbraw/zinc/09/94/34/191099434.db2.gz WJDJEKKBRZLDEI-UHFFFAOYSA-N 0 0 239.278 2.726 50 0 BFAARN CC(=O)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001383423 350393095 /nfs/dbraw/zinc/39/30/95/350393095.db2.gz GGDAWUSJZZHVBR-UHFFFAOYSA-N 0 0 245.200 2.623 50 0 BFAARN CC(C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000001393206 350393873 /nfs/dbraw/zinc/39/38/73/350393873.db2.gz OXLUOLIRIUFVTL-UHFFFAOYSA-N 0 0 232.327 2.881 50 0 BFAARN Cc1nn(C)c(C)c1OCc1cccc(F)c1 ZINC000089512319 180347654 /nfs/dbraw/zinc/34/76/54/180347654.db2.gz RXNTVALJYLRMLT-UHFFFAOYSA-N 0 0 234.274 2.755 50 0 BFAARN Cc1nn(C)c(Cl)c1C(=O)c1ccccc1 ZINC000038888814 180349503 /nfs/dbraw/zinc/34/95/03/180349503.db2.gz ZJXIONUUCMIROS-UHFFFAOYSA-N 0 0 234.686 2.613 50 0 BFAARN Cc1nn(C)c(Cl)c1CNCc1ccccc1 ZINC000058157759 180351322 /nfs/dbraw/zinc/35/13/22/180351322.db2.gz RSVQYDXBAAWNHO-UHFFFAOYSA-N 0 0 249.745 2.672 50 0 BFAARN O=C(c1cc2c([nH]1)CCCC2)C(F)(F)F ZINC000032498050 350422882 /nfs/dbraw/zinc/42/28/82/350422882.db2.gz HDPKWBHYSKDNTF-UHFFFAOYSA-N 0 0 217.190 2.639 50 0 BFAARN Cc1c2c(nn1-c1ccccc1)c(C)nnc2C ZINC000019909611 180399130 /nfs/dbraw/zinc/39/91/30/180399130.db2.gz JQNROROAQAJZSM-UHFFFAOYSA-N 0 0 238.294 2.741 50 0 BFAARN O=Cc1cccc2cc(Br)cnc12 ZINC000134040845 191107737 /nfs/dbraw/zinc/10/77/37/191107737.db2.gz AXABLSRVYDFNNR-UHFFFAOYSA-N 0 0 236.068 2.810 50 0 BFAARN Cc1cc(O)ccc1NC(=O)Cc1ccccc1 ZINC000000092303 191107904 /nfs/dbraw/zinc/10/79/04/191107904.db2.gz CYCOVXXFVUENFN-UHFFFAOYSA-N 0 0 241.290 2.882 50 0 BFAARN CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000000158189 191107934 /nfs/dbraw/zinc/10/79/34/191107934.db2.gz KKNCMPFBSNHOCN-LLVKDONJSA-N 0 0 217.312 2.834 50 0 BFAARN C[C@@H]1CCC[C@@H](OCC(=O)N2CCCCC2)C1 ZINC000089927338 362963968 /nfs/dbraw/zinc/96/39/68/362963968.db2.gz AMKNCCICPVHDHK-CHWSQXEVSA-N 0 0 239.359 2.594 50 0 BFAARN Cc1nnc(CN[C@H](C)c2ccccc2)s1 ZINC000095984162 180414277 /nfs/dbraw/zinc/41/42/77/180414277.db2.gz DFGGYTZHCIYHQZ-SECBINFHSA-N 0 0 233.340 2.697 50 0 BFAARN CCSCC(=O)c1ccc(F)cc1F ZINC000037353161 362967871 /nfs/dbraw/zinc/96/78/71/362967871.db2.gz CIKBZFJCPPQZGF-UHFFFAOYSA-N 0 0 216.252 2.901 50 0 BFAARN CCOc1cccc(NC(=O)c2ccoc2C)n1 ZINC000076093407 362971122 /nfs/dbraw/zinc/97/11/22/362971122.db2.gz DLKSQPQRTFCQQZ-UHFFFAOYSA-N 0 0 246.266 2.634 50 0 BFAARN Cc1noc(C)c1CO[C@@H]1CCCc2c[nH]nc21 ZINC000188941326 180475012 /nfs/dbraw/zinc/47/50/12/180475012.db2.gz VFRWCTFVXWEJAP-GFCCVEGCSA-N 0 0 247.298 2.609 50 0 BFAARN CCC(=O)c1cc(F)cc(Cl)c1O ZINC000052068532 350901838 /nfs/dbraw/zinc/90/18/38/350901838.db2.gz HCELNKJJPMBWFG-UHFFFAOYSA-N 0 0 202.612 2.777 50 0 BFAARN Cc1occc1C(=O)N1CCCC[C@@H]1C ZINC000001480386 180536599 /nfs/dbraw/zinc/53/65/99/180536599.db2.gz KUOQNMUBBLLRIL-VIFPVBQESA-N 0 0 207.273 2.603 50 0 BFAARN Cc1ocnc1C(=O)N1c2ccccc2C[C@@H]1C ZINC000089556254 180547928 /nfs/dbraw/zinc/54/79/28/180547928.db2.gz WZRBQIUJXNCTKI-VIFPVBQESA-N 0 0 242.278 2.574 50 0 BFAARN CCCCOc1[nH]ccc(=O)c1Cl ZINC000261493489 351119044 /nfs/dbraw/zinc/11/90/44/351119044.db2.gz CAXPIVZZSOTKOV-UHFFFAOYSA-N 0 0 201.653 2.620 50 0 BFAARN Cc1sc(N)nc1-c1ccc(F)cc1F ZINC000014102506 180557995 /nfs/dbraw/zinc/55/79/95/180557995.db2.gz GFGIUHFSINVLBV-UHFFFAOYSA-N 0 0 226.251 2.979 50 0 BFAARN Cc1sc2[nH]c(=S)nc(N)c2c1C ZINC000012505519 180558877 /nfs/dbraw/zinc/55/88/77/180558877.db2.gz KCZSGPQKADVYRE-UHFFFAOYSA-N 0 0 211.315 2.553 50 0 BFAARN Cc1ccc(CN(C)C(=O)[C@H]2CC=CCC2)o1 ZINC000052987881 351165152 /nfs/dbraw/zinc/16/51/52/351165152.db2.gz TVKBLPDGPVWYAR-LBPRGKRZSA-N 0 0 233.311 2.903 50 0 BFAARN Clc1c2cc[nH]c2ncc1Br ZINC000019046174 180574208 /nfs/dbraw/zinc/57/42/08/180574208.db2.gz FMDQNRHKEYTVBW-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN CC(=O)Nc1sc(N)nc1-c1ccc(C)cc1 ZINC000169795013 187475445 /nfs/dbraw/zinc/47/54/45/187475445.db2.gz XOWNTCRNIUJPCJ-UHFFFAOYSA-N 0 0 247.323 2.659 50 0 BFAARN Clc1ccc(OCCNc2ncccn2)cc1 ZINC000039976591 180583908 /nfs/dbraw/zinc/58/39/08/180583908.db2.gz RQHBANMAMQCZMJ-UHFFFAOYSA-N 0 0 249.701 2.621 50 0 BFAARN Clc1ccc(Oc2cccc(Cl)n2)nn1 ZINC000075278183 180584503 /nfs/dbraw/zinc/58/45/03/180584503.db2.gz VNQATSXVEHFLCL-UHFFFAOYSA-N 0 0 242.065 2.971 50 0 BFAARN CCCC1N=NC(=S)N1C1CCCC1 ZINC000005855373 351269597 /nfs/dbraw/zinc/26/95/97/351269597.db2.gz JDFYBBITLSHYFT-UHFFFAOYSA-N 0 0 211.334 2.634 50 0 BFAARN Clc1cccc(NCC2CCOCC2)n1 ZINC000042784069 180591368 /nfs/dbraw/zinc/59/13/68/180591368.db2.gz ZODBSQFGZYSBRM-UHFFFAOYSA-N 0 0 226.707 2.574 50 0 BFAARN Clc1cncc(N2CCCCCC2)n1 ZINC000042783556 180599301 /nfs/dbraw/zinc/59/93/01/180599301.db2.gz UPIUWWQVYQXMQN-UHFFFAOYSA-N 0 0 211.696 2.510 50 0 BFAARN Clc1nc2ccccc2nc1N1CCCC1 ZINC000000161757 180601635 /nfs/dbraw/zinc/60/16/35/180601635.db2.gz WMISMJBLVOHZDE-UHFFFAOYSA-N 0 0 233.702 2.883 50 0 BFAARN Cn1cc(-c2cccc3ccccc32)c(=O)n1C ZINC000020064360 180627741 /nfs/dbraw/zinc/62/77/41/180627741.db2.gz YRDCKCLULPXDIR-UHFFFAOYSA-N 0 0 238.290 2.544 50 0 BFAARN CCCC(=O)Nc1nnc(-c2cccc(C)c2)o1 ZINC000012515717 351796564 /nfs/dbraw/zinc/79/65/64/351796564.db2.gz MZMKWEZALHJMJP-UHFFFAOYSA-N 0 0 245.282 2.784 50 0 BFAARN Cc1ncccc1-c1cccc(O)c1F ZINC000725269900 538101944 /nfs/dbraw/zinc/10/19/44/538101944.db2.gz AGVPJFBREDOORC-UHFFFAOYSA-N 0 0 203.216 2.902 50 0 BFAARN Cc1cc(C)cc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000003407279 352179672 /nfs/dbraw/zinc/17/96/72/352179672.db2.gz YVJFZFXJJRAQDO-CMPLNLGQSA-N 0 0 203.285 2.898 50 0 BFAARN COC(=O)CCCCCCCCCC(=O)OC ZINC000001555765 352186234 /nfs/dbraw/zinc/18/62/34/352186234.db2.gz LADJFIHHYMBJHB-UHFFFAOYSA-N 0 0 244.331 2.843 50 0 BFAARN COC(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000005997103 352318545 /nfs/dbraw/zinc/31/85/45/352318545.db2.gz SYPGJEURLIGNPE-UHFFFAOYSA-N 0 0 223.659 2.537 50 0 endogenous,in-man BFAARN Nc1ccc(Sc2ccncc2)c(F)c1 ZINC000003866600 352381205 /nfs/dbraw/zinc/38/12/05/352381205.db2.gz HLMXEPKYQORYHX-UHFFFAOYSA-N 0 0 220.272 2.954 50 0 BFAARN Cc1n[nH]cc1-c1ccc(Br)nc1 ZINC000725271497 538103469 /nfs/dbraw/zinc/10/34/69/538103469.db2.gz GVZYHXCWTUGGCE-UHFFFAOYSA-N 0 0 238.088 2.543 50 0 BFAARN Cn1cnnc1SCCCc1ccccc1 ZINC000044865766 352469254 /nfs/dbraw/zinc/46/92/54/352469254.db2.gz UYYRJAMUGIEWGI-UHFFFAOYSA-N 0 0 233.340 2.540 50 0 BFAARN C[C@@](N)(Cc1ccccc1)C(F)(F)F ZINC000307434758 352595053 /nfs/dbraw/zinc/59/50/53/352595053.db2.gz PELLNMJDXDTLMW-SECBINFHSA-N 0 0 203.207 2.509 50 0 BFAARN CC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000000030858 187755393 /nfs/dbraw/zinc/75/53/93/187755393.db2.gz UXFOKKJYLJZQMG-UHFFFAOYSA-N 0 0 234.299 2.630 50 0 BFAARN COc1ccc(C(=O)c2cccc(N)c2)cc1 ZINC000011757548 187760382 /nfs/dbraw/zinc/76/03/82/187760382.db2.gz GHHYIYWROJLOLU-UHFFFAOYSA-N 0 0 227.263 2.508 50 0 BFAARN Cc1cccc(C(=O)Oc2ccccc2)c1O ZINC000033506628 187766747 /nfs/dbraw/zinc/76/67/47/187766747.db2.gz YEBPMWUBZDANBU-UHFFFAOYSA-N 0 0 228.247 2.920 50 0 BFAARN CC(C)(C)C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000029910675 352671783 /nfs/dbraw/zinc/67/17/83/352671783.db2.gz NQBXPLXZRFRUJN-UHFFFAOYSA-N 0 0 243.310 2.857 50 0 BFAARN CC[C@@H]1C=CCN1C(=O)c1cc(C(C)C)on1 ZINC000065430497 187785792 /nfs/dbraw/zinc/78/57/92/187785792.db2.gz FRMXLWOJUAFSAX-SNVBAGLBSA-N 0 0 234.299 2.589 50 0 BFAARN COc1ccc(Cc2nnc(C)o2)cc1Cl ZINC000064556828 187785968 /nfs/dbraw/zinc/78/59/68/187785968.db2.gz XEDYRHURJFLNLA-UHFFFAOYSA-N 0 0 238.674 2.631 50 0 BFAARN C/C=C\COC(=O)c1ccc2c(c1)OCCCO2 ZINC000098054156 187802640 /nfs/dbraw/zinc/80/26/40/187802640.db2.gz KKVJWRONTKTGSX-IHWYPQMZSA-N 0 0 248.278 2.581 50 0 BFAARN Cc1ccc(SCC(=O)N2CCC2)c(C)c1 ZINC000012913961 187829160 /nfs/dbraw/zinc/82/91/60/187829160.db2.gz BZNAHBHNPNQQJC-UHFFFAOYSA-N 0 0 235.352 2.628 50 0 BFAARN Cc1ccc(/C=C\C(=O)NC(C)(C)C)o1 ZINC000033322081 187832967 /nfs/dbraw/zinc/83/29/67/187832967.db2.gz RZFOYJYEZBTLDY-FPLPWBNLSA-N 0 0 207.273 2.516 50 0 BFAARN CCCCCC[C@@H]1N=C(C)O[C@@H]1C(=O)OCC ZINC000002077679 168675982 /nfs/dbraw/zinc/67/59/82/168675982.db2.gz YTAGBHAZHZJPHG-RYUDHWBXSA-N 0 0 241.331 2.706 50 0 BFAARN Cn1nccc1-c1ccc(Br)cc1 ZINC000030677844 180828448 /nfs/dbraw/zinc/82/84/48/180828448.db2.gz CVCDEENQBMSJCX-UHFFFAOYSA-N 0 0 237.100 2.850 50 0 in-vitro BFAARN CC[N@@H+]1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000223011380 353114075 /nfs/dbraw/zinc/11/40/75/353114075.db2.gz PADVPBRJTQFIOC-ZDUSSCGKSA-N 0 0 233.311 2.584 50 0 BFAARN CC(=O)c1ccc(OCC(F)(F)F)cc1F ZINC000232564938 353133300 /nfs/dbraw/zinc/13/33/00/353133300.db2.gz MWVNRPNNLFYTAQ-UHFFFAOYSA-N 0 0 236.164 2.969 50 0 BFAARN O=S(=O)(C1=CCCC1)c1ccccc1 ZINC000032152112 188060187 /nfs/dbraw/zinc/06/01/87/188060187.db2.gz ARNVQXOIPFIQMR-UHFFFAOYSA-N 0 0 208.282 2.528 50 0 BFAARN CC(C)c1cc(NC(=O)c2ccccc2)n[nH]1 ZINC000049044538 353169681 /nfs/dbraw/zinc/16/96/81/353169681.db2.gz OKXCLZYXYFVSQK-UHFFFAOYSA-N 0 0 229.283 2.785 50 0 BFAARN CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000000092917 188098805 /nfs/dbraw/zinc/09/88/05/188098805.db2.gz DFDHFECLWHHELH-UHFFFAOYSA-N 0 0 203.163 2.664 50 0 BFAARN CC(=O)Nc1cccc(Br)c1C ZINC000000408693 188099360 /nfs/dbraw/zinc/09/93/60/188099360.db2.gz YYAPEVMVBWRSOD-UHFFFAOYSA-N 0 0 228.089 2.716 50 0 BFAARN Cc1nccn1CCOc1ccc(C)cc1C ZINC000000462243 188099714 /nfs/dbraw/zinc/09/97/14/188099714.db2.gz OTSMRWWPCAYOCP-UHFFFAOYSA-N 0 0 230.311 2.887 50 0 BFAARN Cc1ccc(Cl)cc1NC(=O)N(C)C ZINC000000395425 188099774 /nfs/dbraw/zinc/09/97/74/188099774.db2.gz WGHPKSCYIOZYDA-UHFFFAOYSA-N 0 0 212.680 2.742 50 0 BFAARN Cn1cnc2cc(NCc3ccncc3)ccc21 ZINC000000423363 188099952 /nfs/dbraw/zinc/09/99/52/188099952.db2.gz KZLNZDRCXMQRLE-UHFFFAOYSA-N 0 0 238.294 2.580 50 0 BFAARN Cc1cc(I)ccc1F ZINC000002560403 188100897 /nfs/dbraw/zinc/10/08/97/188100897.db2.gz DYQIYXDSKUUZRI-UHFFFAOYSA-N 0 0 236.027 2.739 50 0 BFAARN C[C@H]1CSc2sc(=O)sc2S1 ZINC000003174442 188101298 /nfs/dbraw/zinc/10/12/98/188101298.db2.gz QVNLBDIQCOVMAW-VKHMYHEASA-N 0 0 222.381 2.756 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000003433570 188101992 /nfs/dbraw/zinc/10/19/92/188101992.db2.gz LDOICKODKWUUEX-XCBNKYQSSA-N 0 0 209.676 2.935 50 0 BFAARN CC(=O)[C@H](C)Sc1nc2ccccc2o1 ZINC000035183484 188102108 /nfs/dbraw/zinc/10/21/08/188102108.db2.gz BOQPHDDEDPKYJY-QMMMGPOBSA-N 0 0 221.281 2.897 50 0 BFAARN COc1ccccc1NC(=O)[C@@H]1CC=CCC1 ZINC000009217774 188103993 /nfs/dbraw/zinc/10/39/93/188103993.db2.gz WXORALCNIQURQH-LLVKDONJSA-N 0 0 231.295 2.990 50 0 BFAARN Cc1cc(Cl)ccc1NCC(=O)NC(C)C ZINC000009155222 188104021 /nfs/dbraw/zinc/10/40/21/188104021.db2.gz OTDIBKXPPZJBHS-UHFFFAOYSA-N 0 0 240.734 2.585 50 0 BFAARN CC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000009115288 188104059 /nfs/dbraw/zinc/10/40/59/188104059.db2.gz NAQTUSJOIRQDLC-CYBMUJFWSA-N 0 0 245.326 2.786 50 0 BFAARN CC(=O)Nc1nc(-c2ccc(C)c(C)c2)c[nH]1 ZINC000012404842 188104716 /nfs/dbraw/zinc/10/47/16/188104716.db2.gz OXAHSFHHHNNPEM-UHFFFAOYSA-N 0 0 229.283 2.652 50 0 BFAARN CC(=O)c1ccc(Nc2cc(C)ncn2)cc1 ZINC000011902784 188104793 /nfs/dbraw/zinc/10/47/93/188104793.db2.gz WNUVHGWNBJSYDF-UHFFFAOYSA-N 0 0 227.267 2.731 50 0 BFAARN CC(=O)c1cc(Br)ccc1C ZINC000078224408 188086836 /nfs/dbraw/zinc/08/68/36/188086836.db2.gz ZNMVYUFRYQVCRD-UHFFFAOYSA-N 0 0 213.074 2.960 50 0 BFAARN Cc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 ZINC000016930420 188106748 /nfs/dbraw/zinc/10/67/48/188106748.db2.gz KTJROJRNPOWDGG-UHFFFAOYSA-N 0 0 227.185 2.855 50 0 BFAARN CC(C)(C)c1ccc2oc(CN)nc2c1 ZINC000019092234 188107253 /nfs/dbraw/zinc/10/72/53/188107253.db2.gz SIHHRUINFFFVPO-UHFFFAOYSA-N 0 0 204.273 2.584 50 0 BFAARN Clc1nc2ccsc2c(Cl)n1 ZINC000030678396 188110347 /nfs/dbraw/zinc/11/03/47/188110347.db2.gz AQECFYPZMBRCIA-UHFFFAOYSA-N 0 0 205.069 2.998 50 0 BFAARN Nc1cnc2ccccc2c1C(F)(F)F ZINC000036467305 188112589 /nfs/dbraw/zinc/11/25/89/188112589.db2.gz QWTAFNHRDFTUNP-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN FC(F)(F)C1=NCCNC(c2ccccc2)=C1 ZINC000000090508 180879009 /nfs/dbraw/zinc/87/90/09/180879009.db2.gz MTGUYKMVEUMQQY-UHFFFAOYSA-N 0 0 240.228 2.525 50 0 BFAARN CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000042672160 188120429 /nfs/dbraw/zinc/12/04/29/188120429.db2.gz ZLDMLIMVIUYQEV-ZETCQYMHSA-N 0 0 231.217 2.903 50 0 BFAARN Nc1cc(Cl)c(Cl)c(Cl)c1O ZINC000038892891 363207257 /nfs/dbraw/zinc/20/72/57/363207257.db2.gz FADPKOKICNFAMH-UHFFFAOYSA-N 0 0 212.463 2.935 50 0 BFAARN CC(C)Cc1noc(CN(C)C2CCCC2)n1 ZINC000042683927 188121169 /nfs/dbraw/zinc/12/11/69/188121169.db2.gz LJIGJWBNZPYQBV-UHFFFAOYSA-N 0 0 237.347 2.643 50 0 BFAARN Brc1nc(C2CC2)n2c1CCCC2 ZINC000084056617 188123807 /nfs/dbraw/zinc/12/38/07/188123807.db2.gz FAZQHJZXNATRRY-UHFFFAOYSA-N 0 0 241.132 2.859 50 0 BFAARN CC(C)CC(=O)N(C)[C@H](C)[C@H](O)c1ccccc1 ZINC000052514024 188126428 /nfs/dbraw/zinc/12/64/28/188126428.db2.gz INBVDWVAPFBTHE-DOMZBBRYSA-N 0 0 249.354 2.613 50 0 BFAARN C=CC(=O)NCc1cccnc1-c1ccccc1 ZINC000065171437 188129643 /nfs/dbraw/zinc/12/96/43/188129643.db2.gz LGKKWCNQXUUKFD-UHFFFAOYSA-N 0 0 238.290 2.551 50 0 BFAARN CSc1ncc2cnn(-c3ccccc3)c2n1 ZINC000085999754 188143338 /nfs/dbraw/zinc/14/33/38/188143338.db2.gz DXNDBPJAOFLMFZ-UHFFFAOYSA-N 0 0 242.307 2.537 50 0 BFAARN CC(=O)N(Cc1ccc(F)cc1)C(C)(C)C ZINC000123759254 188154442 /nfs/dbraw/zinc/15/44/42/188154442.db2.gz KRXXDNTYJZWLPQ-UHFFFAOYSA-N 0 0 223.291 2.973 50 0 BFAARN Cn1ncc(Br)c1-c1ccccc1 ZINC000000159060 188156007 /nfs/dbraw/zinc/15/60/07/188156007.db2.gz UUUUUDBHEZCADX-UHFFFAOYSA-N 0 0 237.100 2.850 50 0 BFAARN CC(=O)Nc1nc(COc2ccccc2)cs1 ZINC000004185943 188157076 /nfs/dbraw/zinc/15/70/76/188157076.db2.gz RNIHVKVHRCJGBB-UHFFFAOYSA-N 0 0 248.307 2.681 50 0 BFAARN CC(=O)OC[C@]12CO[C@H](C)[C@H](C1)C(C)=C[C@H]2C ZINC000004012223 188157424 /nfs/dbraw/zinc/15/74/24/188157424.db2.gz FLTREWUZEUGCGE-HBJVGIJOSA-N 0 0 238.327 2.557 50 0 biogenic BFAARN CC(=O)Nc1ccc(N(C)C(C)(C)C)cc1 ZINC000000346002 188158289 /nfs/dbraw/zinc/15/82/89/188158289.db2.gz SGMFGCCPHAEWSG-UHFFFAOYSA-N 0 0 220.316 2.880 50 0 BFAARN CC(C)C[C@@H](C)NC(=O)c1ccccc1 ZINC000000405214 188158310 /nfs/dbraw/zinc/15/83/10/188158310.db2.gz VFMMJMOYGNCONK-LLVKDONJSA-N 0 0 205.301 2.851 50 0 BFAARN CC(C)(C)Cc1nnc(NCc2ccco2)o1 ZINC000170592187 188161992 /nfs/dbraw/zinc/16/19/92/188161992.db2.gz XITLMXYIHLQXFT-UHFFFAOYSA-N 0 0 235.287 2.863 50 0 BFAARN CS[C@@H]1CCC[C@@H]1N(C)Cc1cscn1 ZINC000110642551 188162421 /nfs/dbraw/zinc/16/24/21/188162421.db2.gz UFHSOHOHLBRHHK-WDEREUQCSA-N 0 0 242.413 2.859 50 0 BFAARN CC1CCN(c2nc(Cl)c(C=O)s2)CC1 ZINC000012819789 188164468 /nfs/dbraw/zinc/16/44/68/188164468.db2.gz BCNHYMBBSBZDLI-UHFFFAOYSA-N 0 0 244.747 2.845 50 0 BFAARN FC(F)(F)c1ccncc1N1CCCC1 ZINC000095081172 180897162 /nfs/dbraw/zinc/89/71/62/180897162.db2.gz MUZNDJQBAPAJNK-UHFFFAOYSA-N 0 0 216.206 2.701 50 0 BFAARN CSc1nccc(Oc2ccccc2)n1 ZINC000017117826 188171461 /nfs/dbraw/zinc/17/14/61/188171461.db2.gz LEXAOEXBTWFQAO-UHFFFAOYSA-N 0 0 218.281 2.991 50 0 BFAARN CC(=O)Nc1sccc1C(=O)C(C)(C)C ZINC000098013347 188149097 /nfs/dbraw/zinc/14/90/97/188149097.db2.gz PSTNBMPCTXRYQZ-UHFFFAOYSA-N 0 0 225.313 2.935 50 0 BFAARN CC1(C)CCN1C(=O)c1cccc2cc[nH]c21 ZINC000098016245 188149298 /nfs/dbraw/zinc/14/92/98/188149298.db2.gz HTDUUEHBAGCDJM-UHFFFAOYSA-N 0 0 228.295 2.792 50 0 BFAARN CCc1cc(Br)cc(NC(C)=O)c1 ZINC000098181588 188149571 /nfs/dbraw/zinc/14/95/71/188149571.db2.gz PDRWHNPTNJWXLB-UHFFFAOYSA-N 0 0 242.116 2.970 50 0 BFAARN CC(=O)Nc1ccc(Cl)c2ncccc12 ZINC000032909739 188180992 /nfs/dbraw/zinc/18/09/92/188180992.db2.gz PQCINXDRCVRUDF-UHFFFAOYSA-N 0 0 220.659 2.847 50 0 BFAARN FC(F)c1ccc(Br)nc1 ZINC000071863924 180909248 /nfs/dbraw/zinc/90/92/48/180909248.db2.gz QUHDJDVFZSVUOH-UHFFFAOYSA-N 0 0 208.005 2.782 50 0 BFAARN CNc1cc(Br)cc(F)c1F ZINC000230540728 188186577 /nfs/dbraw/zinc/18/65/77/188186577.db2.gz VGEJGVZJYBNWMM-UHFFFAOYSA-N 0 0 222.032 2.769 50 0 BFAARN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000096454045 188188592 /nfs/dbraw/zinc/18/85/92/188188592.db2.gz VYPPPEXWROLDMF-MNOVXSKESA-N 0 0 243.347 2.572 50 0 BFAARN Cc1cccc(Oc2ccc(O)cn2)c1 ZINC000238501611 188192245 /nfs/dbraw/zinc/19/22/45/188192245.db2.gz IBZILJHYWZJMCH-UHFFFAOYSA-N 0 0 201.225 2.888 50 0 BFAARN FCCCn1ccnc1-c1cccs1 ZINC000162851300 180933142 /nfs/dbraw/zinc/93/31/42/180933142.db2.gz BIXXYCQIXHQECN-UHFFFAOYSA-N 0 0 210.277 2.971 50 0 BFAARN Clc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000001402369 353387196 /nfs/dbraw/zinc/38/71/96/353387196.db2.gz MPSPJPGYAHGRGY-UHFFFAOYSA-N 0 0 233.702 2.935 50 0 BFAARN Cc1ccc(Br)c2c1C(=O)CC2 ZINC000000407034 353418724 /nfs/dbraw/zinc/41/87/24/353418724.db2.gz NEKRLSMUSWQION-UHFFFAOYSA-N 0 0 225.085 2.886 50 0 BFAARN CC(=O)Nc1c2c(cc3c1CCC3)CCC2 ZINC000032212108 353419897 /nfs/dbraw/zinc/41/98/97/353419897.db2.gz FSJDNYQLNNWHJW-UHFFFAOYSA-N 0 0 215.296 2.622 50 0 BFAARN O=C1CCCc2c1cnn2-c1ccc(F)cc1 ZINC000006755155 353407682 /nfs/dbraw/zinc/40/76/82/353407682.db2.gz UDCUZAJVQJQLLW-UHFFFAOYSA-N 0 0 230.242 2.530 50 0 BFAARN Cc1ccc(CC(=O)Nc2cccnc2)cc1C ZINC000016625202 353415399 /nfs/dbraw/zinc/41/53/99/353415399.db2.gz PRDAHHIVOOBKDR-UHFFFAOYSA-N 0 0 240.306 2.880 50 0 BFAARN COc1ccc([C@@H](O)c2ccccc2)cc1OC ZINC000004255546 353529066 /nfs/dbraw/zinc/52/90/66/353529066.db2.gz YUSIFTKKBCLPAD-HNNXBMFYSA-N 0 0 244.290 2.786 50 0 BFAARN CC/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccccc1 ZINC000017131970 188460444 /nfs/dbraw/zinc/46/04/44/188460444.db2.gz RHYAVEIZPBVVQZ-INJWIWPUSA-N 0 0 247.294 2.523 50 0 BFAARN Cc1ccc(C)c(Cc2cnc(N)s2)c1 ZINC000020284175 188462712 /nfs/dbraw/zinc/46/27/12/188462712.db2.gz TYVJYOCDMLGBLE-UHFFFAOYSA-N 0 0 218.325 2.933 50 0 BFAARN CC(=O)Nc1ccc(Cl)cc1Cl ZINC000000128991 188452307 /nfs/dbraw/zinc/45/23/07/188452307.db2.gz GZSGTFDLLISMMA-UHFFFAOYSA-N 0 0 204.056 2.952 50 0 BFAARN Cc1c(Cl)cccc1NC(=O)C1CC1 ZINC000000070372 188452562 /nfs/dbraw/zinc/45/25/62/188452562.db2.gz HAARRYFYEBKUSK-UHFFFAOYSA-N 0 0 209.676 2.997 50 0 BFAARN Cn1cccc1[C@H]1CCCCCN1C(=O)C1CC1 ZINC000058344748 188485464 /nfs/dbraw/zinc/48/54/64/188485464.db2.gz LIRXIBVGSGWPQE-CQSZACIVSA-N 0 0 246.354 2.879 50 0 BFAARN Fc1cccc([C@H]2CCCN2c2cnccn2)c1 ZINC000298698053 181004053 /nfs/dbraw/zinc/00/40/53/181004053.db2.gz DSUHASCMBKOGNE-CYBMUJFWSA-N 0 0 243.285 2.957 50 0 BFAARN Fc1ccccc1NC1N=NC(=S)S1 ZINC000001722139 181014095 /nfs/dbraw/zinc/01/40/95/181014095.db2.gz YLDUFJAYNMXNSY-UHFFFAOYSA-N 0 0 227.289 2.710 50 0 BFAARN CC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000076510909 188492721 /nfs/dbraw/zinc/49/27/21/188492721.db2.gz QOYGJLCZJYYQLA-LLVKDONJSA-N 0 0 207.273 2.743 50 0 BFAARN Fc1ccccc1-c1nnc([C@H]2CCCO2)o1 ZINC000064556901 181008909 /nfs/dbraw/zinc/00/89/09/181008909.db2.gz VFTOFLVEPTYVCU-SNVBAGLBSA-N 0 0 234.230 2.727 50 0 BFAARN Fc1cccnc1N1CCOc2ccccc2C1 ZINC000084484599 181015826 /nfs/dbraw/zinc/01/58/26/181015826.db2.gz ZXBMFNVGEOSULK-UHFFFAOYSA-N 0 0 244.269 2.620 50 0 BFAARN Fc1cnc(Cl)cc1Br ZINC000008698173 181016680 /nfs/dbraw/zinc/01/66/80/181016680.db2.gz ZRTWQQQUONAULI-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN Fc1cnc(Cl)nc1NC1CCCC1 ZINC000070461079 181017525 /nfs/dbraw/zinc/01/75/25/181017525.db2.gz HZWNTIIEAVMVKW-UHFFFAOYSA-N 0 0 215.659 2.624 50 0 BFAARN CC(=O)OC[C@]12CC=C(C)[C@H]([C@H](C)OC1)[C@@H]2C ZINC000001321613 188514577 /nfs/dbraw/zinc/51/45/77/188514577.db2.gz KSCMOJQRHWGLDT-IMIFBBOLSA-N 0 0 238.327 2.557 50 0 biogenic BFAARN Fc1cncc(Br)c1Cl ZINC000095763735 181019352 /nfs/dbraw/zinc/01/93/52/181019352.db2.gz DGAXTZFGBOIDAB-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN O=C1NC(=O)C(=CC=Cc2ccccc2)S1 ZINC000012433056 188522977 /nfs/dbraw/zinc/52/29/77/188522977.db2.gz XABHYXPBBJGVRA-NIQHGUSQSA-N 0 0 231.276 2.567 50 0 BFAARN Cc1ccc(C)c(NC(=O)C(C)(C)C)n1 ZINC000214470432 188536676 /nfs/dbraw/zinc/53/66/76/188536676.db2.gz JEEUXDSIBQARBY-UHFFFAOYSA-N 0 0 206.289 2.683 50 0 BFAARN Cc1ccc(Cc2noc([C@H]3CCCO3)n2)cc1 ZINC000225590094 188538210 /nfs/dbraw/zinc/53/82/10/188538210.db2.gz ATOHSQPBZDGUTI-GFCCVEGCSA-N 0 0 244.294 2.820 50 0 BFAARN Cc1ccc(NC(=O)c2cccn2C)cc1 ZINC000002665024 363343790 /nfs/dbraw/zinc/34/37/90/363343790.db2.gz TYJSHQZRALPZEK-UHFFFAOYSA-N 0 0 214.268 2.586 50 0 BFAARN C[C@H](N(C)C(=O)c1ccoc1)C(C)(C)C ZINC000032788213 354580871 /nfs/dbraw/zinc/58/08/71/354580871.db2.gz HPSBRUGMTNLNNS-VIFPVBQESA-N 0 0 209.289 2.786 50 0 BFAARN O=C(C=C1CCCCC1)NCc1ccc[nH]1 ZINC000074123610 355236750 /nfs/dbraw/zinc/23/67/50/355236750.db2.gz WJFTZGREZAEJOB-UHFFFAOYSA-N 0 0 218.300 2.521 50 0 BFAARN CC[C@@H](C)NC(=O)/C=C/c1cccs1 ZINC000005447483 355357904 /nfs/dbraw/zinc/35/79/04/355357904.db2.gz QGOXWQRHIFKHEA-XCODYQFDSA-N 0 0 209.314 2.676 50 0 BFAARN Nc1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000001439835 355361117 /nfs/dbraw/zinc/36/11/17/355361117.db2.gz SUXCRRZYROZECQ-QMMMGPOBSA-N 0 0 202.084 2.930 50 0 BFAARN N=C(NC(=O)c1ccc(F)cc1)c1ccsc1 ZINC000095452483 181197928 /nfs/dbraw/zinc/19/79/28/181197928.db2.gz DSJROARSSNJZIT-UHFFFAOYSA-N 0 0 248.282 2.643 50 0 BFAARN CC(C)c1ccc(NC(=O)Cn2ccnc2)cc1 ZINC000001459407 355770482 /nfs/dbraw/zinc/77/04/82/355770482.db2.gz NTEKDQGPPPJOSM-UHFFFAOYSA-N 0 0 243.310 2.645 50 0 BFAARN CC[C@@H](C)NC(=O)Cc1c[nH]c2ccccc12 ZINC000035128103 355840120 /nfs/dbraw/zinc/84/01/20/355840120.db2.gz RJIJGVXTOUCJNA-SNVBAGLBSA-N 0 0 230.311 2.625 50 0 BFAARN Cc1occc1C(=O)N1CCCC[C@H]1C ZINC000001480385 355857432 /nfs/dbraw/zinc/85/74/32/355857432.db2.gz KUOQNMUBBLLRIL-SECBINFHSA-N 0 0 207.273 2.603 50 0 BFAARN CC(C)[C@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 ZINC000049122478 355913780 /nfs/dbraw/zinc/91/37/80/355913780.db2.gz BQCWOMXEBAQYPW-LLVKDONJSA-N 0 0 240.734 2.929 50 0 BFAARN Clc1cnn(Cc2cc(-c3ccco3)on2)c1 ZINC000049065976 355889407 /nfs/dbraw/zinc/88/94/07/355889407.db2.gz TYRGUCZORNIPCY-UHFFFAOYSA-N 0 0 249.657 2.833 50 0 BFAARN NC(=O)CCCSc1ccc(Cl)cc1 ZINC000033434091 181222609 /nfs/dbraw/zinc/22/26/09/181222609.db2.gz PDQJDXIDXOSZNY-UHFFFAOYSA-N 0 0 229.732 2.698 50 0 BFAARN C[C@@H](C1CC1)N(C)C(=O)c1ccnc(Cl)c1 ZINC000035207623 356032670 /nfs/dbraw/zinc/03/26/70/356032670.db2.gz QNTLCNFGOKQPPU-QMMMGPOBSA-N 0 0 238.718 2.606 50 0 BFAARN NC(=O)CCSCc1ccc(Cl)c(F)c1 ZINC000190864914 181227115 /nfs/dbraw/zinc/22/71/15/181227115.db2.gz NHVXYGMMSQTFJD-UHFFFAOYSA-N 0 0 247.722 2.588 50 0 BFAARN NC(=O)Cc1ccccc1OCCC1CCCC1 ZINC000097103796 181247226 /nfs/dbraw/zinc/24/72/26/181247226.db2.gz VROHXNMBKKJUFO-UHFFFAOYSA-N 0 0 247.338 2.674 50 0 BFAARN NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000036720523 181262829 /nfs/dbraw/zinc/26/28/29/181262829.db2.gz LJSGLEVVMDHAGH-UHFFFAOYSA-N 0 0 238.596 2.849 50 0 BFAARN Cc1[nH]c2nccnc2c1-c1ccccc1 ZINC000032237743 356367373 /nfs/dbraw/zinc/36/73/73/356367373.db2.gz XGSGYOBYGOZIRN-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN COC(=O)Nc1cccc(Cl)c1OC ZINC000000398021 356358104 /nfs/dbraw/zinc/35/81/04/356358104.db2.gz UFRZDPPSCMCODA-UHFFFAOYSA-N 0 0 215.636 2.527 50 0 BFAARN CCCCS(=O)(=O)c1ccccc1C ZINC000002173002 356365160 /nfs/dbraw/zinc/36/51/60/356365160.db2.gz LQGYHUITDSQCOX-UHFFFAOYSA-N 0 0 212.314 2.569 50 0 BFAARN C/C=C/C(=O)Nc1cc(C)ccc1OC ZINC000002167669 356365395 /nfs/dbraw/zinc/36/53/95/356365395.db2.gz GMEPBVJSGBNAPH-SNAWJCMRSA-N 0 0 205.257 2.518 50 0 BFAARN Nc1ccccc1-c1cn2ccccc2n1 ZINC000045027551 356372252 /nfs/dbraw/zinc/37/22/52/356372252.db2.gz ARUHCDRGLVIGLO-UHFFFAOYSA-N 0 0 209.252 2.584 50 0 BFAARN COC(=O)Nc1cccc2c1CCCC2 ZINC000045069441 356372559 /nfs/dbraw/zinc/37/25/59/356372559.db2.gz KXQNRIPVFHZEEB-UHFFFAOYSA-N 0 0 205.257 2.744 50 0 BFAARN CC1(C)CC=C[C@@H]2[C@@H]3CC[C@H](O)C[C@H]3C(=O)C[C@@H]21 ZINC000071786952 356374758 /nfs/dbraw/zinc/37/47/58/356374758.db2.gz MTJMYAZFXJFQQG-QNSTZXKLSA-N 0 0 248.366 2.955 50 0 BFAARN CCOC(=O)c1ncoc1Cc1ccc(F)cc1 ZINC000059101854 356370530 /nfs/dbraw/zinc/37/05/30/356370530.db2.gz SJNMMCPQVMTFTJ-UHFFFAOYSA-N 0 0 249.241 2.581 50 0 BFAARN O=C(O[C@@H]1CCCS1)c1ccccc1 ZINC000043199193 356371249 /nfs/dbraw/zinc/37/12/49/356371249.db2.gz GFQZMGVKSGNWGT-JTQLQIEISA-N 0 0 208.282 2.697 50 0 BFAARN CSCc1cccc(C(=O)Nc2cn[nH]c2)c1 ZINC000035237722 356424218 /nfs/dbraw/zinc/42/42/18/356424218.db2.gz WLYMZIQKLWQICH-UHFFFAOYSA-N 0 0 247.323 2.525 50 0 BFAARN NC(=O)[C@@]1(c2ccccc2)C[C@H]1c1ccccc1 ZINC000051330286 181277504 /nfs/dbraw/zinc/27/75/04/181277504.db2.gz BUIVWFXITQHJJQ-GOEBONIOSA-N 0 0 237.302 2.597 50 0 BFAARN O=C(c1cc2cc(F)ccc2s1)N1CCC1 ZINC000012973787 363489085 /nfs/dbraw/zinc/48/90/85/363489085.db2.gz QELBRLOLGCLXSV-UHFFFAOYSA-N 0 0 235.283 2.886 50 0 BFAARN Cc1sc2ncnc(N3CCC3)c2c1C ZINC000012916847 356597199 /nfs/dbraw/zinc/59/71/99/356597199.db2.gz VCGHIWCJAMRTRW-UHFFFAOYSA-N 0 0 219.313 2.518 50 0 BFAARN C1CC1c1noc(N2CC[C@@H]3CCCC[C@H]32)n1 ZINC000089818726 538584553 /nfs/dbraw/zinc/58/45/53/538584553.db2.gz NPCVOFCJMBTDJU-GXSJLCMTSA-N 0 0 233.315 2.716 50 0 BFAARN O=C(C1CCCC1)N1CC[C@H]2CCCC[C@@H]21 ZINC000089818679 538584613 /nfs/dbraw/zinc/58/46/13/538584613.db2.gz XQYAVRQKNONDLS-YPMHNXCESA-N 0 0 221.344 2.968 50 0 BFAARN CNC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000092760128 538595415 /nfs/dbraw/zinc/59/54/15/538595415.db2.gz RKLNBHPNGJEPTR-ZFWWWQNUSA-N 0 0 244.338 2.727 50 0 BFAARN COc1cc(-c2ccc(C=O)cc2)ccn1 ZINC000133319566 538603026 /nfs/dbraw/zinc/60/30/26/538603026.db2.gz NYFCOPAJADZSLN-UHFFFAOYSA-N 0 0 213.236 2.570 50 0 BFAARN COc1cc(-c2cccc(C=O)c2)ccn1 ZINC000133319399 538603673 /nfs/dbraw/zinc/60/36/73/538603673.db2.gz PIWGCOUXPLKZEZ-UHFFFAOYSA-N 0 0 213.236 2.570 50 0 BFAARN C[C@@H](NC(=O)[C@@]1(C)CCCS1)C(C)(C)C ZINC000095449662 538606064 /nfs/dbraw/zinc/60/60/64/538606064.db2.gz HFYLYIMLPCZGMG-BXKDBHETSA-N 0 0 229.389 2.823 50 0 BFAARN CC[C@@H](C)S(=O)(=O)Nc1cccc(Cl)c1 ZINC000075106590 356835977 /nfs/dbraw/zinc/83/59/77/356835977.db2.gz LNRDLXIYUMZGGJ-MRVPVSSYSA-N 0 0 247.747 2.880 50 0 BFAARN Cc1nccn1C[C@@H](C)OC(=O)CC(C)(C)C ZINC000075109494 356841229 /nfs/dbraw/zinc/84/12/29/356841229.db2.gz WBOZSOHZUZVUJC-SNVBAGLBSA-N 0 0 238.331 2.559 50 0 BFAARN CC(=O)[C@]1(c2ccccc2)CCCCC1=O ZINC000075260240 356926751 /nfs/dbraw/zinc/92/67/51/356926751.db2.gz JZJALSLDDLQAID-AWEZNQCLSA-N 0 0 216.280 2.657 50 0 BFAARN Fc1ccc(NCc2cscn2)cc1 ZINC000040420057 356937126 /nfs/dbraw/zinc/93/71/26/356937126.db2.gz NHCHQKDVJNZPGK-UHFFFAOYSA-N 0 0 208.261 2.894 50 0 BFAARN O=CC1=CC(c2ccccc2)SC1=O ZINC000075279982 356938666 /nfs/dbraw/zinc/93/86/66/356938666.db2.gz USNJVGCWJLLUCU-UHFFFAOYSA-N 0 0 204.250 2.933 50 0 BFAARN Cc1cc(C(=O)Nc2ncccc2C)c(C)o1 ZINC000012538458 538759280 /nfs/dbraw/zinc/75/92/80/538759280.db2.gz HJJMOMBWBHVVGR-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN COc1ccc(-c2c(C)sc(=N)n2C)cc1 ZINC000000563570 356952907 /nfs/dbraw/zinc/95/29/07/356952907.db2.gz XVITYLXQQPTTCR-UHFFFAOYSA-N 0 0 234.324 2.550 50 0 BFAARN C[C@H](NC(=O)N1CCc2ccccc2C1)C1CC1 ZINC000012921983 538778257 /nfs/dbraw/zinc/77/82/57/538778257.db2.gz MYCDZAVKFICKRT-NSHDSACASA-N 0 0 244.338 2.553 50 0 BFAARN O=C(Nc1ccnn1C1CCCCC1)C1CC1 ZINC000012853124 538776044 /nfs/dbraw/zinc/77/60/44/538776044.db2.gz CBNKUZUENQTAOJ-UHFFFAOYSA-N 0 0 233.315 2.737 50 0 BFAARN C[C@@H](NC(=O)c1ccccn1)c1cccc(F)c1 ZINC000012864875 538776554 /nfs/dbraw/zinc/77/65/54/538776554.db2.gz WTJYALAUIZPDMT-SNVBAGLBSA-N 0 0 244.269 2.712 50 0 BFAARN C[C@H](NC(=O)c1ccncc1)c1cccc(F)c1 ZINC000012984522 538781495 /nfs/dbraw/zinc/78/14/95/538781495.db2.gz HGTYLQAFFRTFCS-JTQLQIEISA-N 0 0 244.269 2.712 50 0 BFAARN CC[C@H](CC[C@@H](C)O)C[C@H]1CCCO1 ZINC000000052614 357142429 /nfs/dbraw/zinc/14/24/29/357142429.db2.gz WRDHXNUNGYABFV-IJLUTSLNSA-N 0 0 200.322 2.743 50 0 BFAARN NC(=O)c1ccc(-c2ccsc2)cc1 ZINC000090585487 181292110 /nfs/dbraw/zinc/29/21/10/181292110.db2.gz RLJPHPTXSGNZTK-UHFFFAOYSA-N 0 0 203.266 2.514 50 0 BFAARN Cc1ccc(Nc2nc(C(N)=O)cs2)c(C)c1 ZINC000035596823 358002329 /nfs/dbraw/zinc/00/23/29/358002329.db2.gz JRFLEWYVNCFFBR-UHFFFAOYSA-N 0 0 247.323 2.602 50 0 BFAARN CCC[C@]1(CC)NC(=S)N(CCC(C)C)N1 ZINC000001241630 358115782 /nfs/dbraw/zinc/11/57/82/358115782.db2.gz ALHLILIAWJAVHP-GFCCVEGCSA-N 0 0 243.420 2.634 50 0 BFAARN O=C(Nc1ccsc1)N[C@H]1CC[C@@H](F)C1 ZINC000334237670 358222781 /nfs/dbraw/zinc/22/27/81/358222781.db2.gz LZOCVMAMZXCFGM-SFYZADRCSA-N 0 0 228.292 2.760 50 0 BFAARN CC(C)CO[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000040521079 359280649 /nfs/dbraw/zinc/28/06/49/359280649.db2.gz RAWADCJCELJGSK-SNVBAGLBSA-N 0 0 239.290 2.825 50 0 BFAARN CC[C@H]1CN(c2nc3ccccc3s2)CCO1 ZINC000075667507 359634099 /nfs/dbraw/zinc/63/40/99/359634099.db2.gz HJINJFKHVPDRMH-JTQLQIEISA-N 0 0 248.351 2.912 50 0 BFAARN CCCC(=O)Nc1ccccc1-n1ccnc1 ZINC000039338895 359647673 /nfs/dbraw/zinc/64/76/73/359647673.db2.gz WTYYZJDYWJCCTH-UHFFFAOYSA-N 0 0 229.283 2.611 50 0 BFAARN CC(C)(C)C(=O)NC1CCC(F)(F)CC1 ZINC000334143092 166528092 /nfs/dbraw/zinc/52/80/92/166528092.db2.gz PPTYSMAMWGFWTE-UHFFFAOYSA-N 0 0 219.275 2.727 50 0 BFAARN O=C(c1ccco1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000006508922 359781664 /nfs/dbraw/zinc/78/16/64/359781664.db2.gz QIQAHLBGQNWKTC-MRVPVSSYSA-N 0 0 247.216 2.694 50 0 BFAARN C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCCC1 ZINC000089927775 360048785 /nfs/dbraw/zinc/04/87/85/360048785.db2.gz OLZBBEOFDPPCHI-OLZOCXBDSA-N 0 0 239.359 2.594 50 0 BFAARN CC(C)(C)C(=O)Nc1ccc(C2CC2)nc1 ZINC000091690511 166533731 /nfs/dbraw/zinc/53/37/31/166533731.db2.gz SXHNGUCNLNARHJ-UHFFFAOYSA-N 0 0 218.300 2.944 50 0 BFAARN CC1(C)OC(=O)N2CCc3sccc3[C@]21C ZINC000006668434 360560734 /nfs/dbraw/zinc/56/07/34/360560734.db2.gz MLLISFAQTWSGPF-LBPRGKRZSA-N 0 0 237.324 2.750 50 0 BFAARN Cc1ccncc1NC(=O)Nc1cnccc1C ZINC000169451988 360546175 /nfs/dbraw/zinc/54/61/75/360546175.db2.gz ZUNZURQKAVXTKM-UHFFFAOYSA-N 0 0 242.282 2.737 50 0 BFAARN NC(=O)c1cccc(COc2ccc(F)cc2)c1 ZINC000047461174 181303896 /nfs/dbraw/zinc/30/38/96/181303896.db2.gz GDUFBSMXZJLMKJ-UHFFFAOYSA-N 0 0 245.253 2.504 50 0 BFAARN CC[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccccc1 ZINC000006726775 360681167 /nfs/dbraw/zinc/68/11/67/360681167.db2.gz YMQQSDJUYGKVDD-DRZSPHRISA-N 0 0 217.312 2.910 50 0 BFAARN NC(=O)c1ccnc(NC2CCCCCCC2)c1 ZINC000064337475 181307340 /nfs/dbraw/zinc/30/73/40/181307340.db2.gz ZBEASXKNKPPXDM-UHFFFAOYSA-N 0 0 247.342 2.705 50 0 BFAARN NC(=S)Cc1c(Cl)cccc1Cl ZINC000000118682 181316075 /nfs/dbraw/zinc/31/60/75/181316075.db2.gz FBAMANMRMUDYNM-UHFFFAOYSA-N 0 0 220.124 2.822 50 0 BFAARN NC(=S)c1ccc(-c2ccc(O)cc2)cc1 ZINC000083356892 181320771 /nfs/dbraw/zinc/32/07/71/181320771.db2.gz VDRLZHYTPAEASC-UHFFFAOYSA-N 0 0 229.304 2.693 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)on1 ZINC000036398251 361085067 /nfs/dbraw/zinc/08/50/67/361085067.db2.gz MPWXEORNXXWOME-VXGBXAGGSA-N 0 0 248.326 2.778 50 0 BFAARN FC(F)Oc1ccc(C(F)(F)F)nc1 ZINC000238526580 361139454 /nfs/dbraw/zinc/13/94/54/361139454.db2.gz JXUSUSXOHUBUBU-UHFFFAOYSA-N 0 0 213.105 2.702 50 0 BFAARN Fc1cccc(C=NNc2ccccn2)c1 ZINC000013147099 361304532 /nfs/dbraw/zinc/30/45/32/361304532.db2.gz NTRHTBHCKTXPRF-UHFFFAOYSA-N 0 0 215.231 2.667 50 0 BFAARN c1cnc(NCc2cccc3cnccc32)nc1 ZINC000170087123 361390347 /nfs/dbraw/zinc/39/03/47/361390347.db2.gz PEIJYBBATXEZLO-UHFFFAOYSA-N 0 0 236.278 2.637 50 0 BFAARN Cc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1C ZINC000007638214 364011506 /nfs/dbraw/zinc/01/15/06/364011506.db2.gz QNRXZAYXVFZKQV-PWSUYJOCSA-N 0 0 203.285 2.898 50 0 BFAARN C[C@@H](Nc1ncnc2ccccc21)[C@@H]1CCCO1 ZINC000037493048 364079074 /nfs/dbraw/zinc/07/90/74/364079074.db2.gz QORNVGIUSDIGEH-MFKMUULPSA-N 0 0 243.310 2.609 50 0 BFAARN C[C@H](Nc1ccn(C)n1)c1c(F)cccc1F ZINC000037560488 364190494 /nfs/dbraw/zinc/19/04/94/364190494.db2.gz BFFKKCNXDNWZFV-QMMMGPOBSA-N 0 0 237.253 2.871 50 0 BFAARN C[C@H](Nc1ccn(C)n1)c1cc(F)ccc1F ZINC000037560938 364192122 /nfs/dbraw/zinc/19/21/22/364192122.db2.gz HWZLKHJGJMXEGE-QMMMGPOBSA-N 0 0 237.253 2.871 50 0 BFAARN Cc1c(C(=O)OC(C)C)c2cc(O)ccc2n1C ZINC000011865342 370770795 /nfs/dbraw/zinc/77/07/95/370770795.db2.gz XGLYJRWJDOQFEZ-UHFFFAOYSA-N 0 0 247.294 2.758 50 0 BFAARN C[C@@H](SC1CCCC1)C(=O)N1CCCC1 ZINC000033045912 541469472 /nfs/dbraw/zinc/46/94/72/541469472.db2.gz ULVRSUHQZKSPIS-SNVBAGLBSA-N 0 0 227.373 2.673 50 0 BFAARN C[C@H](NC(=O)C1CCC1)c1ccc(F)cc1 ZINC000012913555 541486735 /nfs/dbraw/zinc/48/67/35/541486735.db2.gz UKFDGECPWLOQLX-VIFPVBQESA-N 0 0 221.275 2.803 50 0 BFAARN Cc1ccc(CNC(=O)C2CCCCC2)n1C ZINC000015496829 541493061 /nfs/dbraw/zinc/49/30/61/541493061.db2.gz QSMOIVFJAQZDGN-UHFFFAOYSA-N 0 0 234.343 2.530 50 0 BFAARN CN(Cc1ccccc1F)C(=O)c1ccoc1 ZINC000032841415 541501828 /nfs/dbraw/zinc/50/18/28/541501828.db2.gz KVGSJIPLYQUPEO-UHFFFAOYSA-N 0 0 233.242 2.691 50 0 BFAARN CC(C)=C[C@@H]1[C@H](C(=O)N2CCCC2)C1(C)C ZINC000032843260 541502573 /nfs/dbraw/zinc/50/25/73/541502573.db2.gz OILFIJKSVULUJO-VXGBXAGGSA-N 0 0 221.344 2.847 50 0 BFAARN O=C(c1ccoc1)N1CCCCCCC1 ZINC000032841487 541502591 /nfs/dbraw/zinc/50/25/91/541502591.db2.gz WIUKAMWKPMZWGF-UHFFFAOYSA-N 0 0 207.273 2.686 50 0 BFAARN COc1ccc(-c2ccnc(Cl)n2)cc1C#N ZINC000116813787 370839251 /nfs/dbraw/zinc/83/92/51/370839251.db2.gz UHUUOIKCICTSGY-UHFFFAOYSA-N 0 0 245.669 2.677 50 0 BFAARN FC(F)(F)Oc1cccc(-c2cc[nH]n2)c1 ZINC000205363139 368399684 /nfs/dbraw/zinc/39/96/84/368399684.db2.gz CYWFSRDCOSBDDJ-UHFFFAOYSA-N 0 0 228.173 2.975 50 0 BFAARN O=Cc1ccc(-c2cccc(C=O)c2)cc1 ZINC000140621253 368392111 /nfs/dbraw/zinc/39/21/11/368392111.db2.gz XSIGOKCIGYXXPR-UHFFFAOYSA-N 0 0 210.232 2.979 50 0 BFAARN Cc1ccc(Br)c(F)c1O ZINC000147312522 368394505 /nfs/dbraw/zinc/39/45/05/368394505.db2.gz KISHPRSWTLOCBV-UHFFFAOYSA-N 0 0 205.026 2.602 50 0 BFAARN Oc1cccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000253369701 368939940 /nfs/dbraw/zinc/93/99/40/368939940.db2.gz GXSAMNBVLABXQA-BFHYXJOUSA-N 0 0 245.322 2.762 50 0 BFAARN Cc1ccc2c(c1)ncn(C1(C)CCC1)c2=O ZINC000584900055 369046857 /nfs/dbraw/zinc/04/68/57/369046857.db2.gz BALOCNRYYPDZAS-UHFFFAOYSA-N 0 0 228.295 2.604 50 0 BFAARN CC(C)(C)c1n[nH]c(COc2cccc(F)c2)n1 ZINC000584888676 369037811 /nfs/dbraw/zinc/03/78/11/369037811.db2.gz MCCKQHBSKGFLEN-UHFFFAOYSA-N 0 0 249.289 2.820 50 0 BFAARN CC[C@@H](NC(=O)NC1CCC1)c1ccc(O)cc1 ZINC000584891401 369038127 /nfs/dbraw/zinc/03/81/27/369038127.db2.gz NVIJBICEXJHINX-CYBMUJFWSA-N 0 0 248.326 2.695 50 0 BFAARN O=Cc1ccc(OCC(F)(F)F)cc1F ZINC000404115377 369419777 /nfs/dbraw/zinc/41/97/77/369419777.db2.gz KOMVKPZSNSWJQG-UHFFFAOYSA-N 0 0 222.137 2.579 50 0 BFAARN C[C@H](CCc1ccccc1F)Nc1c[nH]cn1 ZINC000225510902 370996047 /nfs/dbraw/zinc/99/60/47/370996047.db2.gz JOUDZVLTWHVWPH-SNVBAGLBSA-N 0 0 233.290 2.982 50 0 BFAARN Cc1n[nH]cc1Nc1ccnc(C(C)(C)C)n1 ZINC000078968260 371160939 /nfs/dbraw/zinc/16/09/39/371160939.db2.gz YXWWBSDKWBFGJI-UHFFFAOYSA-N 0 0 231.303 2.549 50 0 BFAARN C[C@H](C1CC1)N(C)C(=O)N[C@@H](C)c1ccccn1 ZINC000079213017 371185953 /nfs/dbraw/zinc/18/59/53/371185953.db2.gz HBTQPSFSJDWGOJ-WDEREUQCSA-N 0 0 247.342 2.583 50 0 BFAARN CCc1ccc(C(=O)Oc2cccnc2F)o1 ZINC000079059666 371179282 /nfs/dbraw/zinc/17/92/82/371179282.db2.gz OMRUJWMHMNWQDC-UHFFFAOYSA-N 0 0 235.214 2.595 50 0 BFAARN C[C@H](OC(=O)C=C1CCC1)c1ccccn1 ZINC000079075451 371179626 /nfs/dbraw/zinc/17/96/26/371179626.db2.gz PXQPOJYSXBVMGL-JTQLQIEISA-N 0 0 217.268 2.796 50 0 BFAARN CN(CC1(O)CCC1)c1ccc2ccccc2n1 ZINC000390834353 371240285 /nfs/dbraw/zinc/24/02/85/371240285.db2.gz WYMILAHOFLHHNJ-UHFFFAOYSA-N 0 0 242.322 2.586 50 0 BFAARN C[C@@H](CC(=O)Nc1ccc(F)cc1)n1cccn1 ZINC000020990773 371355953 /nfs/dbraw/zinc/35/59/53/371355953.db2.gz OPYPBUPQXXHTRE-JTQLQIEISA-N 0 0 247.273 2.612 50 0 BFAARN Nc1cc(Cl)ccc1-c1ccc(CO)o1 ZINC000004298858 181684146 /nfs/dbraw/zinc/68/41/46/181684146.db2.gz WWEFPTZLWFVHCY-UHFFFAOYSA-N 0 0 223.659 2.675 50 0 BFAARN Nc1cc(OC(F)F)ccc1C(F)(F)F ZINC000258833832 181690792 /nfs/dbraw/zinc/69/07/92/181690792.db2.gz MBQUSJVAKLVWHE-UHFFFAOYSA-N 0 0 227.132 2.889 50 0 BFAARN Nc1c(Cl)nc(Cl)cc1Br ZINC000044172060 181665665 /nfs/dbraw/zinc/66/56/65/181665665.db2.gz VQPYQALRCSTFHV-UHFFFAOYSA-N 0 0 241.903 2.733 50 0 BFAARN Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000001428382 181702051 /nfs/dbraw/zinc/70/20/51/181702051.db2.gz XGUHVHHJBSMNAG-UHFFFAOYSA-N 0 0 230.242 2.660 50 0 BFAARN Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000042372874 181745310 /nfs/dbraw/zinc/74/53/10/181745310.db2.gz CFPYJKPMBBHLKE-KRWDZBQOSA-N 0 0 245.347 2.718 50 0 BFAARN Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000004218779 181764676 /nfs/dbraw/zinc/76/46/76/181764676.db2.gz NQYSFJUBWFLIMB-UHFFFAOYSA-N 0 0 242.109 2.820 50 0 BFAARN Cc1c(NC(=O)Nc2ccc(C)cc2)cnn1C ZINC000028579911 371619373 /nfs/dbraw/zinc/61/93/73/371619373.db2.gz JWYXDMWUMSUHQB-UHFFFAOYSA-N 0 0 244.298 2.681 50 0 BFAARN CCCn1cnc2c1c1ccccc1nc2N ZINC000028475785 371608415 /nfs/dbraw/zinc/60/84/15/371608415.db2.gz OWBUYSQOBLYANO-UHFFFAOYSA-N 0 0 226.283 2.577 50 0 BFAARN Cc1csc(NC(=O)/C=C/c2ccco2)n1 ZINC000002737481 371645447 /nfs/dbraw/zinc/64/54/47/371645447.db2.gz BWPSLDADAAYXLA-SNAWJCMRSA-N 0 0 234.280 2.696 50 0 BFAARN Nc1nc2cc(Cl)cc(Br)c2o1 ZINC000052066085 181791976 /nfs/dbraw/zinc/79/19/76/181791976.db2.gz BOHZBFNIVHFFAC-UHFFFAOYSA-N 0 0 247.479 2.826 50 0 BFAARN Nc1nc2ccc(Cc3ccncc3)cc2s1 ZINC000007814940 181793272 /nfs/dbraw/zinc/79/32/72/181793272.db2.gz XIWAMBTXUMQNQI-UHFFFAOYSA-N 0 0 241.319 2.864 50 0 BFAARN Nc1nonc1-c1ccc(Cl)c(Cl)c1 ZINC000049821562 181816034 /nfs/dbraw/zinc/81/60/34/181816034.db2.gz PABLAQMULABYGS-UHFFFAOYSA-N 0 0 230.054 2.626 50 0 BFAARN COc1cc(C)nn1-c1ccccc1Cl ZINC000003183224 371904028 /nfs/dbraw/zinc/90/40/28/371904028.db2.gz OYFGQVNASZPGBO-UHFFFAOYSA-N 0 0 222.675 2.843 50 0 BFAARN CC(C)(C)NC(=O)/C=C/c1cccs1 ZINC000003289596 371943821 /nfs/dbraw/zinc/94/38/21/371943821.db2.gz RYWNUUHZSFKMBH-VOTSOKGWSA-N 0 0 209.314 2.676 50 0 BFAARN O=C(OCC1CC1)c1cc2ccccc2o1 ZINC000003404551 371984308 /nfs/dbraw/zinc/98/43/08/371984308.db2.gz PMULIDMTMYONNN-UHFFFAOYSA-N 0 0 216.236 3.000 50 0 BFAARN O=C(/C=C/c1ccncc1)Nc1ccccc1 ZINC000012939390 181845733 /nfs/dbraw/zinc/84/57/33/181845733.db2.gz NWTBOZPPBLPZSI-VOTSOKGWSA-N 0 0 224.263 2.734 50 0 BFAARN Cc1cccc(NC(=O)c2ccccn2)c1C ZINC000003482123 372004401 /nfs/dbraw/zinc/00/44/01/372004401.db2.gz WKSHRCZDRCYJIW-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN O=C(/C=C\c1ccco1)NCc1cccs1 ZINC000035229294 181850900 /nfs/dbraw/zinc/85/09/00/181850900.db2.gz DREJKXAQAAXWID-WAYWQWQTSA-N 0 0 233.292 2.671 50 0 BFAARN C[C@@H]1COC(=O)CCCCCCCCC(=O)O1 ZINC000004023810 372118875 /nfs/dbraw/zinc/11/88/75/372118875.db2.gz JOZILNCSRASEMU-LLVKDONJSA-N 0 0 242.315 2.596 50 0 biogenic BFAARN N#Cc1c2c(c(Cl)nc1Cl)CCC2 ZINC000032249489 372168271 /nfs/dbraw/zinc/16/82/71/372168271.db2.gz ZCRYHTATGWYSMB-UHFFFAOYSA-N 0 0 213.067 2.749 50 0 BFAARN CC1(C)CN2C(=O)c3ccccc3[C@]2(C)S1 ZINC000004060971 372127331 /nfs/dbraw/zinc/12/73/31/372127331.db2.gz OBFUZHNNQTTYHS-ZDUSSCGKSA-N 0 0 233.336 2.841 50 0 BFAARN O=C(CC[C@@H]1CCCO1)Nc1ccccc1 ZINC000040505821 181923306 /nfs/dbraw/zinc/92/33/06/181923306.db2.gz VNNIHXGPXFBADT-LBPRGKRZSA-N 0 0 219.284 2.584 50 0 BFAARN CC(C)(C)SCCNC(=O)[C@H]1CC=CCC1 ZINC000066738292 372533447 /nfs/dbraw/zinc/53/34/47/372533447.db2.gz CRSHWVANRYQONX-NSHDSACASA-N 0 0 241.400 2.991 50 0 BFAARN O=C(CCc1ccccc1)c1cccnc1 ZINC000034274984 181930930 /nfs/dbraw/zinc/93/09/30/181930930.db2.gz ZOUYNOYKFGUERZ-UHFFFAOYSA-N 0 0 211.264 2.897 50 0 BFAARN O=C(CCc1cccs1)Nc1cccnc1 ZINC000032896762 181935314 /nfs/dbraw/zinc/93/53/14/181935314.db2.gz NCSDIKLQWPCVBF-UHFFFAOYSA-N 0 0 232.308 2.714 50 0 BFAARN CCc1c(C)[nH]c2c(C)cccc2c1=O ZINC000008581335 372780556 /nfs/dbraw/zinc/78/05/56/372780556.db2.gz BLJLWUBLPRLWGU-UHFFFAOYSA-N 0 0 201.269 2.707 50 0 biogenic BFAARN Cc1nnsc1C(=O)Oc1cc(C)cc(C)c1 ZINC000008673518 372840337 /nfs/dbraw/zinc/84/03/37/372840337.db2.gz UURFXEUROXMKAN-UHFFFAOYSA-N 0 0 248.307 2.683 50 0 BFAARN O=C(CSC(F)(F)F)NCC1CCCC1 ZINC000048162401 182005304 /nfs/dbraw/zinc/00/53/04/182005304.db2.gz WYDKFWAKPPMUPH-UHFFFAOYSA-N 0 0 241.278 2.546 50 0 BFAARN CCCn1ncnc1-c1c(F)cccc1OC ZINC000426490632 372859348 /nfs/dbraw/zinc/85/93/48/372859348.db2.gz SZQXBDKYQDPXKB-UHFFFAOYSA-N 0 0 235.262 2.503 50 0 BFAARN O=C(C[C@@H]1C=CCC1)NC(C1CC1)C1CC1 ZINC000042025397 182013688 /nfs/dbraw/zinc/01/36/88/182013688.db2.gz BTBYAVMXDACUEW-SNVBAGLBSA-N 0 0 219.328 2.648 50 0 BFAARN O=C(Cc1cccc(F)c1)NC1CCCCC1 ZINC000012928240 182040518 /nfs/dbraw/zinc/04/05/18/182040518.db2.gz PDPKFRNZSBPZBD-UHFFFAOYSA-N 0 0 235.302 2.817 50 0 BFAARN O=C(Cc1ccc(F)cc1)NC1CCCCC1 ZINC000000064677 182035196 /nfs/dbraw/zinc/03/51/96/182035196.db2.gz ZECGRYZLCKIYIF-UHFFFAOYSA-N 0 0 235.302 2.817 50 0 BFAARN O=C(Cc1ccc(F)cc1)NCc1cccs1 ZINC000005617276 182035315 /nfs/dbraw/zinc/03/53/15/182035315.db2.gz PPSIXSVYRXOSRE-UHFFFAOYSA-N 0 0 249.310 2.746 50 0 BFAARN O=C(Cc1ccc(O)cc1)NC1CCCCCC1 ZINC000007278444 182036827 /nfs/dbraw/zinc/03/68/27/182036827.db2.gz HKSXWDYUMJLSJU-UHFFFAOYSA-N 0 0 247.338 2.774 50 0 BFAARN O=C(Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000039297153 182038436 /nfs/dbraw/zinc/03/84/36/182038436.db2.gz HZPYKPXLYFNHFD-UHFFFAOYSA-N 0 0 228.247 2.523 50 0 BFAARN O=C(Cc1ccc(O)cc1)OCc1ccccc1 ZINC000002556350 182038931 /nfs/dbraw/zinc/03/89/31/182038931.db2.gz IUGQFMIATSVYLK-UHFFFAOYSA-N 0 0 242.274 2.678 50 0 in-vitro BFAARN O=C(Cc1ccccc1)NCc1cccs1 ZINC000000376395 182044482 /nfs/dbraw/zinc/04/44/82/182044482.db2.gz UHSXMZCOCLTZAH-UHFFFAOYSA-N 0 0 231.320 2.607 50 0 BFAARN O=C(Cc1ccccc1F)Nc1ccccc1O ZINC000008920011 182044978 /nfs/dbraw/zinc/04/49/78/182044978.db2.gz HQSVAMPMVRVKLF-UHFFFAOYSA-N 0 0 245.253 2.713 50 0 BFAARN O=C(Cc1ccccc1)c1ccccc1O ZINC000002559138 182045175 /nfs/dbraw/zinc/04/51/75/182045175.db2.gz VGHVJQXWDXRTRJ-UHFFFAOYSA-N 0 0 212.248 2.818 50 0 BFAARN O=C(Cc1ccccc1Cl)N1CCCC1 ZINC000016579979 182045562 /nfs/dbraw/zinc/04/55/62/182045562.db2.gz GIRRCIOEHBUPMX-UHFFFAOYSA-N 0 0 223.703 2.505 50 0 BFAARN O=C(Cc1cccs1)NCc1ccccc1F ZINC000001055138 182052647 /nfs/dbraw/zinc/05/26/47/182052647.db2.gz ZAAXYWHRAGBIFS-UHFFFAOYSA-N 0 0 249.310 2.746 50 0 BFAARN O=C(Cc1nccn1C(F)F)c1ccccc1 ZINC000009318755 182061881 /nfs/dbraw/zinc/06/18/81/182061881.db2.gz NDTLPTRGMMOJJJ-UHFFFAOYSA-N 0 0 236.221 2.704 50 0 BFAARN CCCCCCNC(=O)N[C@@H](C)CC ZINC000039971585 373069089 /nfs/dbraw/zinc/06/90/89/373069089.db2.gz XZJYTTHBEZBVGM-JTQLQIEISA-N 0 0 200.326 2.664 50 0 BFAARN O=C(Cn1ccc2ccc(Cl)cc21)NC1CC1 ZINC000032096460 182066834 /nfs/dbraw/zinc/06/68/34/182066834.db2.gz DGJKVMHAODQCDL-UHFFFAOYSA-N 0 0 248.713 2.573 50 0 BFAARN O=C(Cn1ccc2ccccc21)N1CCCCC1 ZINC000004676155 182067016 /nfs/dbraw/zinc/06/70/16/182067016.db2.gz WIRSKIQNAMGUIW-UHFFFAOYSA-N 0 0 242.322 2.654 50 0 BFAARN C[C@H](Cc1ccco1)NC(=O)[C@H]1CC=CCC1 ZINC000040074710 373102231 /nfs/dbraw/zinc/10/22/31/373102231.db2.gz NZQAQPUXSWLLRF-NEPJUHHUSA-N 0 0 233.311 2.683 50 0 BFAARN Cc1cc(N)n(-c2nc3c(cccc3F)s2)n1 ZINC000017012080 205461528 /nfs/dbraw/zinc/46/15/28/205461528.db2.gz DHHMLFAKAXKASA-UHFFFAOYSA-N 0 0 248.286 2.512 50 0 BFAARN CC(C)CNC(=O)CCc1c[nH]c2ccccc12 ZINC000003344831 205458382 /nfs/dbraw/zinc/45/83/82/205458382.db2.gz KTXDXLHMXPCWEG-UHFFFAOYSA-N 0 0 244.338 2.873 50 0 BFAARN O=C(NC1(c2ccccc2)CC1)c1cccnc1 ZINC000041538388 182092488 /nfs/dbraw/zinc/09/24/88/182092488.db2.gz ADSLEQWGXJNWAE-UHFFFAOYSA-N 0 0 238.290 2.501 50 0 BFAARN O=C(NC1(c2ccccc2)CC1)c1ccco1 ZINC000041564645 182091760 /nfs/dbraw/zinc/09/17/60/182091760.db2.gz MBWHHIJHFYMQLW-UHFFFAOYSA-N 0 0 227.263 2.699 50 0 BFAARN O=C(NC1CC1)c1ccc(Cl)c(F)c1F ZINC000002856267 182099328 /nfs/dbraw/zinc/09/93/28/182099328.db2.gz XQIILAYJODQFEQ-UHFFFAOYSA-N 0 0 231.629 2.510 50 0 BFAARN O=C(NC1CC1)c1cccc(-c2nccs2)c1 ZINC000041450913 182100301 /nfs/dbraw/zinc/10/03/01/182100301.db2.gz DCOKDVQGVAISFX-UHFFFAOYSA-N 0 0 244.319 2.702 50 0 BFAARN O=C(NC1CCCC1)c1ccc2cc[nH]c2c1 ZINC000032488333 182111785 /nfs/dbraw/zinc/11/17/85/182111785.db2.gz AZPAYXSEXSHHPT-UHFFFAOYSA-N 0 0 228.295 2.840 50 0 BFAARN O=C(NC1CCCC1)c1cc(-c2ccco2)on1 ZINC000000425675 182109991 /nfs/dbraw/zinc/10/99/91/182109991.db2.gz YAWKYURRIHVFTJ-UHFFFAOYSA-N 0 0 246.266 2.607 50 0 BFAARN C[C@@H](Cc1ccco1)NC(=O)c1ccsc1 ZINC000040510230 373407021 /nfs/dbraw/zinc/40/70/21/373407021.db2.gz LEGVGMUVWQVKCZ-VIFPVBQESA-N 0 0 235.308 2.702 50 0 BFAARN O=C(NC1Cc2ccccc2C1)c1ccccc1 ZINC000000171404 182120079 /nfs/dbraw/zinc/12/00/79/182120079.db2.gz LTGSVHPANCELJE-UHFFFAOYSA-N 0 0 237.302 2.584 50 0 BFAARN O=C(NC1CCCCCCC1)c1ccncc1 ZINC000000043194 182115509 /nfs/dbraw/zinc/11/55/09/182115509.db2.gz PJXXQAULJDUGLG-UHFFFAOYSA-N 0 0 232.327 2.924 50 0 BFAARN CS[C@H](C)C(=O)N[C@@H](C)c1cccs1 ZINC000040523433 373446486 /nfs/dbraw/zinc/44/64/86/373446486.db2.gz IBDASKUUINCBKB-JGVFFNPUSA-N 0 0 229.370 2.677 50 0 BFAARN Cn1ccnc1SCCOc1ccccc1 ZINC000009146378 373460602 /nfs/dbraw/zinc/46/06/02/373460602.db2.gz SZSHKOYMLVVNKI-UHFFFAOYSA-N 0 0 234.324 2.591 50 0 BFAARN O=C(NCC1CC1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000058341071 182139740 /nfs/dbraw/zinc/13/97/40/182139740.db2.gz ISCDKVGXFKQCPH-STQMWFEESA-N 0 0 249.741 2.970 50 0 BFAARN O=C(NCCC1=CCCCC1)Nc1ccon1 ZINC000180508247 182151503 /nfs/dbraw/zinc/15/15/03/182151503.db2.gz ZRLJNRSQOPRVFQ-UHFFFAOYSA-N 0 0 235.287 2.687 50 0 BFAARN O=C(NCCCc1ccccc1)C1CCCC1 ZINC000002773835 182174928 /nfs/dbraw/zinc/17/49/28/182174928.db2.gz QYUGRQWRLMEGFF-UHFFFAOYSA-N 0 0 231.339 2.926 50 0 BFAARN O=C(NCCc1ccccc1)C1CCCCC1 ZINC000000405867 182205126 /nfs/dbraw/zinc/20/51/26/182205126.db2.gz GPUHUEHNYUSRPW-UHFFFAOYSA-N 0 0 231.339 2.926 50 0 BFAARN O=C(NCCc1cccs1)c1ccccc1 ZINC000021475143 182208824 /nfs/dbraw/zinc/20/88/24/182208824.db2.gz UOTIVHIGQMWNKC-UHFFFAOYSA-N 0 0 231.320 2.721 50 0 BFAARN CCCCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000009466808 374138341 /nfs/dbraw/zinc/13/83/41/374138341.db2.gz ZADUTMQYNJMWCZ-JTQLQIEISA-N 0 0 245.326 2.930 50 0 BFAARN O=C(NCc1ccc(F)cc1)[C@@H]1CC=CCC1 ZINC000009335592 182249744 /nfs/dbraw/zinc/24/97/44/182249744.db2.gz ZFVADNVABPQYOS-GFCCVEGCSA-N 0 0 233.286 2.798 50 0 BFAARN O=C(NCc1ccc(F)cc1)c1ccccc1 ZINC000003093733 182250046 /nfs/dbraw/zinc/25/00/46/182250046.db2.gz XEHCIJQQJFATFU-UHFFFAOYSA-N 0 0 229.254 2.756 50 0 BFAARN O=C(NCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000003093737 182250497 /nfs/dbraw/zinc/25/04/97/182250497.db2.gz CJFYBDORFMDXTG-UHFFFAOYSA-N 0 0 247.244 2.895 50 0 BFAARN O=C(NCc1ccc(F)cc1)NC1CCCC1 ZINC000030987397 182250529 /nfs/dbraw/zinc/25/05/29/182250529.db2.gz WPKXQLCMRNZWLM-UHFFFAOYSA-N 0 0 236.290 2.568 50 0 BFAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]1C ZINC000009647624 374188185 /nfs/dbraw/zinc/18/81/85/374188185.db2.gz SINRAOCJXRTBQW-IONNQARKSA-N 0 0 239.702 2.943 50 0 BFAARN CC(C)c1noc(CN([C@@H](C)C2CC2)C2CC2)n1 ZINC000042123694 374250264 /nfs/dbraw/zinc/25/02/64/374250264.db2.gz TXBYCYZPARQSDG-JTQLQIEISA-N 0 0 249.358 2.956 50 0 BFAARN O=C(NCc1ccco1)c1ccc(Cl)s1 ZINC000000035399 182263039 /nfs/dbraw/zinc/26/30/39/182263039.db2.gz DVNXZGFSUGADPP-UHFFFAOYSA-N 0 0 241.699 2.925 50 0 BFAARN O=C(NCc1ccco1)c1cc2c(s1)CCC2 ZINC000006639394 182263518 /nfs/dbraw/zinc/26/35/18/182263518.db2.gz VBOIMZDCGKRAPO-UHFFFAOYSA-N 0 0 247.319 2.760 50 0 BFAARN O=C(NCc1ccncc1)Nc1ccccc1F ZINC000012537520 182264405 /nfs/dbraw/zinc/26/44/05/182264405.db2.gz UTGJSFILAFKMHO-UHFFFAOYSA-N 0 0 245.257 2.542 50 0 BFAARN O=C(NCc1ccccc1)c1cccc(F)c1 ZINC000000361437 182256832 /nfs/dbraw/zinc/25/68/32/182256832.db2.gz LKIBJWJYXBXEEB-UHFFFAOYSA-N 0 0 229.254 2.756 50 0 BFAARN O=C(NCc1ccccc1F)NC1CCCC1 ZINC000013328260 182257279 /nfs/dbraw/zinc/25/72/79/182257279.db2.gz UOCOBKBSWVQHCF-UHFFFAOYSA-N 0 0 236.290 2.568 50 0 BFAARN O=C(NCc1ccccc1)c1cccs1 ZINC000000290604 182257306 /nfs/dbraw/zinc/25/73/06/182257306.db2.gz WCGCLWNPEQTVSG-UHFFFAOYSA-N 0 0 217.293 2.678 50 0 BFAARN O=C(NCc1ccccc1)c1cccc(F)c1F ZINC000002864482 182257504 /nfs/dbraw/zinc/25/75/04/182257504.db2.gz CLMTYUMUFAWHQO-UHFFFAOYSA-N 0 0 247.244 2.895 50 0 BFAARN O=C(NCc1ccccc1F)c1ccccc1F ZINC000006260714 182258231 /nfs/dbraw/zinc/25/82/31/182258231.db2.gz CFJNMFLGSCOEOE-UHFFFAOYSA-N 0 0 247.244 2.895 50 0 BFAARN O=C(NCc1ccsc1)NC1CCCCC1 ZINC000038586634 182268187 /nfs/dbraw/zinc/26/81/87/182268187.db2.gz UELRVKYDHCCLPT-UHFFFAOYSA-N 0 0 238.356 2.880 50 0 BFAARN O=C(NCc1ccsc1)C1CCCC1 ZINC000013698099 182269013 /nfs/dbraw/zinc/26/90/13/182269013.db2.gz CXDUTYMTNVGXGY-UHFFFAOYSA-N 0 0 209.314 2.555 50 0 BFAARN O=C(NO)Nc1ccc(Cl)cc1Cl ZINC000000396718 182279683 /nfs/dbraw/zinc/27/96/83/182279683.db2.gz DJPGEWSKXZZHCC-UHFFFAOYSA-N 0 0 221.043 2.504 50 0 BFAARN CCCOc1cccc(-c2nc(C)n(C)n2)c1 ZINC000426550680 206053308 /nfs/dbraw/zinc/05/33/08/206053308.db2.gz UGJLHTSQKDMIJU-UHFFFAOYSA-N 0 0 231.299 2.579 50 0 BFAARN c1cn(CCSC2CCCCC2)cn1 ZINC000159341485 206091446 /nfs/dbraw/zinc/09/14/46/206091446.db2.gz ZBOQYCFUDFUXKE-UHFFFAOYSA-N 0 0 210.346 2.949 50 0 BFAARN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000055274564 182331685 /nfs/dbraw/zinc/33/16/85/182331685.db2.gz GTRRRNMDQVLUAB-BDAKNGLRSA-N 0 0 235.249 2.634 50 0 BFAARN O=C(N[C@H]1CCCc2occc21)C1CCC1 ZINC000069464438 182334113 /nfs/dbraw/zinc/33/41/13/182334113.db2.gz YIJMHGQRPHUPPJ-NSHDSACASA-N 0 0 219.284 2.573 50 0 BFAARN CCCCNC(=S)NCc1ccc(F)cc1 ZINC000013814257 168865209 /nfs/dbraw/zinc/86/52/09/168865209.db2.gz NCAPOOREICJQTP-UHFFFAOYSA-N 0 0 240.347 2.590 50 0 BFAARN O=C(Nc1cc(F)cc(F)c1)c1ccncc1 ZINC000010663739 182350380 /nfs/dbraw/zinc/35/03/80/182350380.db2.gz WGPLPYZLOPAYHM-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1ccc(-n2cccc2)cc1)C1CC1 ZINC000004049827 182351608 /nfs/dbraw/zinc/35/16/08/182351608.db2.gz IUTROBYDNUECPG-UHFFFAOYSA-N 0 0 226.279 2.826 50 0 BFAARN O=C(Nc1ccc(Br)cc1)C1CC1 ZINC000000070354 182353215 /nfs/dbraw/zinc/35/32/15/182353215.db2.gz CYBVEZPTHHVBTO-UHFFFAOYSA-N 0 0 240.100 2.798 50 0 BFAARN O=C(Nc1ccc(F)c(F)c1)c1cccc(O)c1 ZINC000019839263 182355185 /nfs/dbraw/zinc/35/51/85/182355185.db2.gz FEXLLWNRONWVCA-UHFFFAOYSA-N 0 0 249.216 2.923 50 0 BFAARN O=C(Nc1ccc(F)c(F)c1)C1CCC1 ZINC000000137415 182355416 /nfs/dbraw/zinc/35/54/16/182355416.db2.gz XASPAHIFZGPPJW-UHFFFAOYSA-N 0 0 211.211 2.703 50 0 BFAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCO1 ZINC000000474540 182355748 /nfs/dbraw/zinc/35/57/48/182355748.db2.gz HNPLEYZIPLVJED-JTQLQIEISA-N 0 0 243.665 2.597 50 0 BFAARN O=C(Nc1ccc(F)cc1)N1CCCCC1 ZINC000000355679 182355904 /nfs/dbraw/zinc/35/59/04/182355904.db2.gz OQXQMWNXXPEEJS-UHFFFAOYSA-N 0 0 222.263 2.844 50 0 BFAARN O=C(Nc1ccc(F)cc1)c1ccc(CO)cc1 ZINC000033023980 182357228 /nfs/dbraw/zinc/35/72/28/182357228.db2.gz WAXMKZNXMCBKPD-UHFFFAOYSA-N 0 0 245.253 2.570 50 0 BFAARN O=C(Nc1c[nH]c2ccccc12)c1ccncc1 ZINC000020536607 182346171 /nfs/dbraw/zinc/34/61/71/182346171.db2.gz MXNHHMDDESOMBD-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 BFAARN O=C(Nc1c(F)cccc1F)c1ccccn1 ZINC000044866577 182346348 /nfs/dbraw/zinc/34/63/48/182346348.db2.gz NAQFLGPPQGNWHV-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1cc(F)ccc1F)c1ccoc1 ZINC000026856015 182349336 /nfs/dbraw/zinc/34/93/36/182349336.db2.gz ZDECPJPUUMOUAW-UHFFFAOYSA-N 0 0 223.178 2.810 50 0 BFAARN O=C(Nc1cc(F)cc(F)c1)c1ccc[nH]1 ZINC000036393156 182349957 /nfs/dbraw/zinc/34/99/57/182349957.db2.gz LXWXPZBXGVAWCL-UHFFFAOYSA-N 0 0 222.194 2.545 50 0 BFAARN O=C(Nc1ccc(F)cn1)c1ccsc1 ZINC000103015115 182358808 /nfs/dbraw/zinc/35/88/08/182358808.db2.gz QYEFRUORMKIACO-UHFFFAOYSA-N 0 0 222.244 2.535 50 0 BFAARN O=C(Nc1cccc(Cl)c1)N1CCC1 ZINC000058355229 182368461 /nfs/dbraw/zinc/36/84/61/182368461.db2.gz JAFPVGBWVGYSDO-UHFFFAOYSA-N 0 0 210.664 2.578 50 0 BFAARN O=C(Nc1ccccc1)NC(C1CC1)C1CC1 ZINC000057517202 182375751 /nfs/dbraw/zinc/37/57/51/182375751.db2.gz PESBBJFFVMTUSR-UHFFFAOYSA-N 0 0 230.311 2.997 50 0 BFAARN O=C(Nc1ccccc1)Nc1ccncc1 ZINC000000396644 182375999 /nfs/dbraw/zinc/37/59/99/182375999.db2.gz WZYOSMAXXLCTGP-UHFFFAOYSA-N 0 0 213.240 2.726 50 0 BFAARN O=C(Nc1ccccc1)[C@H](O)C1CCCCC1 ZINC000000332047 182377151 /nfs/dbraw/zinc/37/71/51/182377151.db2.gz KNNBOEMWWVSUES-CYBMUJFWSA-N 0 0 233.311 2.566 50 0 BFAARN O=C(Nc1ccccc1)OCc1ccccn1 ZINC000000390353 182377401 /nfs/dbraw/zinc/37/74/01/182377401.db2.gz RTPXTRLJPDQQID-UHFFFAOYSA-N 0 0 228.251 2.830 50 0 BFAARN O=C(Nc1cccc(O)c1)C1CCCCC1 ZINC000000225738 182370735 /nfs/dbraw/zinc/37/07/35/182370735.db2.gz YSGMXDPUXIDZTD-UHFFFAOYSA-N 0 0 219.284 2.911 50 0 BFAARN O=C(Nc1cccc(F)c1)c1cccc(O)c1 ZINC000019839497 182370747 /nfs/dbraw/zinc/37/07/47/182370747.db2.gz MDKVUKFYELMHTJ-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1cccc2cccnc21)C1CC1 ZINC000009683354 182373019 /nfs/dbraw/zinc/37/30/19/182373019.db2.gz WBUQRRLYHKGCEX-UHFFFAOYSA-N 0 0 212.252 2.583 50 0 BFAARN O=C(Nc1cccc2cccnc21)NC1CC1 ZINC000036179116 182373283 /nfs/dbraw/zinc/37/32/83/182373283.db2.gz UVEPZMSYORCHAA-UHFFFAOYSA-N 0 0 227.267 2.519 50 0 BFAARN O=C(Nc1cccc2cccnc21)c1ccccn1 ZINC000009455159 182373994 /nfs/dbraw/zinc/37/39/94/182373994.db2.gz RZQZPRDJYGINCD-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1ccccc1O)[C@@H]1CC=CCC1 ZINC000032855793 182380320 /nfs/dbraw/zinc/38/03/20/182380320.db2.gz OSTMTZXHRGKTJP-SNVBAGLBSA-N 0 0 217.268 2.687 50 0 BFAARN O=C(Nc1ccccc1O)C1CCCC1 ZINC000021866422 182380703 /nfs/dbraw/zinc/38/07/03/182380703.db2.gz FCFMUJOOHHQTQD-UHFFFAOYSA-N 0 0 205.257 2.521 50 0 BFAARN O=C(Nc1ccccc1O)c1cccs1 ZINC000000255803 182380891 /nfs/dbraw/zinc/38/08/91/182380891.db2.gz XEEJLVCDQOBGQB-UHFFFAOYSA-N 0 0 219.265 2.706 50 0 BFAARN O=C(Nc1ccccn1)C1CCCCC1 ZINC000000409065 182381043 /nfs/dbraw/zinc/38/10/43/182381043.db2.gz FMIVLMJUIUNSRZ-UHFFFAOYSA-N 0 0 204.273 2.600 50 0 BFAARN O=C(Nc1ccccn1)c1ccc(Cl)cc1 ZINC000000040523 182383080 /nfs/dbraw/zinc/38/30/80/182383080.db2.gz XMEYAYCVRHNECN-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1cccnc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000000140079 182384371 /nfs/dbraw/zinc/38/43/71/182384371.db2.gz WTOILWVPRTVEAN-UONOGXRCSA-N 0 0 238.290 2.824 50 0 BFAARN O=C(Nc1nc2c(s1)CCCC2)c1ccco1 ZINC000000192139 182398112 /nfs/dbraw/zinc/39/81/12/182398112.db2.gz HFIIWZJBHMAGES-UHFFFAOYSA-N 0 0 248.307 2.867 50 0 BFAARN O=C(Nc1nccs1)c1ccc(F)cc1F ZINC000006788434 182401445 /nfs/dbraw/zinc/40/14/45/182401445.db2.gz KGCOGJISXUNQBT-UHFFFAOYSA-N 0 0 240.234 2.674 50 0 BFAARN O=C(Nc1onc2c1CCCC2)c1ccccc1 ZINC000008612312 182406733 /nfs/dbraw/zinc/40/67/33/182406733.db2.gz UXNBDEUEBDRYLO-UHFFFAOYSA-N 0 0 242.278 2.806 50 0 BFAARN O=C(Oc1ccccc1)N1CCCCC1 ZINC000000135184 182609873 /nfs/dbraw/zinc/60/98/73/182609873.db2.gz GGZDLAOKPXEJCP-UHFFFAOYSA-N 0 0 205.257 2.671 50 0 BFAARN O=C(c1cc2c(s1)CCCC2)n1cccn1 ZINC000001055163 182652795 /nfs/dbraw/zinc/65/27/95/182652795.db2.gz XOAWSFDIQVIAMI-UHFFFAOYSA-N 0 0 232.308 2.512 50 0 BFAARN CCCCOCCCNC(=O)[C@H](C)CCC ZINC000002735135 168894326 /nfs/dbraw/zinc/89/43/26/168894326.db2.gz BUPQCURNGQQDKC-GFCCVEGCSA-N 0 0 229.364 2.746 50 0 BFAARN O=C(c1ncco1)c1ccccc1C(F)(F)F ZINC000043210560 182708170 /nfs/dbraw/zinc/70/81/70/182708170.db2.gz DXYLNPPFAMNPBH-UHFFFAOYSA-N 0 0 241.168 2.924 50 0 BFAARN O=C1CCc2cc(Br)ccc21 ZINC000000156323 182756457 /nfs/dbraw/zinc/75/64/57/182756457.db2.gz KSONICAHAPRCMV-UHFFFAOYSA-N 0 0 211.058 2.578 50 0 BFAARN O=C1c2ccccc2C(=O)N1C1CCCCC1 ZINC000000235331 182844639 /nfs/dbraw/zinc/84/46/39/182844639.db2.gz XUIJACXTIJMYGJ-UHFFFAOYSA-N 0 0 229.279 2.615 50 0 BFAARN O=C1Nc2ccccc2/C1=C/c1ccncc1 ZINC000005939494 182824336 /nfs/dbraw/zinc/82/43/36/182824336.db2.gz YJIPMQPTUPEVAU-XFXZXTDPSA-N 0 0 222.247 2.574 50 0 BFAARN O=C1Nc2ccccc2[C@@H]1Cc1cccc(O)c1 ZINC000100793516 182825394 /nfs/dbraw/zinc/82/53/94/182825394.db2.gz ASRYUDWOWCSVEL-ZDUSSCGKSA-N 0 0 239.274 2.671 50 0 biogenic BFAARN O=C1OCC[C@H]1SCc1ccc(Cl)cc1 ZINC000012925555 182832538 /nfs/dbraw/zinc/83/25/38/182832538.db2.gz QCHGMJAJGSQHRO-SNVBAGLBSA-N 0 0 242.727 2.889 50 0 BFAARN O=C1O[C@@H]2CCCC[C@H]2[C@H]1c1ccccc1 ZINC000255989847 182836800 /nfs/dbraw/zinc/83/68/00/182836800.db2.gz NHZLOUXGQVISND-JHJVBQTASA-N 0 0 216.280 2.886 50 0 BFAARN O=Cc1c(F)c(F)ccc1Br ZINC000021985452 182858457 /nfs/dbraw/zinc/85/84/57/182858457.db2.gz LAVPYRPTHABUAD-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN O=Cc1cc(C(F)(F)F)nn1C1CCCC1 ZINC000095495585 182862014 /nfs/dbraw/zinc/86/20/14/182862014.db2.gz HMHRLQHAYLOAAK-UHFFFAOYSA-N 0 0 232.205 2.830 50 0 BFAARN O=Cc1csc(Cn2cnc3ccccc32)c1 ZINC000004343470 182875697 /nfs/dbraw/zinc/87/56/97/182875697.db2.gz MIMDMFUSQJPNQZ-UHFFFAOYSA-N 0 0 242.303 2.959 50 0 BFAARN CCCCOc1cc(F)c(C=O)c(F)c1 ZINC000091251993 168915148 /nfs/dbraw/zinc/91/51/48/168915148.db2.gz VNPPSJNGJUIJDV-UHFFFAOYSA-N 0 0 214.211 2.956 50 0 BFAARN O=S=Nc1cccc(C(F)(F)F)c1 ZINC000096032118 182918090 /nfs/dbraw/zinc/91/80/90/182918090.db2.gz CLMAHKQUGFOWST-UHFFFAOYSA-N 0 0 207.176 2.734 50 0 BFAARN O=c1c2ccccc2cc2n1CCCCC2 ZINC000015829272 182988867 /nfs/dbraw/zinc/98/88/67/182988867.db2.gz ODVMPUWRYDXQHW-UHFFFAOYSA-N 0 0 213.280 2.728 50 0 BFAARN O=c1[nH]cnc2ccc(-c3ccccc3)cc21 ZINC000071257396 182979187 /nfs/dbraw/zinc/97/91/87/182979187.db2.gz ZQYGHFBZNVXDQB-UHFFFAOYSA-N 0 0 222.247 2.590 50 0 BFAARN O=c1ccc(-c2ccco2)nn1C1CCCC1 ZINC000038827691 182998747 /nfs/dbraw/zinc/99/87/47/182998747.db2.gz MNPKEMGVNUYUHV-UHFFFAOYSA-N 0 0 230.267 2.618 50 0 BFAARN O=c1cc[nH]c2c(Cl)ccc(Cl)c12 ZINC000000332078 182998918 /nfs/dbraw/zinc/99/89/18/182998918.db2.gz OSBCPHAGCKLYDB-UHFFFAOYSA-N 0 0 214.051 2.835 50 0 BFAARN O=c1cccccc1NC1CCCCC1 ZINC000000315232 183001985 /nfs/dbraw/zinc/00/19/85/183001985.db2.gz OGDCJTIDXAPWOJ-UHFFFAOYSA-N 0 0 203.285 2.791 50 0 BFAARN O=c1cccc(-c2cccc(Cl)c2)[nH]1 ZINC000065339059 183002727 /nfs/dbraw/zinc/00/27/27/183002727.db2.gz NLBGSFNRDMUDSL-UHFFFAOYSA-N 0 0 205.644 2.695 50 0 BFAARN CCCC[C@@H](CC)CNC(=O)NC1CC1 ZINC000084742947 168957229 /nfs/dbraw/zinc/95/72/29/168957229.db2.gz CRIWDJLJTGILCI-SNVBAGLBSA-N 0 0 212.337 2.664 50 0 BFAARN O=c1oc(-c2cccs2)nc2ccccc21 ZINC000000031615 183012221 /nfs/dbraw/zinc/01/22/21/183012221.db2.gz VGHJEBXWEGFRGH-UHFFFAOYSA-N 0 0 229.260 2.917 50 0 BFAARN O=C1CS[C@H](c2ccccc2)c2c[nH]nc2N1 ZINC000020729312 183025699 /nfs/dbraw/zinc/02/56/99/183025699.db2.gz PITKWDAXRHLEFB-LLVKDONJSA-N 0 0 245.307 2.834 50 0 BFAARN CCCC[C@H](CC)[C@H](O)[C@@H](C)[C@@H](C)O ZINC000004578626 169001688 /nfs/dbraw/zinc/00/16/88/169001688.db2.gz LJGRJTMTDBCJEG-WHOHXGKFSA-N 0 0 202.338 2.581 50 0 BFAARN CCCCc1c(O)c2ccccc2n(C)c1=O ZINC000100165135 169018173 /nfs/dbraw/zinc/01/81/73/169018173.db2.gz UGSGKYKRLRQHBS-UHFFFAOYSA-N 0 0 231.295 2.587 50 0 BFAARN CCCCc1nc(Cn2ccnc2C(C)C)no1 ZINC000120788507 169025947 /nfs/dbraw/zinc/02/59/47/169025947.db2.gz NDMQDBLJSORBLD-UHFFFAOYSA-N 0 0 248.330 2.780 50 0 BFAARN CCCCc1nc2ccc(C(=O)OC)cc2o1 ZINC000004073071 169027085 /nfs/dbraw/zinc/02/70/85/169027085.db2.gz GIQTXUQSKWOABP-UHFFFAOYSA-N 0 0 233.267 2.957 50 0 BFAARN CCCCc1nnc(-c2ccc(N)cc2)o1 ZINC000003883519 169027709 /nfs/dbraw/zinc/02/77/09/169027709.db2.gz XPIHSQYFSYJQEZ-UHFFFAOYSA-N 0 0 217.272 2.661 50 0 BFAARN CCCCc1nnc2sc(-c3ccco3)nn12 ZINC000011278351 169029220 /nfs/dbraw/zinc/02/92/20/169029220.db2.gz PXXNJIFRDWEPKV-UHFFFAOYSA-N 0 0 248.311 2.788 50 0 BFAARN OCc1c(F)c(Cl)ccc1Br ZINC000075925979 183160740 /nfs/dbraw/zinc/16/07/40/183160740.db2.gz GVWAPEOEFOERPI-UHFFFAOYSA-N 0 0 239.471 2.734 50 0 BFAARN OCc1cc(Cl)ccc1C(F)(F)F ZINC000002574968 183161954 /nfs/dbraw/zinc/16/19/54/183161954.db2.gz LUMJBVGPYBBQAP-UHFFFAOYSA-N 0 0 210.582 2.851 50 0 BFAARN OCc1ccc(OCc2ccccc2)c(F)c1 ZINC000020435111 183166366 /nfs/dbraw/zinc/16/63/66/183166366.db2.gz HWGIEIDBXWBVEB-UHFFFAOYSA-N 0 0 232.254 2.897 50 0 BFAARN OCc1cccc(NCc2ccccc2Cl)n1 ZINC000170089119 183168135 /nfs/dbraw/zinc/16/81/35/183168135.db2.gz YNAARJCSNRYATB-UHFFFAOYSA-N 0 0 248.713 2.839 50 0 BFAARN OCc1cn2c3ccc(Cl)cc3sc2n1 ZINC000034409459 183169448 /nfs/dbraw/zinc/16/94/48/183169448.db2.gz DSTTYPFMKAGFDF-UHFFFAOYSA-N 0 0 238.699 2.695 50 0 BFAARN O[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000000394076 183184708 /nfs/dbraw/zinc/18/47/08/183184708.db2.gz ZFUPOFQRQNJDNS-LBPRGKRZSA-N 0 0 219.671 2.817 50 0 in-vitro BFAARN OCc1nc2ccccc2n1Cc1ccccc1 ZINC000000237702 183170562 /nfs/dbraw/zinc/17/05/62/183170562.db2.gz BMKLUFBUYHXGGH-UHFFFAOYSA-N 0 0 238.290 2.577 50 0 BFAARN OCc1csc(-c2cccc3cnccc32)n1 ZINC000065419246 183170737 /nfs/dbraw/zinc/17/07/37/183170737.db2.gz FPSIOCIGFRBPQM-UHFFFAOYSA-N 0 0 242.303 2.851 50 0 BFAARN OCc1csc(-c2cccc(Cl)c2)n1 ZINC000012370329 183170800 /nfs/dbraw/zinc/17/08/00/183170800.db2.gz YTNKAEKSQBOUNF-UHFFFAOYSA-N 0 0 225.700 2.956 50 0 BFAARN CCCN(C)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000069104122 169055911 /nfs/dbraw/zinc/05/59/11/169055911.db2.gz RWBDAHYHTPULSN-CHWSQXEVSA-N 0 0 232.327 2.594 50 0 BFAARN O[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000000215417 183198028 /nfs/dbraw/zinc/19/80/28/183198028.db2.gz NAPPFWAXGCBELF-SECBINFHSA-N 0 0 246.137 2.560 50 0 BFAARN O[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000000043866 183186087 /nfs/dbraw/zinc/18/60/87/183186087.db2.gz JEAWPIKEEQZLJQ-ZDUSSCGKSA-N 0 0 224.263 2.645 50 0 BFAARN O[C@@H]1CCCC[C@@H]1Oc1ccc(F)cc1F ZINC000037696136 183189138 /nfs/dbraw/zinc/18/91/38/183189138.db2.gz MYJIDMDCPYJRAE-PWSUYJOCSA-N 0 0 228.238 2.647 50 0 BFAARN O[C@H](CNc1ccccc1)c1ccccc1 ZINC000032012826 183226844 /nfs/dbraw/zinc/22/68/44/183226844.db2.gz GGMOJBRNGQDSQN-CQSZACIVSA-N 0 0 213.280 2.832 50 0 BFAARN O[C@H](Cc1ccc(Br)cc1)C1CC1 ZINC000037465576 183227030 /nfs/dbraw/zinc/22/70/30/183227030.db2.gz RTNMPZADQXXCDT-LLVKDONJSA-N 0 0 241.128 2.763 50 0 BFAARN O[C@H](c1ccc(Br)cc1)C1CC1 ZINC000000129331 183228458 /nfs/dbraw/zinc/22/84/58/183228458.db2.gz PLVQKMYLBFYJHT-JTQLQIEISA-N 0 0 227.101 2.893 50 0 BFAARN O[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000011535758 183228678 /nfs/dbraw/zinc/22/86/78/183228678.db2.gz CQZLNPXEFGITEZ-GFCCVEGCSA-N 0 0 219.671 2.817 50 0 BFAARN O[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000030952734 183229724 /nfs/dbraw/zinc/22/97/24/183229724.db2.gz FBGQCTZCPITIQD-GFCCVEGCSA-N 0 0 219.671 2.817 50 0 BFAARN O[C@H]1CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000000213040 183239722 /nfs/dbraw/zinc/23/97/22/183239722.db2.gz VMZADYKTSRZBMS-VIFPVBQESA-N 0 0 246.137 2.560 50 0 BFAARN O[C@H]1CCc2cc(Cl)c(Cl)cc21 ZINC000081991218 183242182 /nfs/dbraw/zinc/24/21/82/183242182.db2.gz BVMSVJNZBKHOLJ-VIFPVBQESA-N 0 0 203.068 2.973 50 0 BFAARN O=c1c2c([nH]c3cc(Cl)ccc31)OCC2 ZINC000000390210 183254981 /nfs/dbraw/zinc/25/49/81/183254981.db2.gz UFAZOSFBULIMKV-UHFFFAOYSA-N 0 0 221.643 2.529 50 0 BFAARN O[C@H]1CCCOc2ccc(Br)cc21 ZINC000062620987 183235294 /nfs/dbraw/zinc/23/52/94/183235294.db2.gz QGEPJFQBBYSBQE-VIFPVBQESA-N 0 0 243.100 2.655 50 0 BFAARN Oc1ccc(-n2cnc3ccccc32)cc1 ZINC000013782570 183266143 /nfs/dbraw/zinc/26/61/43/183266143.db2.gz YPKCOJPZSAGCHD-UHFFFAOYSA-N 0 0 210.236 2.731 50 0 BFAARN Oc1ccc(Br)c2cc[nH]c21 ZINC000044185176 183267342 /nfs/dbraw/zinc/26/73/42/183267342.db2.gz KBXCLTPQVXMQOZ-UHFFFAOYSA-N 0 0 212.046 2.636 50 0 BFAARN Oc1ccc(CNc2ccc3cn[nH]c3c2)cc1 ZINC000006188174 183271313 /nfs/dbraw/zinc/27/13/13/183271313.db2.gz AQXHPCJDJVWYCJ-UHFFFAOYSA-N 0 0 239.278 2.881 50 0 BFAARN Oc1ccc(Cl)c(OC(F)(F)F)c1 ZINC000012359287 183272410 /nfs/dbraw/zinc/27/24/10/183272410.db2.gz ZLZLXAOLRWLDID-UHFFFAOYSA-N 0 0 212.554 2.944 50 0 BFAARN CCCN(CC)c1ccc(C(=O)N(C)C)cc1 ZINC000069492879 169133338 /nfs/dbraw/zinc/13/33/38/169133338.db2.gz HYAUBNRBBLKCOB-UHFFFAOYSA-N 0 0 234.343 2.625 50 0 BFAARN CCCN(CCC)C(=O)Cc1cccs1 ZINC000000030679 169141728 /nfs/dbraw/zinc/14/17/28/169141728.db2.gz JVJMIVHRLZJQHY-UHFFFAOYSA-N 0 0 225.357 2.939 50 0 BFAARN O=c1cc(C(F)F)n2c3ccccc3[nH]c2n1 ZINC000036621322 183257654 /nfs/dbraw/zinc/25/76/54/183257654.db2.gz KVEUKBJPCXEROP-UHFFFAOYSA-N 0 0 235.193 2.526 50 0 BFAARN CCCN(CCC)C(=O)c1ccc(O)cc1 ZINC000019837754 169145618 /nfs/dbraw/zinc/14/56/18/169145618.db2.gz LTPNJBJGAHIXJF-UHFFFAOYSA-N 0 0 221.300 2.654 50 0 BFAARN CCCN(CCC)C(=O)c1scnc1C ZINC000046788532 169145706 /nfs/dbraw/zinc/14/57/06/169145706.db2.gz DWBOOZNIZXNNJE-UHFFFAOYSA-N 0 0 226.345 2.714 50 0 BFAARN O=c1nc(-c2ccccc2)cc(C(F)(F)F)[nH]1 ZINC000008577617 183306788 /nfs/dbraw/zinc/30/67/88/183306788.db2.gz XQQSFWKOCNZPPF-UHFFFAOYSA-N 0 0 240.184 2.868 50 0 BFAARN O=c1ccc2cc(Br)c[nH]c-2c1 ZINC000091692927 183284453 /nfs/dbraw/zinc/28/44/53/183284453.db2.gz CFJJZVMYMPQIRD-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Oc1ccc2nc(-c3ccccn3)oc2c1 ZINC000058007306 183286458 /nfs/dbraw/zinc/28/64/58/183286458.db2.gz YIHDXBMLCDWANM-UHFFFAOYSA-N 0 0 212.208 2.595 50 0 BFAARN Oc1cccc(-c2nccn2CC(F)(F)F)c1 ZINC000071708050 183287277 /nfs/dbraw/zinc/28/72/77/183287277.db2.gz URCGLCPFJVPOSK-UHFFFAOYSA-N 0 0 242.200 2.818 50 0 BFAARN Oc1cccc(OCCOc2cccc(O)c2)c1 ZINC000002140908 183293073 /nfs/dbraw/zinc/29/30/73/183293073.db2.gz DBFHCPVZZSVFJL-UHFFFAOYSA-N 0 0 246.262 2.556 50 0 BFAARN Oc1cccc(Nc2cccc(O)c2)c1 ZINC000002527895 183293213 /nfs/dbraw/zinc/29/32/13/183293213.db2.gz JSQGOXTYKZBABW-UHFFFAOYSA-N 0 0 201.225 2.841 50 0 BFAARN Oc1ccccc1-c1cc(C(F)F)no1 ZINC000000510012 183297744 /nfs/dbraw/zinc/29/77/44/183297744.db2.gz QXYFXJLVGVXIQX-UHFFFAOYSA-N 0 0 211.167 2.985 50 0 BFAARN O=c1cccc2[nH]cc(Br)cc1-2 ZINC000085223435 183298242 /nfs/dbraw/zinc/29/82/42/183298242.db2.gz NJBHLUVEQVTPCC-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Oc1ccccc1-c1cn2ccccc2n1 ZINC000032237972 183299994 /nfs/dbraw/zinc/29/99/94/183299994.db2.gz FURHXLBXCVQCNL-UHFFFAOYSA-N 0 0 210.236 2.707 50 0 BFAARN Oc1ccccc1OC(F)(F)C(F)(F)F ZINC000000160476 183303186 /nfs/dbraw/zinc/30/31/86/183303186.db2.gz KXSDGHAFJLPUNC-UHFFFAOYSA-N 0 0 228.116 2.926 50 0 BFAARN Oc1ccccc1NNc1ccccc1O ZINC000036373196 183303687 /nfs/dbraw/zinc/30/36/87/183303687.db2.gz LCROLLMFVYHCEN-UHFFFAOYSA-N 0 0 216.240 2.537 50 0 BFAARN c1cc(-c2nnc(C3CCCC3)o2)ccn1 ZINC000064556851 183331684 /nfs/dbraw/zinc/33/16/84/183331684.db2.gz GOXUUZJUMQILBG-UHFFFAOYSA-N 0 0 215.256 2.789 50 0 BFAARN O=c1[nH]c(C(F)(F)F)ccc1Br ZINC000238681405 183307482 /nfs/dbraw/zinc/30/74/82/183307482.db2.gz GJLNUKUZOFYUJJ-UHFFFAOYSA-N 0 0 241.994 2.569 50 0 BFAARN S=C(NCCc1ccccn1)c1ccccc1 ZINC000000097455 183311206 /nfs/dbraw/zinc/31/12/06/183311206.db2.gz KHUUNZRVNJULHR-UHFFFAOYSA-N 0 0 242.347 2.589 50 0 BFAARN S=C1NC2(CCCC2)Nc2ccccc21 ZINC000013573731 183312343 /nfs/dbraw/zinc/31/23/43/183312343.db2.gz CVKBGNGVPMPNQU-UHFFFAOYSA-N 0 0 218.325 2.648 50 0 BFAARN c1cc(CCSC2CCOCC2)ccn1 ZINC000131584511 183338752 /nfs/dbraw/zinc/33/87/52/183338752.db2.gz OWZGIPXJRGACKI-UHFFFAOYSA-N 0 0 223.341 2.536 50 0 BFAARN CCCNC(=O)C1=Cc2ccc(C)cc2OC=C1 ZINC000033324424 169213352 /nfs/dbraw/zinc/21/33/52/169213352.db2.gz MJIFTZSTQMGCCO-UHFFFAOYSA-N 0 0 243.306 2.811 50 0 BFAARN CCCNC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000053460166 169233671 /nfs/dbraw/zinc/23/36/71/169233671.db2.gz OCKHAHCWDAJMKU-UHFFFAOYSA-N 0 0 245.244 2.774 50 0 BFAARN CCCNC(=O)c1nc(-c2ccccc2)oc1C ZINC000013015596 169253486 /nfs/dbraw/zinc/25/34/86/169253486.db2.gz MAHLYRUWJFIJAU-UHFFFAOYSA-N 0 0 244.294 2.790 50 0 BFAARN CCCNC(=O)Nc1cccc(Cl)c1OC ZINC000002171922 169239899 /nfs/dbraw/zinc/23/98/99/169239899.db2.gz NUHRPKASPQTANG-UHFFFAOYSA-N 0 0 242.706 2.880 50 0 BFAARN CCCNC(=O)Nc1ccc(OC)cc1C ZINC000006726856 169240136 /nfs/dbraw/zinc/24/01/36/169240136.db2.gz CZXFIUFTWDZIDC-UHFFFAOYSA-N 0 0 222.288 2.535 50 0 BFAARN CCCNC(=O)Nc1ccc(C)cc1C ZINC000001640219 169240414 /nfs/dbraw/zinc/24/04/14/169240414.db2.gz ZJCZTCJPRKXFFU-UHFFFAOYSA-N 0 0 206.289 2.835 50 0 BFAARN CCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C ZINC000013710628 169242671 /nfs/dbraw/zinc/24/26/71/169242671.db2.gz KJLPSMXXGYRLBU-GFCCVEGCSA-N 0 0 235.327 2.597 50 0 BFAARN CCCNC(=O)[C@@H](C)Nc1cc(C)ccc1C ZINC000020312137 169242837 /nfs/dbraw/zinc/24/28/37/169242837.db2.gz MHKRNKBBORPNEE-GFCCVEGCSA-N 0 0 234.343 2.630 50 0 BFAARN c1nnn(-c2ccccc2)c1-c1ccccc1 ZINC000000312365 183381727 /nfs/dbraw/zinc/38/17/27/183381727.db2.gz LVMHTARDQMFJFA-UHFFFAOYSA-N 0 0 221.263 2.934 50 0 BFAARN c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000000137087 183382557 /nfs/dbraw/zinc/38/25/57/183382557.db2.gz MRNNJVNMXOZEQC-UHFFFAOYSA-N 0 0 246.335 2.647 50 0 BFAARN c1n[nH]cc1Nc1ccnc(-c2ccccc2)n1 ZINC000071803788 183383217 /nfs/dbraw/zinc/38/32/17/183383217.db2.gz KDFLCUFSKWEZCU-UHFFFAOYSA-N 0 0 237.266 2.610 50 0 BFAARN c1ccc(-c2nnc(CN3CCCCC3)o2)cc1 ZINC000005031847 183383409 /nfs/dbraw/zinc/38/34/09/183383409.db2.gz CNAFGVZRDMPLSD-UHFFFAOYSA-N 0 0 243.310 2.723 50 0 BFAARN CCCNC(=O)c1c(C)cc(C)cc1C ZINC000006741987 169249620 /nfs/dbraw/zinc/24/96/20/169249620.db2.gz BDIVJHJXIUAWAN-UHFFFAOYSA-N 0 0 205.301 2.752 50 0 BFAARN CCCNC(=O)c1cc2cc(C)ccc2nc1C ZINC000008923332 169250207 /nfs/dbraw/zinc/25/02/07/169250207.db2.gz WRMUMOWZEMIIIM-UHFFFAOYSA-N 0 0 242.322 2.991 50 0 BFAARN CCCNC(=O)c1cc2ccccc2cc1O ZINC000009499935 169250362 /nfs/dbraw/zinc/25/03/62/169250362.db2.gz GREVWZKWZIXWMX-UHFFFAOYSA-N 0 0 229.279 2.685 50 0 BFAARN CCCNC(=O)c1ccc(SC)cc1OC ZINC000002958451 169251396 /nfs/dbraw/zinc/25/13/96/169251396.db2.gz VCWGBHQBCSITDV-UHFFFAOYSA-N 0 0 239.340 2.557 50 0 BFAARN CCCOC(=O)Nc1ccccc1OC ZINC000002166545 169298495 /nfs/dbraw/zinc/29/84/95/169298495.db2.gz OPHNXUONFFXRCX-UHFFFAOYSA-N 0 0 209.245 2.654 50 0 BFAARN CCCOC(=O)c1c(C)c(C)sc1N ZINC000005793445 169300540 /nfs/dbraw/zinc/30/05/40/169300540.db2.gz NBUQZTXECPPIAG-UHFFFAOYSA-N 0 0 213.302 2.514 50 0 BFAARN c1ccc(SCCc2ccncc2)nc1 ZINC000040465553 183422864 /nfs/dbraw/zinc/42/28/64/183422864.db2.gz AUPNHKWPXBVKJL-UHFFFAOYSA-N 0 0 216.309 2.811 50 0 BFAARN CCCOc1ccc(C=O)cc1OCC ZINC000002387675 169317567 /nfs/dbraw/zinc/31/75/67/169317567.db2.gz ZOHLMEIZTKTCMI-UHFFFAOYSA-N 0 0 208.257 2.687 50 0 BFAARN CCCOc1c(F)cc(O)c(C)c1F ZINC000261493521 169314067 /nfs/dbraw/zinc/31/40/67/169314067.db2.gz CSTYMNKGFJDCFU-UHFFFAOYSA-N 0 0 202.200 2.768 50 0 BFAARN CCCNc1cc(Br)ccn1 ZINC000065337556 169293533 /nfs/dbraw/zinc/29/35/33/169293533.db2.gz VNJNFEXFJXRNDU-UHFFFAOYSA-N 0 0 215.094 2.666 50 0 BFAARN CCC[C@@H](C(=O)NCCCOC)c1ccccc1 ZINC000047465895 169343570 /nfs/dbraw/zinc/34/35/70/169343570.db2.gz FOIOHBVEOJBSAF-CQSZACIVSA-N 0 0 249.354 2.723 50 0 BFAARN CCCOc1ncc(Br)cc1C ZINC000065337541 169328372 /nfs/dbraw/zinc/32/83/72/169328372.db2.gz UJJZJPKXSPIBPV-UHFFFAOYSA-N 0 0 230.105 2.941 50 0 BFAARN c1cnc(N[C@H]2CCc3ccccc32)nc1 ZINC000012981293 183483205 /nfs/dbraw/zinc/48/32/05/183483205.db2.gz KVTNCSWPXHVLLC-LBPRGKRZSA-N 0 0 211.268 2.576 50 0 BFAARN CCC[C@@H](C)NC(=O)COc1ccc(F)cc1 ZINC000019935072 169367000 /nfs/dbraw/zinc/36/70/00/169367000.db2.gz WTDFZQASTLHIEU-SNVBAGLBSA-N 0 0 239.290 2.509 50 0 BFAARN CCC[C@@H](C)NC(=O)Nc1ccccc1 ZINC000000409074 169368909 /nfs/dbraw/zinc/36/89/09/169368909.db2.gz ZEQLEAVZSKTONP-SNVBAGLBSA-N 0 0 206.289 2.997 50 0 BFAARN CCC[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000005793859 169369150 /nfs/dbraw/zinc/36/91/50/169369150.db2.gz SZBPHCYLXXRSEU-SNVBAGLBSA-N 0 0 221.300 2.614 50 0 BFAARN CCC[C@@H](C)C(=O)NCc1cccs1 ZINC000040457622 169351247 /nfs/dbraw/zinc/35/12/47/169351247.db2.gz MKJBJKLILCGBAC-SECBINFHSA-N 0 0 211.330 2.801 50 0 BFAARN CCC[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000006779182 169352882 /nfs/dbraw/zinc/35/28/82/169352882.db2.gz NBBVWDFNCSBFNW-SECBINFHSA-N 0 0 235.283 2.790 50 0 BFAARN c1c2ccccc2oc1CNc1ncccn1 ZINC000065595949 183481349 /nfs/dbraw/zinc/48/13/49/183481349.db2.gz GZWITFYIMIHWLX-UHFFFAOYSA-N 0 0 225.251 2.835 50 0 BFAARN CCC[C@@H](C)N(C)C(=O)c1cc(Cl)ccn1 ZINC000035238948 169363951 /nfs/dbraw/zinc/36/39/51/169363951.db2.gz QXVXJNAZXSDDEM-SECBINFHSA-N 0 0 240.734 2.996 50 0 BFAARN c1csc(-c2nc(-c3cccnc3)no2)c1 ZINC000000085398 183489744 /nfs/dbraw/zinc/48/97/44/183489744.db2.gz KLZAAHMRORSLAL-UHFFFAOYSA-N 0 0 229.264 2.860 50 0 BFAARN CCC[C@@H](NCC(C)C)C(=O)OC(C)(C)C ZINC000095943143 169399861 /nfs/dbraw/zinc/39/98/61/169399861.db2.gz HRUOTMZULXSUMR-LLVKDONJSA-N 0 0 229.364 2.742 50 0 BFAARN CCC[C@@H](NC(C)=O)c1nc2ccccc2[nH]1 ZINC000096319364 169398229 /nfs/dbraw/zinc/39/82/29/169398229.db2.gz RWTBUDNOSHXENO-GFCCVEGCSA-N 0 0 231.299 2.540 50 0 BFAARN CCC[C@H](C)NC(=O)COc1cccc(C)c1C ZINC000049783158 169492560 /nfs/dbraw/zinc/49/25/60/169492560.db2.gz CHJGQYHAUPDIST-LBPRGKRZSA-N 0 0 249.354 2.987 50 0 BFAARN CCCc1cc(NC(=O)c2sccc2C)n[nH]1 ZINC000095956471 169567203 /nfs/dbraw/zinc/56/72/03/169567203.db2.gz IPXKHQJAFSJTOO-UHFFFAOYSA-N 0 0 249.339 2.984 50 0 BFAARN CCCn1c2ccc(C)cc2sc1=N ZINC000196367894 169610047 /nfs/dbraw/zinc/61/00/47/169610047.db2.gz ZRDDACIWGZYLSF-UHFFFAOYSA-N 0 0 206.314 2.901 50 0 BFAARN COc1cc(N)ccc1NC(=O)c1cccs1 ZINC000000039403 383819144 /nfs/dbraw/zinc/81/91/44/383819144.db2.gz VHUBZFLMNOXBJF-UHFFFAOYSA-N 0 0 248.307 2.591 50 0 BFAARN O=C1Cc2ccccc2-c2ccccc2N1 ZINC000065740123 383821973 /nfs/dbraw/zinc/82/19/73/383821973.db2.gz XENVIBFIIPSBJW-UHFFFAOYSA-N 0 0 209.248 2.848 50 0 in-vitro BFAARN FC(F)(F)c1ccccc1-n1ccnc1 ZINC000000156214 383835868 /nfs/dbraw/zinc/83/58/68/383835868.db2.gz WZBWBNCQUTXYEL-UHFFFAOYSA-N 0 0 212.174 2.891 50 0 in-vitro BFAARN FC(F)(F)c1ccncc1-n1cccc1 ZINC000000163237 383836996 /nfs/dbraw/zinc/83/69/96/383836996.db2.gz ZEAIUKGVRIDJHL-UHFFFAOYSA-N 0 0 212.174 2.891 50 0 BFAARN O=CN[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000000173755 383838307 /nfs/dbraw/zinc/83/83/07/383838307.db2.gz PPQYDKFQHSINPX-LBPRGKRZSA-N 0 0 248.713 2.945 50 0 BFAARN COC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000166267 383839313 /nfs/dbraw/zinc/83/93/13/383839313.db2.gz WICGATIORFSOJL-UHFFFAOYSA-N 0 0 205.040 2.780 50 0 biogenic BFAARN CC(=O)NC1([C@H]2CCCCC2=O)CCCCC1 ZINC000000190535 383841113 /nfs/dbraw/zinc/84/11/13/383841113.db2.gz OGKWIIQZJMKHDJ-LBPRGKRZSA-N 0 0 237.343 2.585 50 0 BFAARN C[C@H]1OCCN(C(=O)C2CCCCCC2)[C@@H]1C ZINC000095967981 383841318 /nfs/dbraw/zinc/84/13/18/383841318.db2.gz LDQFGXJJMPERDS-VXGBXAGGSA-N 0 0 239.359 2.593 50 0 BFAARN CC(=O)c1cc2cc(Cl)ccc2oc1=O ZINC000000175241 383842943 /nfs/dbraw/zinc/84/29/43/383842943.db2.gz VYMAEQZQRVDKQZ-UHFFFAOYSA-N 0 0 222.627 2.649 50 0 biogenic BFAARN Cc1nnc(NC(=O)c2cc(C)cc(C)c2)s1 ZINC000000187490 383843284 /nfs/dbraw/zinc/84/32/84/383843284.db2.gz RJIVVFIUBCNOOI-UHFFFAOYSA-N 0 0 247.323 2.716 50 0 BFAARN O=C1c2ccccc2[C@H]2OCc3ccccc3N12 ZINC000000213960 383844707 /nfs/dbraw/zinc/84/47/07/383844707.db2.gz HOGLTLSXJBYIMW-OAHLLOKOSA-N 0 0 237.258 2.876 50 0 BFAARN CC(=O)c1ccccc1OC(=O)c1ccco1 ZINC000000265706 383846754 /nfs/dbraw/zinc/84/67/54/383846754.db2.gz IUXXBBAXOMSNJO-UHFFFAOYSA-N 0 0 230.219 2.701 50 0 BFAARN Cc1cc(C)cc(-c2nc(CO)cs2)c1 ZINC000087493341 383848831 /nfs/dbraw/zinc/84/88/31/383848831.db2.gz LFNVTPLJRBEDGW-UHFFFAOYSA-N 0 0 219.309 2.919 50 0 BFAARN COC(=O)c1ccc2nccc(Cl)c2c1 ZINC000087493339 383848972 /nfs/dbraw/zinc/84/89/72/383848972.db2.gz LGAFXSKTJPIZMQ-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN O=CNC(Cc1ccccc1)Cc1ccccc1 ZINC000000270712 383849931 /nfs/dbraw/zinc/84/99/31/383849931.db2.gz KOFWTKQQQJTHTD-UHFFFAOYSA-N 0 0 239.318 2.586 50 0 BFAARN Cc1cccc(NC(=O)c2ccc(F)cc2)n1 ZINC000000290685 383851439 /nfs/dbraw/zinc/85/14/39/383851439.db2.gz CPNVTAMSBBMJQP-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN c1ccc(Cc2nc(-c3cccnc3)no2)cc1 ZINC000000280189 383851771 /nfs/dbraw/zinc/85/17/71/383851771.db2.gz RIEYAKOCKYBOEN-UHFFFAOYSA-N 0 0 237.262 2.722 50 0 BFAARN c1cc2n(c1)CCN=C2CCc1ccccc1 ZINC000000300843 383853758 /nfs/dbraw/zinc/85/37/58/383853758.db2.gz ZESLXYXTEXXGOI-UHFFFAOYSA-N 0 0 224.307 2.924 50 0 BFAARN O=C(CC1CCCCC1)NCc1cccnc1 ZINC000000316734 383853947 /nfs/dbraw/zinc/85/39/47/383853947.db2.gz DZKHTYNQWRQIJW-UHFFFAOYSA-N 0 0 232.327 2.668 50 0 BFAARN CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000000378691 383861643 /nfs/dbraw/zinc/86/16/43/383861643.db2.gz QSKRRXSLYFMQSJ-LLVKDONJSA-N 0 0 244.250 2.570 50 0 BFAARN Cc1ccc(SCC(=O)NCC(C)C)cc1 ZINC000000379738 383861815 /nfs/dbraw/zinc/86/18/15/383861815.db2.gz ZLTXJLLNIIBIMN-UHFFFAOYSA-N 0 0 237.368 2.859 50 0 BFAARN S=C1N=NC(c2ccc(Cl)cc2)O1 ZINC000000381037 383862188 /nfs/dbraw/zinc/86/21/88/383862188.db2.gz MUFWSGAENICYQA-UHFFFAOYSA-N 0 0 212.661 2.679 50 0 BFAARN COC(=O)c1cc2ccccc2cc1OC ZINC000000403465 383863578 /nfs/dbraw/zinc/86/35/78/383863578.db2.gz MPLSAOVNAXJHHI-UHFFFAOYSA-N 0 0 216.236 2.635 50 0 BFAARN Cc1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000000399789 383863976 /nfs/dbraw/zinc/86/39/76/383863976.db2.gz BVPMGLBJHKUDDJ-UHFFFAOYSA-N 0 0 238.333 2.889 50 0 BFAARN Cc1ccnc(NC(=O)NC2CCCCC2)c1 ZINC000000401700 383864281 /nfs/dbraw/zinc/86/42/81/383864281.db2.gz AGBUVXLVSIRNSW-UHFFFAOYSA-N 0 0 233.315 2.844 50 0 BFAARN Cc1ccc2c(Cl)c(C(N)=O)sc2c1 ZINC000000442808 383868647 /nfs/dbraw/zinc/86/86/47/383868647.db2.gz NUIWQDQQDZQXOL-UHFFFAOYSA-N 0 0 225.700 2.962 50 0 BFAARN Cc1ccc(C(=O)Nc2cccc(O)c2)o1 ZINC000000446466 383869088 /nfs/dbraw/zinc/86/90/88/383869088.db2.gz RUCCQIHGQRRLHW-UHFFFAOYSA-N 0 0 217.224 2.546 50 0 BFAARN Cc1ccc(OCC(=O)NC2CCCC2)c(C)c1 ZINC000000445041 383869787 /nfs/dbraw/zinc/86/97/87/383869787.db2.gz RNUKVIKRAXOZBA-UHFFFAOYSA-N 0 0 247.338 2.741 50 0 BFAARN Cc1ccnc(NCn2cnc3ccccc32)c1 ZINC000000493903 383871808 /nfs/dbraw/zinc/87/18/08/383871808.db2.gz OHLWQTYVMCFYLS-UHFFFAOYSA-N 0 0 238.294 2.809 50 0 BFAARN Cc1cc(C)cc(C(=O)Nc2cccnc2)c1 ZINC000000512869 383872374 /nfs/dbraw/zinc/87/23/74/383872374.db2.gz VVRRCIVKIJIALN-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN CCc1cccc(C)c1NC(=O)c1ccn(C)n1 ZINC000000483524 383872803 /nfs/dbraw/zinc/87/28/03/383872803.db2.gz ZGWSWHJSURVRDM-UHFFFAOYSA-N 0 0 243.310 2.543 50 0 BFAARN Cc1ccc(C)c(C(=O)NC2CCCC2)c1 ZINC000000514739 383874522 /nfs/dbraw/zinc/87/45/22/383874522.db2.gz XOICNFRSLRNZGV-UHFFFAOYSA-N 0 0 217.312 2.976 50 0 BFAARN O=C1O[C@@H](c2ccccc2)c2ccccc21 ZINC000000133390 383829046 /nfs/dbraw/zinc/82/90/46/383829046.db2.gz SQFMIHCARVMICF-ZDUSSCGKSA-N 0 0 210.232 2.946 50 0 biogenic BFAARN CCN(CC)c1ncnc2ccsc21 ZINC000000116614 383829268 /nfs/dbraw/zinc/82/92/68/383829268.db2.gz OHPVHZKUXSWMQB-UHFFFAOYSA-N 0 0 207.302 2.538 50 0 BFAARN CC(C)(C)c1ccc(OCC(N)=S)cc1 ZINC000000120706 383831057 /nfs/dbraw/zinc/83/10/57/383831057.db2.gz MAYZZYWCWZYHOE-UHFFFAOYSA-N 0 0 223.341 2.649 50 0 BFAARN COC(=O)c1cccc2c1-c1ccccc1C2=O ZINC000000133561 383833658 /nfs/dbraw/zinc/83/36/58/383833658.db2.gz WSTDJPDRIAZQON-UHFFFAOYSA-N 0 0 238.242 2.685 50 0 BFAARN CCCCNC(=O)c1ccc(Cl)cc1 ZINC000001597708 383909696 /nfs/dbraw/zinc/90/96/96/383909696.db2.gz WBKMAVFQCXJDDT-UHFFFAOYSA-N 0 0 211.692 2.870 50 0 BFAARN Cc1cccc(C)c1NC(=O)C(F)(F)F ZINC000001597769 383909955 /nfs/dbraw/zinc/90/99/55/383909955.db2.gz ZPEZUSBHIYTLLY-UHFFFAOYSA-N 0 0 217.190 2.804 50 0 BFAARN O=Cc1cc(Cl)ccc1OCC1CC1 ZINC000036765380 383910131 /nfs/dbraw/zinc/91/01/31/383910131.db2.gz AYEUHQWRUISSCM-UHFFFAOYSA-N 0 0 210.660 2.941 50 0 BFAARN Cc1ccc(OC(=O)c2ccccc2O)cc1 ZINC000001690598 383923414 /nfs/dbraw/zinc/92/34/14/383923414.db2.gz AMYKXJAXRJCLCV-UHFFFAOYSA-N 0 0 228.247 2.920 50 0 BFAARN Cc1cc(I)c(C)s1 ZINC000001692673 383923521 /nfs/dbraw/zinc/92/35/21/383923521.db2.gz SHOXGOWAOZUVEB-UHFFFAOYSA-N 0 0 238.093 2.970 50 0 BFAARN CCC[C@@H](O)c1ccc(OC)c(OC)c1 ZINC000001716029 383927879 /nfs/dbraw/zinc/92/78/79/383927879.db2.gz CKASWWHFEGBUKB-SNVBAGLBSA-N 0 0 210.273 2.537 50 0 BFAARN Clc1cc2n[nH]cc2cc1Br ZINC000088190177 383885064 /nfs/dbraw/zinc/88/50/64/383885064.db2.gz YDHLEEKDDBGPNU-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCO2)c(C)c1 ZINC000001002253 383885069 /nfs/dbraw/zinc/88/50/69/383885069.db2.gz SYHZQNBMJCXCSO-TZMCWYRMSA-N 0 0 247.338 2.660 50 0 BFAARN C[C@@H](NC(=O)Cc1cccs1)c1ccncc1 ZINC000001056654 383888986 /nfs/dbraw/zinc/88/89/86/383888986.db2.gz BFOBCGAWKRGVHO-SNVBAGLBSA-N 0 0 246.335 2.563 50 0 BFAARN Cc1ccc(C(=O)NCc2cccnc2)c(C)c1 ZINC000001268115 383892966 /nfs/dbraw/zinc/89/29/66/383892966.db2.gz UMJAUKLUCFFFCF-UHFFFAOYSA-N 0 0 240.306 2.628 50 0 BFAARN COC(=O)c1cc(C(=O)C2CCCCC2)c[nH]1 ZINC000001396128 383896129 /nfs/dbraw/zinc/89/61/29/383896129.db2.gz PFCVMRKPTWIDNP-UHFFFAOYSA-N 0 0 235.283 2.564 50 0 BFAARN Cc1ccc(C(=O)N[C@H](C)c2ccc(C)o2)o1 ZINC000036392495 383901099 /nfs/dbraw/zinc/90/10/99/383901099.db2.gz QIIOTTHGSQPLHW-SNVBAGLBSA-N 0 0 233.267 2.980 50 0 BFAARN CC(C)CCS(=O)(=O)Cc1cccc(F)c1 ZINC000097325326 383904503 /nfs/dbraw/zinc/90/45/03/383904503.db2.gz AJEGRQWEKMYOSJ-UHFFFAOYSA-N 0 0 244.331 2.787 50 0 BFAARN CC(C)[C@H](C)[N@@H+]1Cc2cccc(N)c2C1 ZINC000036683402 383905919 /nfs/dbraw/zinc/90/59/19/383905919.db2.gz CFLRYVYXBQEJDR-JTQLQIEISA-N 0 0 204.317 2.629 50 0 BFAARN CCCCOC(=O)C(F)(F)C(F)(F)F ZINC000002576919 383978090 /nfs/dbraw/zinc/97/80/90/383978090.db2.gz DUTTZBRMOIAYKM-UHFFFAOYSA-N 0 0 220.137 2.527 50 0 BFAARN O=C(Nc1nncs1)c1cc2ccccc2o1 ZINC000000245475 383978967 /nfs/dbraw/zinc/97/89/67/383978967.db2.gz PRHGUEHGWPXDLS-UHFFFAOYSA-N 0 0 245.263 2.537 50 0 BFAARN CC(=O)c1ccc(F)cc1N1CCCC1 ZINC000002650162 383982193 /nfs/dbraw/zinc/98/21/93/383982193.db2.gz OEBXEPGKHBCKCZ-UHFFFAOYSA-N 0 0 207.248 2.629 50 0 BFAARN O=Cc1cccn1-c1ccc(F)cc1F ZINC000002582723 383982197 /nfs/dbraw/zinc/98/21/97/383982197.db2.gz BPFNJDGVQOLORV-UHFFFAOYSA-N 0 0 207.179 2.568 50 0 BFAARN O=C(/C=C/c1cccs1)NC1CCCC1 ZINC000002741886 383987897 /nfs/dbraw/zinc/98/78/97/383987897.db2.gz NDBJCGVOOJBEPO-BQYQJAHWSA-N 0 0 221.325 2.820 50 0 BFAARN Cc1cc(C(=O)Nc2cc(F)ccc2F)no1 ZINC000002807572 383989322 /nfs/dbraw/zinc/98/93/22/383989322.db2.gz YVTMPFRLXHCHMC-UHFFFAOYSA-N 0 0 238.193 2.514 50 0 BFAARN Nc1nnc(SC/C=C/c2ccccc2)s1 ZINC000002995051 383997057 /nfs/dbraw/zinc/99/70/57/383997057.db2.gz DSHMRHVZMCWXOA-QPJJXVBHSA-N 0 0 249.364 2.926 50 0 BFAARN Cn1nc(-c2ncc[nH]2)c2c1cccc2Cl ZINC000067688433 383936135 /nfs/dbraw/zinc/93/61/35/383936135.db2.gz QWUPZROXKSKJOS-UHFFFAOYSA-N 0 0 232.674 2.617 50 0 BFAARN CC(C)N(C(=O)c1ccccc1N)C(C)C ZINC000002029139 383947123 /nfs/dbraw/zinc/94/71/23/383947123.db2.gz XQWPXEOBNTWBMH-UHFFFAOYSA-N 0 0 220.316 2.528 50 0 BFAARN CCC/C=C/c1nc2ccccc2n1CCO ZINC000067805943 383950413 /nfs/dbraw/zinc/95/04/13/383950413.db2.gz QFRAUULLVDVUBO-RUDMXATFSA-N 0 0 230.311 2.842 50 0 BFAARN CC(C)c1nccn1Cc1cccc(N)c1 ZINC000089223132 383952865 /nfs/dbraw/zinc/95/28/65/383952865.db2.gz UYMHKRACCGCPQJ-UHFFFAOYSA-N 0 0 215.300 2.637 50 0 BFAARN COC(=O)c1cccc2nc(Cl)ccc21 ZINC000068590144 384000567 /nfs/dbraw/zinc/00/05/67/384000567.db2.gz KDYIUQAXLBVZEE-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN O=Cc1cccc(OC(F)(F)C(F)F)c1 ZINC000002168368 383954660 /nfs/dbraw/zinc/95/46/60/383954660.db2.gz LAFOZKQZOGJYKC-UHFFFAOYSA-N 0 0 222.137 2.736 50 0 BFAARN CC(C)Cc1nc(-c2n[nH]c3ccccc32)n[nH]1 ZINC000067871633 383956393 /nfs/dbraw/zinc/95/63/93/383956393.db2.gz ISFCLNNFBPGXRB-UHFFFAOYSA-N 0 0 241.298 2.547 50 0 BFAARN COc1cc(Br)cc2[nH]ccc21 ZINC000002384132 383961823 /nfs/dbraw/zinc/96/18/23/383961823.db2.gz WPFDDPXFOMVGIN-UHFFFAOYSA-N 0 0 226.073 2.939 50 0 BFAARN Cc1ccc(Br)c(Cl)n1 ZINC000002384068 383961840 /nfs/dbraw/zinc/96/18/40/383961840.db2.gz JVDQYSIJBRTRMS-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(F)cc2F)no1 ZINC000002497929 383967180 /nfs/dbraw/zinc/96/71/80/383967180.db2.gz WVSYVLIFNGYXOV-UHFFFAOYSA-N 0 0 238.193 2.514 50 0 BFAARN Nc1ncccc1C(=O)NC1CCCCCCC1 ZINC000050201412 383969399 /nfs/dbraw/zinc/96/93/99/383969399.db2.gz VSNHUPPYXJRVAX-UHFFFAOYSA-N 0 0 247.342 2.507 50 0 BFAARN CC(=O)c1ccc(C(F)(F)F)nc1C ZINC000002513526 383970058 /nfs/dbraw/zinc/97/00/58/383970058.db2.gz SLRPZQQYFZSWBO-UHFFFAOYSA-N 0 0 203.163 2.611 50 0 BFAARN O=Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC000002527596 383970521 /nfs/dbraw/zinc/97/05/21/383970521.db2.gz HYHVHRUOLIQTPW-UHFFFAOYSA-N 0 0 219.190 2.839 50 0 BFAARN CC(=O)n1nc(C(F)(F)F)c(Cl)c1C ZINC000002526336 383971835 /nfs/dbraw/zinc/97/18/35/383971835.db2.gz NERAROFZQWLXHC-UHFFFAOYSA-N 0 0 226.585 2.524 50 0 BFAARN O=Cc1ccc(-c2cc(F)ccc2F)nc1 ZINC000002527592 383971908 /nfs/dbraw/zinc/97/19/08/383971908.db2.gz XDOIGFWRKIWPCR-UHFFFAOYSA-N 0 0 219.190 2.839 50 0 BFAARN CC(=O)c1c(C)oc2c1C(=O)CC(C)(C)C2 ZINC000002539543 383972852 /nfs/dbraw/zinc/97/28/52/383972852.db2.gz JEVJGZVLCMZFBG-UHFFFAOYSA-N 0 0 220.268 2.946 50 0 BFAARN O=C(c1occc1Br)C(F)(F)F ZINC000068981850 384024283 /nfs/dbraw/zinc/02/42/83/384024283.db2.gz DQJDZMPHDOXCKZ-UHFFFAOYSA-N 0 0 242.978 2.787 50 0 BFAARN CCCc1nc2c(C)nn(CC)c2c(NCC)n1 ZINC000057355866 384005545 /nfs/dbraw/zinc/00/55/45/384005545.db2.gz AIVGUPXRWGFPMD-UHFFFAOYSA-N 0 0 247.346 2.539 50 0 BFAARN CC(C)c1noc(N2CCc3ccccc3C2)n1 ZINC000089893657 384007337 /nfs/dbraw/zinc/00/73/37/384007337.db2.gz DUEJKHCHEXHLSP-UHFFFAOYSA-N 0 0 243.310 2.756 50 0 BFAARN CC(=O)Nc1nc2c(s1)Cc1ccccc1-2 ZINC000000083168 384043422 /nfs/dbraw/zinc/04/34/22/384043422.db2.gz HCXBIMUGOGJPPI-UHFFFAOYSA-N 0 0 230.292 2.673 50 0 BFAARN Nc1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC000004234612 384048018 /nfs/dbraw/zinc/04/80/18/384048018.db2.gz IEWCDCBGMJMROZ-UHFFFAOYSA-N 0 0 209.252 2.812 50 0 BFAARN CC(=O)c1c(Cl)c(Cl)cc2c1OCCO2 ZINC000003883601 384030894 /nfs/dbraw/zinc/03/08/94/384030894.db2.gz IILYXHAHYKTHBH-UHFFFAOYSA-N 0 0 247.077 2.967 50 0 BFAARN O=Cc1cccnc1-c1ccc(F)cc1 ZINC000003884531 384032302 /nfs/dbraw/zinc/03/23/02/384032302.db2.gz YKTWLDISGWOJSC-UHFFFAOYSA-N 0 0 201.200 2.700 50 0 BFAARN Cc1ccn2c(N)c(-c3cccs3)nc2c1 ZINC000003888329 384033940 /nfs/dbraw/zinc/03/39/40/384033940.db2.gz RWCXUFFPULHMEE-UHFFFAOYSA-N 0 0 229.308 2.953 50 0 BFAARN COC(=O)c1ccc2c(c1)[nH]c1c2CCCC1 ZINC000004344105 384056843 /nfs/dbraw/zinc/05/68/43/384056843.db2.gz JIKRQIFBJQYZNW-UHFFFAOYSA-N 0 0 229.279 2.833 50 0 BFAARN CC1(C)CC(=O)Nc2ccccc2S1 ZINC000004336417 384057273 /nfs/dbraw/zinc/05/72/73/384057273.db2.gz CJNGOGZCBDLPPB-UHFFFAOYSA-N 0 0 207.298 2.900 50 0 BFAARN COC(=O)/C(=C\c1ccco1)c1ccccc1 ZINC000004471601 384060648 /nfs/dbraw/zinc/06/06/48/384060648.db2.gz JJJQIAJTTBHMEW-RAXLEYEMSA-N 0 0 228.247 2.993 50 0 BFAARN CCCC(C)(C)NC(=O)c1scnc1C ZINC000050497338 384061892 /nfs/dbraw/zinc/06/18/92/384061892.db2.gz AWPVMMOHGAGDEW-UHFFFAOYSA-N 0 0 226.345 2.760 50 0 BFAARN CC(C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000049930139 384067125 /nfs/dbraw/zinc/06/71/25/384067125.db2.gz OYLHTMSRAMBCGA-SECBINFHSA-N 0 0 209.264 2.659 50 0 BFAARN O=Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000004674334 384076014 /nfs/dbraw/zinc/07/60/14/384076014.db2.gz XSFZGZIGMMWQKR-UHFFFAOYSA-N 0 0 206.632 2.543 50 0 BFAARN CC(C)CC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000038302927 384081645 /nfs/dbraw/zinc/08/16/45/384081645.db2.gz INBVDWVAPFBTHE-SWLSCSKDSA-N 0 0 249.354 2.613 50 0 BFAARN Cc1ccc(OCc2nc(C=O)cs2)cc1 ZINC000038342149 384081809 /nfs/dbraw/zinc/08/18/09/384081809.db2.gz BLJUMITVSFOABQ-UHFFFAOYSA-N 0 0 233.292 2.843 50 0 BFAARN O=C([O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000038343341 384081897 /nfs/dbraw/zinc/08/18/97/384081897.db2.gz DUBXJYDLYSDKOX-AGUYFDCRSA-N 0 0 245.322 2.514 50 0 BFAARN COC(=O)c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000005496151 384118332 /nfs/dbraw/zinc/11/83/32/384118332.db2.gz GGHKDBKLQIFIDW-UHFFFAOYSA-N 0 0 249.310 2.848 50 0 BFAARN CC(=O)OCc1cccc(Br)c1 ZINC000039318520 384111037 /nfs/dbraw/zinc/11/10/37/384111037.db2.gz LKRBJGQCGJSSSX-UHFFFAOYSA-N 0 0 229.073 2.512 50 0 BFAARN COC(=O)C1CCC2(CNc3ccccc32)CC1 ZINC000091301977 384116192 /nfs/dbraw/zinc/11/61/92/384116192.db2.gz FJBYWRPJPLSKLJ-UHFFFAOYSA-N 0 0 245.322 2.713 50 0 BFAARN COC(=O)c1cc(-c2ccc(F)cc2)ccn1 ZINC000091696076 384141349 /nfs/dbraw/zinc/14/13/49/384141349.db2.gz QGIVYJIOIXHZDB-UHFFFAOYSA-N 0 0 231.226 2.674 50 0 BFAARN CCCCc1ccccc1NS(=O)(=O)CC ZINC000006706515 384165822 /nfs/dbraw/zinc/16/58/22/384165822.db2.gz MBGGROWVTAFFHT-UHFFFAOYSA-N 0 0 241.356 2.791 50 0 BFAARN C[C@@H](N[C@@H](C)C(=O)OC(C)(C)C)[C@@H]1CC1(C)C ZINC000225611576 384166666 /nfs/dbraw/zinc/16/66/66/384166666.db2.gz YRVKSCJVCHRCEH-VWYCJHECSA-N 0 0 241.375 2.741 50 0 BFAARN Cc1ccnc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000097372791 384176992 /nfs/dbraw/zinc/17/69/92/384176992.db2.gz AANYGDVYYWPEBS-VXGBXAGGSA-N 0 0 245.326 2.654 50 0 BFAARN CCc1cccc(NC(=O)c2cc(C)on2)c1 ZINC000007311152 384177617 /nfs/dbraw/zinc/17/76/17/384177617.db2.gz YSHBVXVNERIZIP-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN CC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000007598431 384181662 /nfs/dbraw/zinc/18/16/62/384181662.db2.gz QHKGAURSZFHTPH-UHFFFAOYSA-N 0 0 234.299 2.630 50 0 BFAARN Cc1nccn1Cc1cc(C)ccc1C ZINC000041210336 384182328 /nfs/dbraw/zinc/18/23/28/384182328.db2.gz GSWOUURUFYRFHF-UHFFFAOYSA-N 0 0 200.285 2.857 50 0 BFAARN CCC[C@H](C)NC(=O)c1cccc(F)c1 ZINC000042141274 384204447 /nfs/dbraw/zinc/20/44/47/384204447.db2.gz ZMFXSLZCTHGXQQ-VIFPVBQESA-N 0 0 209.264 2.744 50 0 BFAARN N[C@H](c1ccccc1Cl)C(F)(F)F ZINC000072194729 384200054 /nfs/dbraw/zinc/20/00/54/384200054.db2.gz DLIXGNJUPCBBER-SSDOTTSWSA-N 0 0 209.598 2.902 50 0 BFAARN Cc1noc(-c2ccc(C(F)(F)F)cc2N)n1 ZINC000093432441 384237087 /nfs/dbraw/zinc/23/70/87/384237087.db2.gz XISMWECVYXUYOM-UHFFFAOYSA-N 0 0 243.188 2.646 50 0 BFAARN CN(Cc1ccccc1)C(=O)c1ccccc1N ZINC000008715903 384212761 /nfs/dbraw/zinc/21/27/61/384212761.db2.gz CUXRYZPJXWJUNG-UHFFFAOYSA-N 0 0 240.306 2.541 50 0 BFAARN CSc1ncccc1Br ZINC000042376577 384214936 /nfs/dbraw/zinc/21/49/36/384214936.db2.gz UZRUCGBRGXJVHQ-UHFFFAOYSA-N 0 0 204.092 2.566 50 0 BFAARN COc1cc(/C=C/c2ccccn2)ccc1O ZINC000008816263 384222034 /nfs/dbraw/zinc/22/20/34/384222034.db2.gz NWPLMIHYEJEBJQ-FNORWQNLSA-N 0 0 227.263 2.966 50 0 BFAARN FC(F)c1cccc(Cn2ccnc2)c1 ZINC000336409290 384224555 /nfs/dbraw/zinc/22/45/55/384224555.db2.gz FEQDLABXDYYWRV-UHFFFAOYSA-N 0 0 208.211 2.869 50 0 BFAARN CC(=O)c1csc(COc2ccccc2)n1 ZINC000000122627 384265766 /nfs/dbraw/zinc/26/57/66/384265766.db2.gz KJZVZLATESJBAT-UHFFFAOYSA-N 0 0 233.292 2.925 50 0 BFAARN CCSc1nnc(C2CC2)n1Cc1ccco1 ZINC000072738397 384266111 /nfs/dbraw/zinc/26/61/11/384266111.db2.gz LKWAYWFEJUBXLH-UHFFFAOYSA-N 0 0 249.339 2.909 50 0 BFAARN Cc1cc(C(=O)N2C[C@H](C)CCC[C@@H]2C)no1 ZINC000133890414 384317631 /nfs/dbraw/zinc/31/76/31/384317631.db2.gz YUDWABOTLWPLJX-ZJUUUORDSA-N 0 0 236.315 2.634 50 0 BFAARN C[C@@H](N(C)C(=O)c1ccoc1)C1(C)CC1 ZINC000075108223 384318200 /nfs/dbraw/zinc/31/82/00/384318200.db2.gz NGAPSGJRYUXURP-SECBINFHSA-N 0 0 207.273 2.540 50 0 BFAARN C/C=C\C(=O)N(CC)c1ccccc1C ZINC000012503076 384322959 /nfs/dbraw/zinc/32/29/59/384322959.db2.gz DNTGGZPQPQTDQF-YWEYNIOJSA-N 0 0 203.285 2.924 50 0 fda BFAARN CC[C@@H](C)Oc1ccc(C(=O)OC)cc1 ZINC000083187534 384280435 /nfs/dbraw/zinc/28/04/35/384280435.db2.gz HSFOKEFAEWVYQS-SECBINFHSA-N 0 0 208.257 2.651 50 0 BFAARN COC(=O)c1cc2ccccc2nc1Cl ZINC000044199691 384321272 /nfs/dbraw/zinc/32/12/72/384321272.db2.gz OVPJNOFBMQEIGW-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN CON(C)c1cc(C)nc(-c2cccs2)n1 ZINC000408521457 384287155 /nfs/dbraw/zinc/28/71/55/384287155.db2.gz VBQPSBZYYAVKLU-UHFFFAOYSA-N 0 0 235.312 2.511 50 0 BFAARN Cc1cc(Cn2ccc(C(C)(C)C)n2)no1 ZINC000408525314 384290753 /nfs/dbraw/zinc/29/07/53/384290753.db2.gz VYGYQZNYLGKVHZ-UHFFFAOYSA-N 0 0 219.288 2.525 50 0 BFAARN CCC[C@H](C)C(=O)OCCCc1ccncc1 ZINC000097044162 384300365 /nfs/dbraw/zinc/30/03/65/384300365.db2.gz WIFILABGPQGTAQ-LBPRGKRZSA-N 0 0 235.327 2.994 50 0 BFAARN C/C(=C/c1ccc2c(c1)CCC2)[N+](=O)[O-] ZINC000170623901 384341593 /nfs/dbraw/zinc/34/15/93/384341593.db2.gz ROWUDDDPYPRQIR-CLFYSBASSA-N 0 0 203.241 2.813 50 0 BFAARN CN(Cc1ccccc1F)C(=O)C1CCCC1 ZINC000012979410 384343521 /nfs/dbraw/zinc/34/35/21/384343521.db2.gz TYIXTKMVNPMZBF-UHFFFAOYSA-N 0 0 235.302 2.974 50 0 BFAARN CN(Cc1ccc(F)cc1)C(=O)c1ccco1 ZINC000012979442 384344407 /nfs/dbraw/zinc/34/44/07/384344407.db2.gz OTNMSXMPRGUZGK-UHFFFAOYSA-N 0 0 233.242 2.691 50 0 BFAARN CC(=O)N(Cc1ccccc1)c1ccccn1 ZINC000000030085 384345577 /nfs/dbraw/zinc/34/55/77/384345577.db2.gz VXSDIASFKMKUEH-UHFFFAOYSA-N 0 0 226.279 2.635 50 0 BFAARN C[C@H](NC(=O)c1ccco1)c1cccc(F)c1 ZINC000013012447 384347659 /nfs/dbraw/zinc/34/76/59/384347659.db2.gz WPCHGEWAFPPQTR-VIFPVBQESA-N 0 0 233.242 2.910 50 0 BFAARN CC(=O)c1nc(-c2ccccc2)[nH]c1C ZINC000013239091 384352961 /nfs/dbraw/zinc/35/29/61/384352961.db2.gz RAFHDKLDMHYNOT-UHFFFAOYSA-N 0 0 200.241 2.588 50 0 BFAARN CCN(C)C(=O)NCc1cccc(Cl)c1 ZINC000071854049 384357131 /nfs/dbraw/zinc/35/71/31/384357131.db2.gz WHCABGVLGXCLEB-UHFFFAOYSA-N 0 0 226.707 2.501 50 0 BFAARN Fc1cccc(C(F)(F)F)c1N1CCOCC1 ZINC000095081258 384358183 /nfs/dbraw/zinc/35/81/83/384358183.db2.gz OFDAGSXRWQKQSR-UHFFFAOYSA-N 0 0 249.207 2.681 50 0 BFAARN Cc1ccc(NC(=O)c2ccccc2)cn1 ZINC000095347736 384368358 /nfs/dbraw/zinc/36/83/58/384368358.db2.gz GWNPFHPYBCTUMH-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN Cc1ccc(C(=O)c2cccc(C)c2)nc1 ZINC000045028529 384369673 /nfs/dbraw/zinc/36/96/73/384369673.db2.gz XEMHJWSILIBAPR-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN Cc1cc(Br)ccc1-n1cccn1 ZINC000095348315 384370695 /nfs/dbraw/zinc/37/06/95/384370695.db2.gz QUZDFTSXLKGXGF-UHFFFAOYSA-N 0 0 237.100 2.943 50 0 BFAARN O=C(/C=C/c1ccc(Cl)cc1)NC1CC1 ZINC000000472982 384326075 /nfs/dbraw/zinc/32/60/75/384326075.db2.gz RAQMJTXZWPGVRT-FPYGCLRLSA-N 0 0 221.687 2.632 50 0 BFAARN CCC[C@H](C)NC(=O)c1ccc(F)cc1 ZINC000000441756 384326254 /nfs/dbraw/zinc/32/62/54/384326254.db2.gz OUFYAVNREBEKGV-VIFPVBQESA-N 0 0 209.264 2.744 50 0 BFAARN C[C@H](NC(=O)c1[nH]ncc1Cl)c1ccccc1 ZINC000012649526 384329851 /nfs/dbraw/zinc/32/98/51/384329851.db2.gz ZGLSUEOBTSRJBL-QMMMGPOBSA-N 0 0 249.701 2.554 50 0 BFAARN COC(=O)C(F)(F)c1ccc(Cl)cc1 ZINC000095774108 384395328 /nfs/dbraw/zinc/39/53/28/384395328.db2.gz IVEJHYQFZLKTCM-UHFFFAOYSA-N 0 0 220.602 2.605 50 0 BFAARN CCCCNC(=O)c1ccc(OCC)cc1 ZINC000001566655 384402656 /nfs/dbraw/zinc/40/26/56/384402656.db2.gz RNHJLBPPHPMRHT-UHFFFAOYSA-N 0 0 221.300 2.615 50 0 BFAARN Fc1cc(Br)ccc1-c1cc[nH]n1 ZINC000095884006 384404199 /nfs/dbraw/zinc/40/41/99/384404199.db2.gz YAYHHBUQIXUYRV-UHFFFAOYSA-N 0 0 241.063 2.978 50 0 BFAARN O=C1Nc2ccccc2[C@@H]2CCCC[C@H]12 ZINC000001579167 384408104 /nfs/dbraw/zinc/40/81/04/384408104.db2.gz IZYIINICADMQJQ-ONGXEEELSA-N 0 0 201.269 2.913 50 0 BFAARN Cc1n[nH]c2cc(Br)c(F)cc12 ZINC000095917739 384408420 /nfs/dbraw/zinc/40/84/20/384408420.db2.gz ZNFWMSIESUUWJQ-UHFFFAOYSA-N 0 0 229.052 2.773 50 0 BFAARN CN1C(=O)C[C@H]2c3ccccc3O[C@@]13CCC[C@@H]23 ZINC000015023671 384419470 /nfs/dbraw/zinc/41/94/70/384419470.db2.gz WCHBGJWZFJETEI-SLEUVZQESA-N 0 0 243.306 2.521 50 0 BFAARN CSCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000012979215 384420991 /nfs/dbraw/zinc/42/09/91/384420991.db2.gz ZJAWOHJOQYJXTH-UHFFFAOYSA-N 0 0 229.732 2.950 50 0 BFAARN CC(C)(C)OC(=O)Nc1cccc(F)c1C=O ZINC000095635076 384385480 /nfs/dbraw/zinc/38/54/80/384385480.db2.gz IMQRAIIYXDNFTK-UHFFFAOYSA-N 0 0 239.246 2.985 50 0 BFAARN Clc1nn([C@@H]2CCCCO2)c2ncccc12 ZINC000095631280 384385798 /nfs/dbraw/zinc/38/57/98/384385798.db2.gz ZZQKCJGYBPSTKZ-VIFPVBQESA-N 0 0 237.690 2.784 50 0 BFAARN Cc1ccc([C@H]2CCC[N@@H+]2CCC(=O)[O-])cc1C ZINC000237792289 384386082 /nfs/dbraw/zinc/38/60/82/384386082.db2.gz NVIFSUVBTMEGCJ-CQSZACIVSA-N 0 0 247.338 2.915 50 0 BFAARN Cc1cc(C)c(OCC(=O)N(C)C2CC2)c(C)c1 ZINC000032814903 384386141 /nfs/dbraw/zinc/38/61/41/384386141.db2.gz VMBLKUSEAMXIOZ-UHFFFAOYSA-N 0 0 247.338 2.611 50 0 BFAARN O=C(CC[C@H]1CCCO1)OC[C@@H]1CC=CCC1 ZINC000097213160 384445628 /nfs/dbraw/zinc/44/56/28/384445628.db2.gz AWIUNVJQQPDLIL-CHWSQXEVSA-N 0 0 238.327 2.845 50 0 BFAARN CCc1ccc(NC(=O)Nc2ccon2)cc1 ZINC000015952170 384448063 /nfs/dbraw/zinc/44/80/63/384448063.db2.gz DUYZDWUYRVALKD-UHFFFAOYSA-N 0 0 231.255 2.881 50 0 BFAARN Cc1ccc(NC(=O)OCC(F)(F)F)cn1 ZINC000096300632 384451960 /nfs/dbraw/zinc/45/19/60/384451960.db2.gz QQBOHOPPIIQUSY-UHFFFAOYSA-N 0 0 234.177 2.501 50 0 BFAARN Cc1cc(C)cc(C(=O)NCc2ccccn2)c1 ZINC000000496691 384455815 /nfs/dbraw/zinc/45/58/15/384455815.db2.gz NWMRLCLEASCQCO-UHFFFAOYSA-N 0 0 240.306 2.628 50 0 BFAARN CSc1n[nH]c(-c2c[nH]c3ccc(C)cc23)n1 ZINC000096132671 384436970 /nfs/dbraw/zinc/43/69/70/384436970.db2.gz MDLATYNBEFBRIB-UHFFFAOYSA-N 0 0 244.323 2.983 50 0 BFAARN CCOc1ccc(-c2c(C)n[nH]c2COC)cc1 ZINC000096142014 384436981 /nfs/dbraw/zinc/43/69/81/384436981.db2.gz TWFRCMXAYBGZJI-UHFFFAOYSA-N 0 0 246.310 2.930 50 0 BFAARN Cc1ccc(C)c(-c2nc([C@H]3CCOC3)no2)c1 ZINC000096162418 384440977 /nfs/dbraw/zinc/44/09/77/384440977.db2.gz UYQKERXORMFIAN-NSHDSACASA-N 0 0 244.294 2.857 50 0 BFAARN COC(=O)c1cc(F)c(F)c(Cl)c1F ZINC000047202282 384443437 /nfs/dbraw/zinc/44/34/37/384443437.db2.gz MKOVSUSDISTLPH-UHFFFAOYSA-N 0 0 224.565 2.544 50 0 BFAARN CCc1ccc(Nc2ncccc2N)cc1 ZINC000015864733 384444156 /nfs/dbraw/zinc/44/41/56/384444156.db2.gz CVOVVCDULLXROA-UHFFFAOYSA-N 0 0 213.284 2.970 50 0 BFAARN C[C@@H](C(=O)Nc1ccncc1F)c1ccccc1 ZINC000165326838 384459660 /nfs/dbraw/zinc/45/96/60/384459660.db2.gz CLSBITPACBZERF-SNVBAGLBSA-N 0 0 244.269 2.963 50 0 BFAARN Cc1cncc(C(=O)Nc2c(C)cccc2O)c1 ZINC000097233709 384463216 /nfs/dbraw/zinc/46/32/16/384463216.db2.gz YFRSCAYVDUECIT-UHFFFAOYSA-N 0 0 242.278 2.656 50 0 BFAARN O=C([O-])CC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000238160312 384467359 /nfs/dbraw/zinc/46/73/59/384467359.db2.gz TVHQFCXFEQREKM-CYBMUJFWSA-N 0 0 239.359 2.896 50 0 BFAARN C[C@@H](O)c1ccc(Br)cc1F ZINC000078803098 384467638 /nfs/dbraw/zinc/46/76/38/384467638.db2.gz MASZUNQDCHMJEP-RXMQYKEDSA-N 0 0 219.053 2.642 50 0 BFAARN Cc1ccc(O[C@H](C)C2N=NC(=S)N2C)cc1 ZINC000016973678 384475332 /nfs/dbraw/zinc/47/53/32/384475332.db2.gz IJHSPALLUGDQLM-SECBINFHSA-N 0 0 249.339 2.552 50 0 BFAARN c1coc(CNc2ccc3cn[nH]c3c2)c1 ZINC000096781090 384476435 /nfs/dbraw/zinc/47/64/35/384476435.db2.gz MSJLCOOJSOLLPK-UHFFFAOYSA-N 0 0 213.240 2.768 50 0 BFAARN CC(C)(C)CCn1ccnc1[C@@H](O)c1ccco1 ZINC000187237396 384500699 /nfs/dbraw/zinc/50/06/99/384500699.db2.gz ZQMYWFMLZJFRME-LBPRGKRZSA-N 0 0 248.326 2.994 50 0 BFAARN Cc1ncsc1C(=O)N(CC(C)C)C1CC1 ZINC000071972089 384534808 /nfs/dbraw/zinc/53/48/08/384534808.db2.gz VWEMPVJRQIQTDI-UHFFFAOYSA-N 0 0 238.356 2.712 50 0 BFAARN Cc1n[nH]cc1Nc1nc(C(C)(C)C)ns1 ZINC000158838423 384515136 /nfs/dbraw/zinc/51/51/36/384515136.db2.gz XIKHBFAXOIMYFM-UHFFFAOYSA-N 0 0 237.332 2.611 50 0 BFAARN CCC[C@H](C(=O)c1ccccc1)n1cncn1 ZINC000000099057 384526903 /nfs/dbraw/zinc/52/69/03/384526903.db2.gz GIASLOOCOYGRGM-GFCCVEGCSA-N 0 0 229.283 2.502 50 0 BFAARN O=C([O-])CC1CC[NH+](C2CCCCC2)CC1 ZINC000019685918 384530867 /nfs/dbraw/zinc/53/08/67/384530867.db2.gz VBBMBKQSOWAEPV-UHFFFAOYSA-N 0 0 225.332 2.506 50 0 BFAARN CC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000019871215 384543683 /nfs/dbraw/zinc/54/36/83/384543683.db2.gz UXDNEPLQPGLYHW-UHFFFAOYSA-N 0 0 214.268 2.692 50 0 BFAARN CSC[C@@H](C)C(=O)Nc1cc2cc[nH]c2cn1 ZINC000585090756 384547030 /nfs/dbraw/zinc/54/70/30/384547030.db2.gz FGYJYWOKQNOATM-MRVPVSSYSA-N 0 0 249.339 2.501 50 0 BFAARN COC(=O)c1ccncc1-c1ccc(F)cc1 ZINC000097757057 384553963 /nfs/dbraw/zinc/55/39/63/384553963.db2.gz LGAAMTQKVNLMSH-UHFFFAOYSA-N 0 0 231.226 2.674 50 0 BFAARN COC(=O)c1ccc(-c2cncc(OC)c2)cc1 ZINC000097757384 384555352 /nfs/dbraw/zinc/55/53/52/384555352.db2.gz XKEFPLVPYMBLPU-UHFFFAOYSA-N 0 0 243.262 2.544 50 0 BFAARN CCOc1ccccc1/C(C)=C/[N+](=O)[O-] ZINC000098063818 384586516 /nfs/dbraw/zinc/58/65/16/384586516.db2.gz ORMRKDPAGNMHDU-CMDGGOBGSA-N 0 0 207.229 2.723 50 0 BFAARN CC(=O)c1cccc(OCc2cc(C)no2)c1 ZINC000020253850 384606804 /nfs/dbraw/zinc/60/68/04/384606804.db2.gz XDFCWJUTMYOKRR-UHFFFAOYSA-N 0 0 231.251 2.765 50 0 BFAARN O=Cc1ccc2ccn(Cc3cccnc3)c2c1 ZINC000020479396 384620309 /nfs/dbraw/zinc/62/03/09/384620309.db2.gz WXIZNAYFQMKSAK-UHFFFAOYSA-N 0 0 236.274 2.897 50 0 BFAARN Cc1n[nH]c(=S)n1CCc1cccs1 ZINC000020590624 384624154 /nfs/dbraw/zinc/62/41/54/384624154.db2.gz UBMNZCVWJASSKA-UHFFFAOYSA-N 0 0 225.342 2.553 50 0 BFAARN Fc1cccc(-n2ncc3cnc(Cl)cc32)n1 ZINC000098181733 384601374 /nfs/dbraw/zinc/60/13/74/384601374.db2.gz MLPYVNPNOBYVSV-UHFFFAOYSA-N 0 0 248.648 2.608 50 0 BFAARN CC(=O)CSc1ccc2ccccc2n1 ZINC000011612782 384666196 /nfs/dbraw/zinc/66/61/96/384666196.db2.gz UZFZKFUGCZFXES-UHFFFAOYSA-N 0 0 217.293 2.916 50 0 BFAARN Nc1ccc(Cl)cc1OCC(F)F ZINC000051608918 384676248 /nfs/dbraw/zinc/67/62/48/384676248.db2.gz GSQNKCGPPXQHQB-UHFFFAOYSA-N 0 0 207.607 2.566 50 0 BFAARN O=Cc1cnc2cc(Br)ccc2c1 ZINC000082331842 384668708 /nfs/dbraw/zinc/66/87/08/384668708.db2.gz XQKNZUWXMUYLKO-UHFFFAOYSA-N 0 0 236.068 2.810 50 0 BFAARN c1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000082046789 384644577 /nfs/dbraw/zinc/64/45/77/384644577.db2.gz HQSUSJJXHQQHAV-UHFFFAOYSA-N 0 0 230.336 2.701 50 0 BFAARN CSc1nc2ccccc2c(C)c1N ZINC000075605149 384648261 /nfs/dbraw/zinc/64/82/61/384648261.db2.gz HUGQPSWFGJJGLR-UHFFFAOYSA-N 0 0 204.298 2.847 50 0 BFAARN Cc1sccc1C(=O)N1CCC[C@@H]1CF ZINC000295700674 384686107 /nfs/dbraw/zinc/68/61/07/384686107.db2.gz XOQXYWXTWSVACZ-SECBINFHSA-N 0 0 227.304 2.631 50 0 BFAARN Cc1c(O)ccc2c(C(F)(F)F)cc(=O)oc12 ZINC000000451432 384690067 /nfs/dbraw/zinc/69/00/67/384690067.db2.gz LMPLCARGCBBRAW-UHFFFAOYSA-N 0 0 244.168 2.826 50 0 BFAARN C[C@@H](CCc1cccn1C)Nc1ccccn1 ZINC000078423487 384711619 /nfs/dbraw/zinc/71/16/19/384711619.db2.gz PBCJZTIZFGGTTH-LBPRGKRZSA-N 0 0 229.327 2.853 50 0 BFAARN O=Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000021987659 384717812 /nfs/dbraw/zinc/71/78/12/384717812.db2.gz RZNRQVIXISJXTK-UHFFFAOYSA-N 0 0 225.247 2.751 50 0 BFAARN C/C=C/C=C/C(=O)N1CCC[C@@H]1c1cccn1C ZINC000079355389 384717954 /nfs/dbraw/zinc/71/79/54/384717954.db2.gz SCIQQHYMHQQSET-HXWHAGAYSA-N 0 0 244.338 2.821 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc(O)c(F)c1 ZINC000082878345 384721528 /nfs/dbraw/zinc/72/15/28/384721528.db2.gz OBQLFQPJLCJDAX-UHFFFAOYSA-N 0 0 227.235 2.878 50 0 BFAARN O=C(/C=C\c1ccccc1)Nc1ccncc1 ZINC000033301994 384741153 /nfs/dbraw/zinc/74/11/53/384741153.db2.gz DGOCCFYFFJOZQM-SREVYHEPSA-N 0 0 224.263 2.734 50 0 BFAARN O=C1CCCc2cc3c(cc2N1)CCCC3 ZINC000057939302 384748084 /nfs/dbraw/zinc/74/80/84/384748084.db2.gz WIBQCHIBJSOAJR-UHFFFAOYSA-N 0 0 215.296 2.840 50 0 BFAARN Cc1ccn2c(c1)nnc2NCc1cccs1 ZINC000125955007 384762001 /nfs/dbraw/zinc/76/20/01/384762001.db2.gz GQQMWDPVZDCEGZ-UHFFFAOYSA-N 0 0 244.323 2.711 50 0 BFAARN CC(C)[C@H](C)CC(=O)N[C@@H]1CCC[C@H]1C ZINC000084691760 384762756 /nfs/dbraw/zinc/76/27/56/384762756.db2.gz NKVNHQJBZCFEHP-IJLUTSLNSA-N 0 0 211.349 2.973 50 0 BFAARN CC(C)Cn1cnc2c1c1ccccc1oc2=O ZINC000012382420 384767498 /nfs/dbraw/zinc/76/74/98/384767498.db2.gz IFFJUODAFLMRLJ-UHFFFAOYSA-N 0 0 242.278 2.799 50 0 BFAARN Cc1occc1C(=O)Nc1ccc(C)c(O)c1 ZINC000085203431 384769246 /nfs/dbraw/zinc/76/92/46/384769246.db2.gz NCPDQJFYPPCSSX-UHFFFAOYSA-N 0 0 231.251 2.854 50 0 BFAARN c1cnc2nc(-c3ccc4c(c3)CCN4)oc2c1 ZINC000082548739 384770703 /nfs/dbraw/zinc/77/07/03/384770703.db2.gz HZYMRNZAIMRZNH-UHFFFAOYSA-N 0 0 237.262 2.858 50 0 BFAARN COC(=O)Nc1ccc(Br)c(F)c1 ZINC000083826901 384800826 /nfs/dbraw/zinc/80/08/26/384800826.db2.gz DKQFMIYZLHXFOX-UHFFFAOYSA-N 0 0 248.051 2.767 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000023584071 384801252 /nfs/dbraw/zinc/80/12/52/384801252.db2.gz KEDJQFLLRPRICD-QWRRMZHUSA-N 0 0 233.355 2.727 50 0 BFAARN Cc1cc(C(=O)N[C@@H](C)c2ccccc2F)on1 ZINC000023544708 384801311 /nfs/dbraw/zinc/80/13/11/384801311.db2.gz CDAZPJKFPYFINX-VIFPVBQESA-N 0 0 248.257 2.613 50 0 BFAARN C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCC(=O)[O-] ZINC000175603958 384803454 /nfs/dbraw/zinc/80/34/54/384803454.db2.gz UHKGQOAKWZRNDI-JSGCOSHPSA-N 0 0 247.338 2.729 50 0 BFAARN Cc1occc1C(=O)N(C)C1CCCC1 ZINC000032845579 384869982 /nfs/dbraw/zinc/86/99/82/384869982.db2.gz PXSHIJLKHUGVTP-UHFFFAOYSA-N 0 0 207.273 2.603 50 0 BFAARN CC[C@@H](C)N(Cc1c[nH]cn1)Cc1cccnc1 ZINC000055196071 384874248 /nfs/dbraw/zinc/87/42/48/384874248.db2.gz LNFKCNVWNMWXBS-GFCCVEGCSA-N 0 0 244.342 2.605 50 0 BFAARN O=Cc1c(Cl)cccc1Br ZINC000026545145 384876082 /nfs/dbraw/zinc/87/60/82/384876082.db2.gz NUGMENVSVAURGO-UHFFFAOYSA-N 0 0 219.465 2.915 50 0 BFAARN Cc1cc(Br)c(F)cc1C=O ZINC000026893632 384882902 /nfs/dbraw/zinc/88/29/02/384882902.db2.gz XTCHJHTWCZHFQJ-UHFFFAOYSA-N 0 0 217.037 2.709 50 0 BFAARN CC(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000055524118 384887421 /nfs/dbraw/zinc/88/74/21/384887421.db2.gz HLRMXIMGJPUMPJ-LBPRGKRZSA-N 0 0 237.730 2.893 50 0 BFAARN CC(=O)c1sc(-c2ccco2)nc1C ZINC000025204432 384843021 /nfs/dbraw/zinc/84/30/21/384843021.db2.gz ZKMULVQCTKFVTO-UHFFFAOYSA-N 0 0 207.254 2.914 50 0 BFAARN Cc1nc(C)c(Br)c(Cl)n1 ZINC000025491403 384850747 /nfs/dbraw/zinc/85/07/47/384850747.db2.gz BZQXOFCIHJDLCR-UHFFFAOYSA-N 0 0 221.485 2.509 50 0 BFAARN CC(=O)NCC1(Nc2ccccc2C)CCCC1 ZINC000583651108 384860489 /nfs/dbraw/zinc/86/04/89/384860489.db2.gz FMQZBTHJXYCRNU-UHFFFAOYSA-N 0 0 246.354 2.856 50 0 BFAARN O=C(Oc1ccc2c(c1)CCC2=O)c1ccoc1 ZINC000187577966 384895975 /nfs/dbraw/zinc/89/59/75/384895975.db2.gz SELXYIPTCPJUKO-UHFFFAOYSA-N 0 0 242.230 2.628 50 0 BFAARN COC(=O)c1ccc(-c2ncccc2F)cc1 ZINC000085210160 384927405 /nfs/dbraw/zinc/92/74/05/384927405.db2.gz GUTJJFZNPUJZKT-UHFFFAOYSA-N 0 0 231.226 2.674 50 0 BFAARN Cc1ccc(CC(=O)OC[C@@H]2CC=CCC2)cn1 ZINC000127683950 384934526 /nfs/dbraw/zinc/93/45/26/384934526.db2.gz HXGYHMJQBHOMMN-CYBMUJFWSA-N 0 0 245.322 2.832 50 0 BFAARN Cc1ccc(CC(=O)OC[C@H]2CC=CCC2)cn1 ZINC000127683718 384935569 /nfs/dbraw/zinc/93/55/69/384935569.db2.gz HXGYHMJQBHOMMN-ZDUSSCGKSA-N 0 0 245.322 2.832 50 0 BFAARN Cc1cc(CN(C)Cc2ccc(C)cc2)no1 ZINC000058024656 384978379 /nfs/dbraw/zinc/97/83/79/384978379.db2.gz SMLAXBDUMGHGDG-UHFFFAOYSA-N 0 0 230.311 2.923 50 0 BFAARN COC(=O)c1cccc(NC(=O)C(C)(C)C)c1C ZINC000029159031 384983882 /nfs/dbraw/zinc/98/38/82/384983882.db2.gz PAJVPYLCSWRWJT-UHFFFAOYSA-N 0 0 249.310 2.766 50 0 BFAARN CC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000058208961 384990026 /nfs/dbraw/zinc/99/00/26/384990026.db2.gz LPLROIOPDNBYAR-UHFFFAOYSA-N 0 0 230.311 2.729 50 0 BFAARN CO[C@@H](C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000058268322 384991779 /nfs/dbraw/zinc/99/17/79/384991779.db2.gz BTSOEYUCMSYGQL-WFASDCNBSA-N 0 0 249.354 2.925 50 0 BFAARN C/C=C/C=C/C(=O)N[C@H](C)CCc1ccco1 ZINC000058264023 384993197 /nfs/dbraw/zinc/99/31/97/384993197.db2.gz HFTDWUGTWBUTMO-CZEJMOPWSA-N 0 0 233.311 2.849 50 0 BFAARN O=C(/C=C\c1cccnc1)Nc1cccc(F)c1 ZINC000098054408 384993474 /nfs/dbraw/zinc/99/34/74/384993474.db2.gz UMYWXISSWBGHDH-SREVYHEPSA-N 0 0 242.253 2.873 50 0 BFAARN CCOC(=O)c1csc(-c2ccc(O)cc2)n1 ZINC000058291960 384994963 /nfs/dbraw/zinc/99/49/63/384994963.db2.gz ZKQDDUPBNHWQGO-UHFFFAOYSA-N 0 0 249.291 2.692 50 0 BFAARN CC(=O)c1cccc(NC(=O)CC(C)C)c1 ZINC000005284497 385005554 /nfs/dbraw/zinc/00/55/54/385005554.db2.gz NTWGKONPUYXWIM-UHFFFAOYSA-N 0 0 219.284 2.874 50 0 BFAARN CC(=O)c1cccc(F)c1Br ZINC000059796763 385054575 /nfs/dbraw/zinc/05/45/75/385054575.db2.gz WBMUEFOEEVGDNQ-UHFFFAOYSA-N 0 0 217.037 2.791 50 0 BFAARN FC(F)(F)[C@@]1(c2ccccc2)CCCN1 ZINC000060280101 385077629 /nfs/dbraw/zinc/07/76/29/385077629.db2.gz SFSYMZXWRKWMMD-JTQLQIEISA-N 0 0 215.218 2.828 50 0 BFAARN CC(C)CCC(=O)NCc1cccc(N(C)C)c1 ZINC000072051773 385043905 /nfs/dbraw/zinc/04/39/05/385043905.db2.gz MVWCEBABSAWBTQ-UHFFFAOYSA-N 0 0 248.370 2.805 50 0 BFAARN c1coc(CSCc2cnns2)c1 ZINC000287590365 385114464 /nfs/dbraw/zinc/11/44/64/385114464.db2.gz RIEZYGWVKNGYDX-UHFFFAOYSA-N 0 0 212.299 2.565 50 0 BFAARN CCCCNC(=O)N1CCCC[C@@H]1CC ZINC000006699783 385134716 /nfs/dbraw/zinc/13/47/16/385134716.db2.gz PTAJIXYWFQSSCR-NSHDSACASA-N 0 0 212.337 2.761 50 0 BFAARN Nc1ncc2cc(Cl)c(Cl)cc2n1 ZINC000032249894 385140185 /nfs/dbraw/zinc/14/01/85/385140185.db2.gz OGBCMMGCLNFANJ-UHFFFAOYSA-N 0 0 214.055 2.519 50 0 BFAARN CC(=O)c1ccccc1NC(=O)C1CCC1 ZINC000006342679 385102073 /nfs/dbraw/zinc/10/20/73/385102073.db2.gz DOZDFEFQAACCES-UHFFFAOYSA-N 0 0 217.268 2.628 50 0 BFAARN COC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000083161163 385141001 /nfs/dbraw/zinc/14/10/01/385141001.db2.gz LMGZMFMLMVLGTL-UHFFFAOYSA-N 0 0 237.642 2.782 50 0 BFAARN C=CC(=O)N(CC)Cc1ccc2ccccc2n1 ZINC000328600093 385189058 /nfs/dbraw/zinc/18/90/58/385189058.db2.gz VMZSYEQNIBYNCY-UHFFFAOYSA-N 0 0 240.306 2.769 50 0 BFAARN Cc1ccnc(NC(=O)Nc2cc(C)ccn2)c1 ZINC000032916896 385190364 /nfs/dbraw/zinc/19/03/64/385190364.db2.gz PWWGYNUFWIWEIZ-UHFFFAOYSA-N 0 0 242.282 2.737 50 0 BFAARN CN(Cc1ccccc1Cl)C(=O)C1CC1 ZINC000032962330 385192816 /nfs/dbraw/zinc/19/28/16/385192816.db2.gz ANFQIEVJGZXDMF-UHFFFAOYSA-N 0 0 223.703 2.708 50 0 BFAARN CN(Cc1cccc(F)c1)C(=O)C1CCC1 ZINC000033000194 385195738 /nfs/dbraw/zinc/19/57/38/385195738.db2.gz FYXIERUJXFGBBN-UHFFFAOYSA-N 0 0 221.275 2.584 50 0 BFAARN CSc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000012919176 385147753 /nfs/dbraw/zinc/14/77/53/385147753.db2.gz GXGHPVRNQCNNKP-UHFFFAOYSA-N 0 0 223.341 2.855 50 0 BFAARN CCCC(=O)NC[C@@H]1CCCN1c1ccccc1 ZINC000206784676 385157135 /nfs/dbraw/zinc/15/71/35/385157135.db2.gz LXLPQIHZVVNPIO-AWEZNQCLSA-N 0 0 246.354 2.572 50 0 BFAARN CCCC(=O)N[C@H](C)c1c(F)cccc1OC ZINC000096425695 385165129 /nfs/dbraw/zinc/16/51/29/385165129.db2.gz DGVODMMTDKYMDL-SECBINFHSA-N 0 0 239.290 2.812 50 0 BFAARN Cc1cc(C)n(CCOc2cccc(F)c2)n1 ZINC000096428921 385165184 /nfs/dbraw/zinc/16/51/84/385165184.db2.gz KQDBLOGMONOFCN-UHFFFAOYSA-N 0 0 234.274 2.718 50 0 BFAARN c1cnc(N2CCC3(C2)CCCCC3)cn1 ZINC000096429734 385165963 /nfs/dbraw/zinc/16/59/63/385165963.db2.gz WIZQJJNTLZHXMY-UHFFFAOYSA-N 0 0 217.316 2.637 50 0 BFAARN CC[C@H](S[C@@H](C)C(N)=O)c1ccccc1 ZINC000096433444 385167480 /nfs/dbraw/zinc/16/74/80/385167480.db2.gz SPKWWCUKZDHUEG-ONGXEEELSA-N 0 0 223.341 2.745 50 0 BFAARN CNc1nc(C(F)(F)F)nc2ccccc21 ZINC000032544617 385169613 /nfs/dbraw/zinc/16/96/13/385169613.db2.gz IPHDZBOXSCMXAC-UHFFFAOYSA-N 0 0 227.189 2.690 50 0 BFAARN Cc1c(N)cccc1-c1nnc2n1CCCCC2 ZINC000032626954 385175877 /nfs/dbraw/zinc/17/58/77/385175877.db2.gz DCCJGJQHVLKHSQ-UHFFFAOYSA-N 0 0 242.326 2.562 50 0 BFAARN O=Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000032627801 385176103 /nfs/dbraw/zinc/17/61/03/385176103.db2.gz RIMOQNXDOVWXGJ-UHFFFAOYSA-N 0 0 240.184 2.704 50 0 BFAARN CC(C)[C@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000096454043 385176269 /nfs/dbraw/zinc/17/62/69/385176269.db2.gz VYPPPEXWROLDMF-GHMZBOCLSA-N 0 0 243.347 2.572 50 0 BFAARN CC(=O)NCc1c(Cl)cccc1Cl ZINC000000139679 385176863 /nfs/dbraw/zinc/17/68/63/385176863.db2.gz MDSIORNLJCVXLC-UHFFFAOYSA-N 0 0 218.083 2.630 50 0 in-vitro BFAARN Cc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)o1 ZINC000005618443 385229311 /nfs/dbraw/zinc/22/93/11/385229311.db2.gz CEJRJPOCDXJGHC-UWVGGRQHSA-N 0 0 221.300 2.991 50 0 BFAARN O=Cc1cc(F)c(F)cc1Br ZINC000063772318 385235375 /nfs/dbraw/zinc/23/53/75/385235375.db2.gz ZHSZEWFWVDLMDL-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN C[C@H](NC(=O)OC(C)(C)C)c1ccc(N)cc1 ZINC000033465775 385238907 /nfs/dbraw/zinc/23/89/07/385238907.db2.gz COSXQRGJLFEFGJ-VIFPVBQESA-N 0 0 236.315 2.855 50 0 BFAARN CCc1ccccc1OCC(=O)NC(C)(C)C ZINC000000131470 385250433 /nfs/dbraw/zinc/25/04/33/385250433.db2.gz RPYMNUOVFXNTAH-UHFFFAOYSA-N 0 0 235.327 2.543 50 0 BFAARN CC(C)N(Cc1nccn1C)Cc1ccccc1 ZINC000065373746 385302886 /nfs/dbraw/zinc/30/28/86/385302886.db2.gz ZMFWBTYJVXQWQF-UHFFFAOYSA-N 0 0 243.354 2.831 50 0 BFAARN CCCc1nccn1-c1cccc([C@@H](C)O)c1 ZINC000065408740 385306235 /nfs/dbraw/zinc/30/62/35/385306235.db2.gz PZRTYRIZVARIIN-LLVKDONJSA-N 0 0 230.311 2.878 50 0 BFAARN Cc1nnc([C@H](C)Oc2cc(C)ccc2C)[nH]1 ZINC000065407814 385306409 /nfs/dbraw/zinc/30/64/09/385306409.db2.gz LSUQJOSAUUTQHN-JTQLQIEISA-N 0 0 231.299 2.870 50 0 BFAARN Cc1nc(-c2c(-c3ccccc3)ncn2C)c[nH]1 ZINC000065502623 385316606 /nfs/dbraw/zinc/31/66/06/385316606.db2.gz BZMJTBJKSOUPGE-UHFFFAOYSA-N 0 0 238.294 2.786 50 0 BFAARN Cc1cc(C)c2nc(C(F)(F)F)[nH]c(=O)c2c1 ZINC000000236438 385279358 /nfs/dbraw/zinc/27/93/58/385279358.db2.gz VLXHUCFLOKPYEK-UHFFFAOYSA-N 0 0 242.200 2.971 50 0 BFAARN CC(=O)N[C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000000183187 385279447 /nfs/dbraw/zinc/27/94/47/385279447.db2.gz LZCVYJZYDMKSKP-CQSZACIVSA-N 0 0 242.322 2.990 50 0 BFAARN COC(=O)c1ccc(Cl)cc1Br ZINC000034469285 385282624 /nfs/dbraw/zinc/28/26/24/385282624.db2.gz BIFARHLBYAKSSN-UHFFFAOYSA-N 0 0 249.491 2.889 50 0 BFAARN O=Cc1cc(-c2ccccc2Cl)no1 ZINC000034455501 385283285 /nfs/dbraw/zinc/28/32/85/385283285.db2.gz CJJVDXAJEFUZRU-UHFFFAOYSA-N 0 0 207.616 2.808 50 0 BFAARN c1csc(Cc2nc(-c3cccnc3)no2)c1 ZINC000004845153 385285672 /nfs/dbraw/zinc/28/56/72/385285672.db2.gz UORCGXVSWOLZBK-UHFFFAOYSA-N 0 0 243.291 2.784 50 0 BFAARN C[C@H]1c2cccn2CCN1C(=O)NC1CCCC1 ZINC000015783052 385342241 /nfs/dbraw/zinc/34/22/41/385342241.db2.gz FPFOYBOHNPMTLN-NSHDSACASA-N 0 0 247.342 2.517 50 0 BFAARN Nc1cc(C(F)(F)F)c(C(F)(F)F)cn1 ZINC000091252200 385325638 /nfs/dbraw/zinc/32/56/38/385325638.db2.gz COFJMXYESGMWGW-UHFFFAOYSA-N 0 0 230.111 2.701 50 0 BFAARN C[C@@H]1C[C@]1(Cl)[S@@](=O)c1ccccc1 ZINC000169724572 385416941 /nfs/dbraw/zinc/41/69/41/385416941.db2.gz BASQNYBLNPBUEJ-DVYJOKAKSA-N 0 0 214.717 2.769 50 0 BFAARN CCCn1c2ccc(OC)cc2sc1=N ZINC000196367923 385506913 /nfs/dbraw/zinc/50/69/13/385506913.db2.gz NNLFEEGXHSGUFW-UHFFFAOYSA-N 0 0 222.313 2.601 50 0 BFAARN CCOP1OCCN1c1ccccc1 ZINC000005718392 385509967 /nfs/dbraw/zinc/50/99/67/385509967.db2.gz LQCOPGVXRYXGKL-UHFFFAOYSA-N 0 0 211.201 2.787 50 0 BFAARN Cc1ccc(C(=O)NCc2ccccc2)cc1N ZINC000019389569 385513963 /nfs/dbraw/zinc/51/39/63/385513963.db2.gz DFPQSXUFHNSJHD-UHFFFAOYSA-N 0 0 240.306 2.507 50 0 BFAARN Cc1c(CN2CC[C@@H]2c2cccs2)cnn1C ZINC000252483712 385651175 /nfs/dbraw/zinc/65/11/75/385651175.db2.gz FHHNXFDAQXTZDI-GFCCVEGCSA-N 0 0 247.367 2.737 50 0 BFAARN CN(C)c1cc(Br)cc(F)c1F ZINC000230538529 385740420 /nfs/dbraw/zinc/74/04/20/385740420.db2.gz IDRLAELBZPRRTO-UHFFFAOYSA-N 0 0 236.059 2.793 50 0 BFAARN Cc1cc(C)nc(NC[C@H](C)c2nccs2)n1 ZINC000230610319 385742426 /nfs/dbraw/zinc/74/24/26/385742426.db2.gz SLYLNCOHAFUDNV-QMMMGPOBSA-N 0 0 248.355 2.766 50 0 BFAARN CC(C)(C)c1ccnc(-n2cccn2)c1 ZINC000257373243 385766480 /nfs/dbraw/zinc/76/64/80/385766480.db2.gz SOIPESGJSYYVQD-UHFFFAOYSA-N 0 0 201.273 2.565 50 0 BFAARN CCOc1ccc(C(F)(F)F)c(F)c1O ZINC000261493509 385815226 /nfs/dbraw/zinc/81/52/26/385815226.db2.gz CMOBUFMSXYILBD-UHFFFAOYSA-N 0 0 224.153 2.949 50 0 BFAARN CC(C)c1ocnc1C(=O)N(C)Cc1ccoc1 ZINC000215984411 385856002 /nfs/dbraw/zinc/85/60/02/385856002.db2.gz ZHYHTMHOZXFZAN-UHFFFAOYSA-N 0 0 248.282 2.663 50 0 BFAARN CC(=O)Nc1cccc(NC(C)C)c1N=O ZINC000003879190 385896325 /nfs/dbraw/zinc/89/63/25/385896325.db2.gz HQHAOEUCANVHNL-UHFFFAOYSA-N 0 0 221.260 2.863 50 0 BFAARN O=C(CC1CCCCCC1)N1CCCC1 ZINC000095408411 385861159 /nfs/dbraw/zinc/86/11/59/385861159.db2.gz YEVBECINXFXXFI-UHFFFAOYSA-N 0 0 209.333 2.969 50 0 BFAARN Cc1c([C@H](C)O)sc2nc3ccccc3n12 ZINC000071773403 385877054 /nfs/dbraw/zinc/87/70/54/385877054.db2.gz VQFPHFJUVJDQAI-QMMMGPOBSA-N 0 0 232.308 2.911 50 0 BFAARN C[NH+](C)Cc1cccnc1Oc1ccccc1 ZINC000221272097 385984188 /nfs/dbraw/zinc/98/41/88/385984188.db2.gz LAXPWJPBAANTOS-UHFFFAOYSA-N 0 0 228.295 2.936 50 0 BFAARN CCCn1c2ccccc2n2c(=S)[nH]nc12 ZINC000057326658 385931281 /nfs/dbraw/zinc/93/12/81/385931281.db2.gz MYSMILIWXXJXSQ-UHFFFAOYSA-N 0 0 232.312 2.757 50 0 BFAARN CCO[C@@H](C)c1nccn1CC1CCC1 ZINC000095977990 386015919 /nfs/dbraw/zinc/01/59/19/386015919.db2.gz NYPHCSVLEROFNP-JTQLQIEISA-N 0 0 208.305 2.781 50 0 BFAARN CSCC(=O)Nc1cc(C)cc(C)c1 ZINC000033002143 386018712 /nfs/dbraw/zinc/01/87/12/386018712.db2.gz KIHXGPATTOFKEB-UHFFFAOYSA-N 0 0 209.314 2.605 50 0 BFAARN COc1ccc(NC(=O)/C=C\c2ccco2)cc1 ZINC000033329151 386033996 /nfs/dbraw/zinc/03/39/96/386033996.db2.gz WKHUUVJYCHLEKU-HJWRWDBZSA-N 0 0 243.262 2.940 50 0 BFAARN Cc1cnc(Br)c(OC(F)F)c1 ZINC000263623150 386158044 /nfs/dbraw/zinc/15/80/44/386158044.db2.gz FDEJGYWZKUXPGX-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN Cc1ccnc(N[C@H](C)C[C@H](O)c2ccco2)c1 ZINC000225527108 386200651 /nfs/dbraw/zinc/20/06/51/386200651.db2.gz QCORGAKFCVDFRZ-NEPJUHHUSA-N 0 0 246.310 2.907 50 0 BFAARN Cc1ccc(CN(C)C(=O)C[C@H]2C=CCC2)o1 ZINC000040465369 386204706 /nfs/dbraw/zinc/20/47/06/386204706.db2.gz FMBNNFATTDZEBL-LBPRGKRZSA-N 0 0 233.311 2.903 50 0 BFAARN CCC(CC)(CC)NC(=O)Cc1cccc(N)c1 ZINC000086642076 386233392 /nfs/dbraw/zinc/23/33/92/386233392.db2.gz FFFTUBDULLXXBL-UHFFFAOYSA-N 0 0 248.370 2.896 50 0 BFAARN Cc1oncc1-c1cn2ccc(C)cc2n1 ZINC000001403521 386244696 /nfs/dbraw/zinc/24/46/96/386244696.db2.gz VFOLLJDHPQGEIX-UHFFFAOYSA-N 0 0 213.240 2.606 50 0 BFAARN Cc1ccnc(N[C@@H](C)C[C@@H](O)c2ccco2)c1 ZINC000225527141 386199852 /nfs/dbraw/zinc/19/98/52/386199852.db2.gz QCORGAKFCVDFRZ-NWDGAFQWSA-N 0 0 246.310 2.907 50 0 BFAARN Cn1c2ccccc2c2sccc(=O)c21 ZINC000059944108 386486669 /nfs/dbraw/zinc/48/66/69/386486669.db2.gz UOIDSPQWWZJAPH-UHFFFAOYSA-N 0 0 215.277 2.753 50 0 BFAARN Cc1cnn([C@H]2CCCCO2)c1Br ZINC000238494743 386491942 /nfs/dbraw/zinc/49/19/42/386491942.db2.gz CICXLSGHZGLVQY-MRVPVSSYSA-N 0 0 245.120 2.653 50 0 BFAARN CCCc1nnc(N2C[C@@H]3CCC[C@H]3C2)s1 ZINC000095418479 386519362 /nfs/dbraw/zinc/51/93/62/386519362.db2.gz IVBVSDGWEYAZEH-UWVGGRQHSA-N 0 0 237.372 2.727 50 0 BFAARN CCN(CC)C(=O)c1ccc(O)cc1Cl ZINC000238233564 386457049 /nfs/dbraw/zinc/45/70/49/386457049.db2.gz BHQWOIIZBXXDKV-UHFFFAOYSA-N 0 0 227.691 2.528 50 0 BFAARN Cc1cc(C)nc(CN(C)Cc2cscn2)c1 ZINC000244882641 386588589 /nfs/dbraw/zinc/58/85/89/386588589.db2.gz XVPWWXBOHIQPFU-UHFFFAOYSA-N 0 0 247.367 2.787 50 0 BFAARN O=C(c1ccccc1)c1ccc2ccccn2c1=O ZINC000239562635 386541646 /nfs/dbraw/zinc/54/16/46/386541646.db2.gz HUAPXYLTPPILCM-UHFFFAOYSA-N 0 0 249.269 2.531 50 0 BFAARN C[C@H](c1ccccc1)n1c2ccccc2[nH]c1=O ZINC000001424691 386633349 /nfs/dbraw/zinc/63/33/49/386633349.db2.gz BRGWBLVOBBLKET-LLVKDONJSA-N 0 0 238.290 2.939 50 0 BFAARN Cc1ccc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1O ZINC000245919023 386610636 /nfs/dbraw/zinc/61/06/36/386610636.db2.gz GEOGVAODMLRGLK-PJXYFTJBSA-N 0 0 231.295 2.685 50 0 BFAARN CCOC[C@H](C)Nc1ncnc2ccsc21 ZINC000044416404 386667035 /nfs/dbraw/zinc/66/70/35/386667035.db2.gz TVUIKAZFDARSON-QMMMGPOBSA-N 0 0 237.328 2.528 50 0 BFAARN CCN(CC)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC000012929638 386707832 /nfs/dbraw/zinc/70/78/32/386707832.db2.gz QFIGQSDQSPCCAH-UHFFFAOYSA-N 0 0 230.311 2.958 50 0 BFAARN Cc1nc(C(=O)Nc2ccccc2C)co1 ZINC000022606320 386727735 /nfs/dbraw/zinc/72/77/35/386727735.db2.gz XGLFWMVIGIUTBY-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN Cc1nc(C(=O)Nc2ccc(F)c(F)c2)co1 ZINC000022538576 386727987 /nfs/dbraw/zinc/72/79/87/386727987.db2.gz DGPMFYPVKRORCL-UHFFFAOYSA-N 0 0 238.193 2.514 50 0 BFAARN CCC[C@@]1(CC)NC(=O)N(c2cccc(C)c2)N1 ZINC000015867872 386729314 /nfs/dbraw/zinc/72/93/14/386729314.db2.gz ZXOCKHWZIJORHV-AWEZNQCLSA-N 0 0 247.342 2.936 50 0 BFAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccsc1 ZINC000049544381 386766797 /nfs/dbraw/zinc/76/67/97/386766797.db2.gz LZXVTAFQXZTTLW-MRVPVSSYSA-N 0 0 233.296 2.605 50 0 BFAARN CN(CCSc1nccn1C)c1ccccc1 ZINC000075110054 386824041 /nfs/dbraw/zinc/82/40/41/386824041.db2.gz DXWWZACPYUDZPM-UHFFFAOYSA-N 0 0 247.367 2.649 50 0 BFAARN Cc1ccc(C(=O)N[C@@H](C)c2cccnc2)cc1 ZINC000032731625 386815749 /nfs/dbraw/zinc/81/57/49/386815749.db2.gz ZXXIGCQOYSVQBE-LBPRGKRZSA-N 0 0 240.306 2.881 50 0 BFAARN Cc1nocc1CNc1cccc(F)c1 ZINC000334612719 386836361 /nfs/dbraw/zinc/83/63/61/386836361.db2.gz IKNHTYDXYDPYOF-UHFFFAOYSA-N 0 0 206.220 2.734 50 0 BFAARN CN(C)c1cc(F)cc(Br)c1 ZINC000142343931 386938778 /nfs/dbraw/zinc/93/87/78/386938778.db2.gz DQQIIUYYHRXJIJ-UHFFFAOYSA-N 0 0 218.069 2.654 50 0 BFAARN CCCc1nccn1Cc1noc(C(C)(C)C)n1 ZINC000332617975 386994936 /nfs/dbraw/zinc/99/49/36/386994936.db2.gz DJKKWBWUOXKMKC-UHFFFAOYSA-N 0 0 248.330 2.564 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)Nc1cccc2cccnc21 ZINC000012972111 387002442 /nfs/dbraw/zinc/00/24/42/387002442.db2.gz PIEGJDNAXPKJAG-ONGXEEELSA-N 0 0 226.279 2.829 50 0 BFAARN Fc1cc(NCc2ncc[nH]2)ccc1Cl ZINC000049715191 387006211 /nfs/dbraw/zinc/00/62/11/387006211.db2.gz BYUHXWDCFDQWRJ-UHFFFAOYSA-N 0 0 225.654 2.814 50 0 BFAARN Cc1nc([C@@H](C)Oc2ccccc2F)no1 ZINC000334936962 387012471 /nfs/dbraw/zinc/01/24/71/387012471.db2.gz YEVWCWRVGJETEN-SSDOTTSWSA-N 0 0 222.219 2.657 50 0 BFAARN CC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1C ZINC000012985375 387018423 /nfs/dbraw/zinc/01/84/23/387018423.db2.gz NFPQIPYLMQSXHQ-UHFFFAOYSA-N 0 0 248.326 2.938 50 0 BFAARN O=Cc1ccc(Cl)c(OCC(F)F)c1 ZINC000585662128 387108864 /nfs/dbraw/zinc/10/88/64/387108864.db2.gz HMGHCAZYIWLNRY-UHFFFAOYSA-N 0 0 220.602 2.796 50 0 BFAARN O=C(CCc1ccc2cc[nH]c2c1)NCC1CC1 ZINC000075550861 387156600 /nfs/dbraw/zinc/15/66/00/387156600.db2.gz HFBLXMZABUMTHV-UHFFFAOYSA-N 0 0 242.322 2.627 50 0 BFAARN C[C@@H]1Oc2ccccc2CN(C2CCCC2)C1=O ZINC000064542465 387210456 /nfs/dbraw/zinc/21/04/56/387210456.db2.gz AXOLQVMNOJSJJG-NSHDSACASA-N 0 0 245.322 2.739 50 0 BFAARN CCc1ccccc1NC(=O)NC(C)C ZINC000000396813 387216570 /nfs/dbraw/zinc/21/65/70/387216570.db2.gz ZTTGKWUWQVVROB-UHFFFAOYSA-N 0 0 206.289 2.779 50 0 BFAARN CCCn1ccc(NC(=O)c2ccccc2F)n1 ZINC000064555697 387221624 /nfs/dbraw/zinc/22/16/24/387221624.db2.gz XUPHSWROCIWSPU-UHFFFAOYSA-N 0 0 247.273 2.685 50 0 BFAARN Cc1cc(CN(C)C(=O)Nc2ccccc2)on1 ZINC000064555968 387221735 /nfs/dbraw/zinc/22/17/35/387221735.db2.gz FPKPMEWVANATNG-UHFFFAOYSA-N 0 0 245.282 2.647 50 0 BFAARN CCCn1ccc(NC(=O)c2cccc(C)c2)n1 ZINC000064555629 387221764 /nfs/dbraw/zinc/22/17/64/387221764.db2.gz LISSHXVUENXHMK-UHFFFAOYSA-N 0 0 243.310 2.854 50 0 BFAARN CCCCNC(=O)Sc1ccc(O)cc1 ZINC000002143622 387240796 /nfs/dbraw/zinc/24/07/96/387240796.db2.gz VPOXQUZKYSFMNI-UHFFFAOYSA-N 0 0 225.313 2.994 50 0 BFAARN COc1ccc(OC)c2cc(C=O)ccc12 ZINC000043214953 387273481 /nfs/dbraw/zinc/27/34/81/387273481.db2.gz XHQUORHNAGGFOP-UHFFFAOYSA-N 0 0 216.236 2.670 50 0 BFAARN COC(=O)C1=C(O)C2(CCCCC2)CCCC1 ZINC000043214840 387274797 /nfs/dbraw/zinc/27/47/97/387274797.db2.gz MJZRPNNBPWHNIA-NSHDSACASA-N 0 0 238.327 2.869 50 0 BFAARN O=C1NC(=O)C(=Cc2cccc(Cl)c2)S1 ZINC000001658571 387287472 /nfs/dbraw/zinc/28/74/72/387287472.db2.gz DTXPSQFSJWKKSG-VMPITWQZSA-N 0 0 239.683 2.664 50 0 BFAARN O=S1(=O)C[C@@]23CC=CC[C@@]2(C1)CCCCC3 ZINC000101036479 387298562 /nfs/dbraw/zinc/29/85/62/387298562.db2.gz CPKLIMBAKYFUMJ-CHWSQXEVSA-N 0 0 240.368 2.702 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)c2ccncc2)[C@H]1C ZINC000103140900 387370449 /nfs/dbraw/zinc/37/04/49/387370449.db2.gz SHKLDZKVVIWFGH-MDZLAQPJSA-N 0 0 232.327 2.636 50 0 BFAARN Cc1ccc(C(=O)N[C@@H](C)c2cccs2)cn1 ZINC000012981027 387381188 /nfs/dbraw/zinc/38/11/88/387381188.db2.gz ZBZAKWFDNQQVJU-JTQLQIEISA-N 0 0 246.335 2.943 50 0 BFAARN O=C1[C@H]2Cc3ccccc3[C@@H]2C1(Cl)Cl ZINC000004277427 387431413 /nfs/dbraw/zinc/43/14/13/387431413.db2.gz KAGZBEUEDMPZCQ-IUCAKERBSA-N 0 0 227.090 2.699 50 0 BFAARN C[C@H](Cc1ccoc1)NC(=O)c1ccsc1 ZINC000084837610 387454398 /nfs/dbraw/zinc/45/43/98/387454398.db2.gz FIKHIPPAYZYGRO-SECBINFHSA-N 0 0 235.308 2.702 50 0 BFAARN Cc1oncc1CNC(=O)Nc1ccccc1C ZINC000575604635 387388210 /nfs/dbraw/zinc/38/82/10/387388210.db2.gz BBBFWDMGZVYJTL-UHFFFAOYSA-N 0 0 245.282 2.613 50 0 BFAARN Cc1cc(CN2CCCC[C@H]2C(F)(F)F)on1 ZINC000575606284 387391633 /nfs/dbraw/zinc/39/16/33/387391633.db2.gz GTGHIBKVKICGGR-JTQLQIEISA-N 0 0 248.248 2.900 50 0 BFAARN CC(C)O[C@H]1C=CC(=O)[C@@H]1OCc1ccccc1 ZINC000043763263 387511086 /nfs/dbraw/zinc/51/10/86/387511086.db2.gz YBAMBZICRZSJGQ-GJZGRUSLSA-N 0 0 246.306 2.504 50 0 BFAARN c1cncc(CSCc2cccnc2)c1 ZINC000075278663 387540454 /nfs/dbraw/zinc/54/04/54/387540454.db2.gz GJALCXPTTLPACA-UHFFFAOYSA-N 0 0 216.309 2.910 50 0 BFAARN Cc1noc(C)c1CN1CCC[C@](C)(F)C1 ZINC000296188983 387541139 /nfs/dbraw/zinc/54/11/39/387541139.db2.gz YIQFAGLWRRHATL-LBPRGKRZSA-N 0 0 226.295 2.615 50 0 BFAARN CCCCC(=O)N[C@H]1CCC[C@@H]1SCC ZINC000079000985 387462774 /nfs/dbraw/zinc/46/27/74/387462774.db2.gz HZLDLDHVDWJODZ-QWRGUYRKSA-N 0 0 229.389 2.967 50 0 BFAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@@H]1C=CC(=O)O1 ZINC000004973918 387477042 /nfs/dbraw/zinc/47/70/42/387477042.db2.gz URWJVUPZIGIVFZ-BYNQJWBRSA-N 0 0 238.327 2.903 50 0 BFAARN CCc1nn(C)cc1-c1ccc(OC)cc1OC ZINC000426652847 387584142 /nfs/dbraw/zinc/58/41/42/387584142.db2.gz HFAXSWRKHVUVCR-UHFFFAOYSA-N 0 0 246.310 2.667 50 0 BFAARN CCc1cc(Cl)ccc1NC(=O)NCCF ZINC000426667633 387584251 /nfs/dbraw/zinc/58/42/51/387584251.db2.gz TWTMGXDLVHCADF-UHFFFAOYSA-N 0 0 244.697 2.993 50 0 BFAARN COc1ccc(-c2cc(C)[nH]n2)c2cccnc12 ZINC000426361290 387560394 /nfs/dbraw/zinc/56/03/94/387560394.db2.gz NHGGQDJMZABMKE-UHFFFAOYSA-N 0 0 239.278 2.942 50 0 BFAARN COc1ccc2[nH]cc(-c3cnn(C)c3)c2c1 ZINC000426387254 387561909 /nfs/dbraw/zinc/56/19/09/387561909.db2.gz JSJMEMNEBHIVMC-UHFFFAOYSA-N 0 0 227.267 2.577 50 0 BFAARN CCc1nn(C)cc1-c1cc(OC)cc(OC)c1 ZINC000426415679 387566755 /nfs/dbraw/zinc/56/67/55/387566755.db2.gz VPBYHHZZUJKTFJ-UHFFFAOYSA-N 0 0 246.310 2.667 50 0 BFAARN Cc1nc(-c2ccccc2OCC(C)C)n(C)n1 ZINC000426442779 387569459 /nfs/dbraw/zinc/56/94/59/387569459.db2.gz AFFLRCOMTKXADK-UHFFFAOYSA-N 0 0 245.326 2.825 50 0 BFAARN CSc1cccc(-c2ccc(C(N)=O)cc2)n1 ZINC000426477823 387573069 /nfs/dbraw/zinc/57/30/69/387573069.db2.gz BHGXOYXHUAIEFI-UHFFFAOYSA-N 0 0 244.319 2.569 50 0 BFAARN CCc1c(-c2ccc(OC)cc2OC)cnn1C ZINC000426518345 387578135 /nfs/dbraw/zinc/57/81/35/387578135.db2.gz PWADDYQPCRUUCU-UHFFFAOYSA-N 0 0 246.310 2.667 50 0 BFAARN CCc1ccc(CNC(=O)c2ccncc2)s1 ZINC000036397222 387795639 /nfs/dbraw/zinc/79/56/39/387795639.db2.gz HTNAOUKBNCNKRP-UHFFFAOYSA-N 0 0 246.335 2.636 50 0 BFAARN c1nc(S[C@@H]2CCCc3ccccc32)n[nH]1 ZINC000046875586 387759058 /nfs/dbraw/zinc/75/90/58/387759058.db2.gz GJYKIPDMYHRNRX-LLVKDONJSA-N 0 0 231.324 2.974 50 0 BFAARN O=C(Nc1nnc(C2CC2)s1)[C@H]1CC=CCC1 ZINC000006879167 387761179 /nfs/dbraw/zinc/76/11/79/387761179.db2.gz IQGNFIUBIBQTOY-QMMMGPOBSA-N 0 0 249.339 2.710 50 0 BFAARN Cc1cc(C)c2c(c1)C(C)(C)CC(=O)O2 ZINC000004610822 177880590 /nfs/dbraw/zinc/88/05/90/177880590.db2.gz CDANWZKJWBQCAG-UHFFFAOYSA-N 0 0 204.269 2.890 50 0 BFAARN CC[C@H]1CN(C(C)=O)c2cc(C)ccc2O1 ZINC000075403642 387845529 /nfs/dbraw/zinc/84/55/29/387845529.db2.gz JNJZGXWWDMIHFG-NSHDSACASA-N 0 0 219.284 2.519 50 0 BFAARN C[C@](O)(c1ccccc1)[C@H](O)c1ccccc1 ZINC000001720246 387850195 /nfs/dbraw/zinc/85/01/95/387850195.db2.gz KVDNJQJZESZZST-CABCVRRESA-N 0 0 228.291 2.628 50 0 BFAARN O=c1ccc(F)cn1CCSc1ccccc1 ZINC000190753286 387869296 /nfs/dbraw/zinc/86/92/96/387869296.db2.gz VPJYZZFPQFSKPS-UHFFFAOYSA-N 0 0 249.310 2.780 50 0 BFAARN CC(C)=CC(=O)N[C@@H](C)c1cccs1 ZINC000040459862 387889650 /nfs/dbraw/zinc/88/96/50/387889650.db2.gz MPLOQPUUHGIEMN-VIFPVBQESA-N 0 0 209.314 2.892 50 0 BFAARN CC1(C)CC2=N[C@H](c3ccccc3)N=C2C(=O)C1 ZINC000036584484 387895563 /nfs/dbraw/zinc/89/55/63/387895563.db2.gz VPTVQTIEGSAYTA-AWEZNQCLSA-N 0 0 240.306 2.970 50 0 BFAARN COC(=O)c1c(N)sc2c1[C@H](C)CCC2 ZINC000041046537 387934632 /nfs/dbraw/zinc/93/46/32/387934632.db2.gz MVOUVXSTAVRDDX-ZCFIWIBFSA-N 0 0 225.313 2.557 50 0 BFAARN CC(=O)c1c(C)[nH]c(-c2csc(N)n2)c1C ZINC000006831628 387973858 /nfs/dbraw/zinc/97/38/58/387973858.db2.gz KTMCTNAVARUCAI-UHFFFAOYSA-N 0 0 235.312 2.540 50 0 BFAARN COC(=O)c1cccc(-c2ncccc2F)c1 ZINC000065499340 388020098 /nfs/dbraw/zinc/02/00/98/388020098.db2.gz MOZFNBDKOQJOKR-UHFFFAOYSA-N 0 0 231.226 2.674 50 0 BFAARN Cc1noc(C)c1CN(C)[C@@H](C)c1ccncc1 ZINC000065504312 388037083 /nfs/dbraw/zinc/03/70/83/388037083.db2.gz FKNFOYKNEJBAEB-NSHDSACASA-N 0 0 245.326 2.879 50 0 BFAARN Nc1cccc(Cc2nc3ccccc3[nH]2)c1 ZINC000082545044 388037669 /nfs/dbraw/zinc/03/76/69/388037669.db2.gz YCICADUXPJHXGT-UHFFFAOYSA-N 0 0 223.279 2.736 50 0 BFAARN CC[C@@H](C)NC(=O)NCCCNc1ccccc1 ZINC000065529126 388084404 /nfs/dbraw/zinc/08/44/04/388084404.db2.gz PEESPVBHPIXWIL-GFCCVEGCSA-N 0 0 249.358 2.586 50 0 BFAARN Cc1nc(C)c(C(=O)N2CCCC[C@@H]2C)s1 ZINC000065564733 388084555 /nfs/dbraw/zinc/08/45/55/388084555.db2.gz FGKANSRMOQJCFI-QMMMGPOBSA-N 0 0 238.356 2.775 50 0 BFAARN CC/C=C(/C)C(=O)NCc1ccccc1COC ZINC000065586395 388098404 /nfs/dbraw/zinc/09/84/04/388098404.db2.gz JFCQCCNQTHFYEK-GHXNOFRVSA-N 0 0 247.338 2.806 50 0 BFAARN CC(C)CSCCC(=O)Nc1cccnc1 ZINC000042653642 388101187 /nfs/dbraw/zinc/10/11/87/388101187.db2.gz ATVMGBCJNMLOMO-UHFFFAOYSA-N 0 0 238.356 2.799 50 0 BFAARN CCCCc1nc(C)c(C(=O)NC(C)C)s1 ZINC000042791412 388113406 /nfs/dbraw/zinc/11/34/06/388113406.db2.gz PDGQNJYLZZKAHD-UHFFFAOYSA-N 0 0 240.372 2.932 50 0 BFAARN CCC[C@H](C(=O)N[C@@H](C)COC)c1ccccc1 ZINC000065621866 388170588 /nfs/dbraw/zinc/17/05/88/388170588.db2.gz PEXNPUNIMLLHFL-JSGCOSHPSA-N 0 0 249.354 2.721 50 0 BFAARN CCC(CC)c1nc(Cn2ccnc2C)no1 ZINC000065288322 388255598 /nfs/dbraw/zinc/25/55/98/388255598.db2.gz RDCOBSWFKIAULX-UHFFFAOYSA-N 0 0 234.303 2.526 50 0 BFAARN Cc1oc(C(C)C)nc1C(=O)NC1CCCC1 ZINC000065293440 388256175 /nfs/dbraw/zinc/25/61/75/388256175.db2.gz SKZNBDZFPHZDEZ-UHFFFAOYSA-N 0 0 236.315 2.779 50 0 BFAARN CC(C)c1nccn1-c1ccc(CCO)cc1 ZINC000065371026 388259639 /nfs/dbraw/zinc/25/96/39/388259639.db2.gz KGVMMLJQEVNFMF-UHFFFAOYSA-N 0 0 230.311 2.531 50 0 BFAARN Cc1occc1SCN1CCCCC1=O ZINC000131566038 388347398 /nfs/dbraw/zinc/34/73/98/388347398.db2.gz SCEHHWXNANSLDA-UHFFFAOYSA-N 0 0 225.313 2.650 50 0 BFAARN CC(C)(C)CC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000089642985 388356832 /nfs/dbraw/zinc/35/68/32/388356832.db2.gz LVESTZPYPQUMEJ-NSHDSACASA-N 0 0 249.358 2.552 50 0 BFAARN C/C(Cl)=C/CS(=O)(=O)Cc1ccccc1 ZINC000530112511 388405081 /nfs/dbraw/zinc/40/50/81/388405081.db2.gz JQBZMXKZGMTOCX-YFHOEESVSA-N 0 0 244.743 2.744 50 0 BFAARN CC[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000057547486 388362629 /nfs/dbraw/zinc/36/26/29/388362629.db2.gz VRZFSVSRERGWKE-PWSUYJOCSA-N 0 0 233.311 2.673 50 0 BFAARN C[C@@H](c1nc([C@H]2CCOC2)no1)c1ccccc1 ZINC000252492333 388368301 /nfs/dbraw/zinc/36/83/01/388368301.db2.gz MJDFWWJHCZLUGT-PWSUYJOCSA-N 0 0 244.294 2.725 50 0 BFAARN Cc1cccc(NC(=S)NN2CCCCC2)c1 ZINC000003359525 388374689 /nfs/dbraw/zinc/37/46/89/388374689.db2.gz DXPYMVQZYVRBDZ-UHFFFAOYSA-N 0 0 249.383 2.682 50 0 BFAARN CCO[C@@H](C)c1noc([C@@H]2CC=CCC2)n1 ZINC000089984966 388379202 /nfs/dbraw/zinc/37/92/02/388379202.db2.gz QAWWRYOGDJCVOJ-VHSXEESVSA-N 0 0 222.288 2.991 50 0 BFAARN O=C(Nc1nnc(C2CC2)s1)C1CCCC1 ZINC000003552774 388382766 /nfs/dbraw/zinc/38/27/66/388382766.db2.gz AQIUPOIHGNUNFN-UHFFFAOYSA-N 0 0 237.328 2.544 50 0 BFAARN c1csc(-c2ccnc(N3CCCC3)n2)c1 ZINC000067320845 388406258 /nfs/dbraw/zinc/40/62/58/388406258.db2.gz FVPQMPVFOHTJCD-UHFFFAOYSA-N 0 0 231.324 2.805 50 0 BFAARN Cc1nc(CSCC(=O)OC(C)C)cs1 ZINC000071843795 388446754 /nfs/dbraw/zinc/44/67/54/388446754.db2.gz MUZSHTXULSKICA-UHFFFAOYSA-N 0 0 245.369 2.636 50 0 BFAARN CCCc1nc(C)cc(-c2ccc(OC)nc2)n1 ZINC000067878215 388407422 /nfs/dbraw/zinc/40/74/22/388407422.db2.gz OIRCJGLAYVPCEU-UHFFFAOYSA-N 0 0 243.310 2.808 50 0 BFAARN CCN(CC)C(=O)c1c[nH]nc1-c1ccccc1 ZINC000069416118 388415374 /nfs/dbraw/zinc/41/53/74/388415374.db2.gz WRYYSUHJPASHNP-UHFFFAOYSA-N 0 0 243.310 2.559 50 0 BFAARN CCCCN(C)c1nccc2c1C(=O)OC2(C)C ZINC000069416399 388415496 /nfs/dbraw/zinc/41/54/96/388415496.db2.gz QXZYPGTVQRMKFE-UHFFFAOYSA-N 0 0 248.326 2.723 50 0 BFAARN CC(C)CNC(=O)CCc1ccc(F)c(F)c1 ZINC000040506022 388419228 /nfs/dbraw/zinc/41/92/28/388419228.db2.gz KVGHGELAUISTNI-UHFFFAOYSA-N 0 0 241.281 2.670 50 0 BFAARN O=C(CC[C@H]1CCCO1)Nc1ccc(F)cc1 ZINC000040505845 388419551 /nfs/dbraw/zinc/41/95/51/388419551.db2.gz PQJFOFGSCWSRKR-GFCCVEGCSA-N 0 0 237.274 2.723 50 0 BFAARN CC(C)CSCCC(=O)NC1CCCC1 ZINC000040523666 388420253 /nfs/dbraw/zinc/42/02/53/388420253.db2.gz COHVYRGMULUCQN-UHFFFAOYSA-N 0 0 229.389 2.825 50 0 BFAARN CCN(C(=O)c1ccc(C)cc1C)C1CC1 ZINC000069569348 388421023 /nfs/dbraw/zinc/42/10/23/388421023.db2.gz LSZNNKZFBFQUKT-UHFFFAOYSA-N 0 0 217.312 2.928 50 0 BFAARN CCS[C@H]1CCC[C@@H]1Nc1nc(C)ns1 ZINC000195542707 388479455 /nfs/dbraw/zinc/47/94/55/388479455.db2.gz MWHYCNYMQRYDPW-IUCAKERBSA-N 0 0 243.401 2.933 50 0 BFAARN CC(C)=CC(=O)N[C@H]1CCCOc2ccccc21 ZINC000069633213 388422919 /nfs/dbraw/zinc/42/29/19/388422919.db2.gz LEXCLUJLAUPFDA-ZDUSSCGKSA-N 0 0 245.322 2.983 50 0 BFAARN C[C@H](NC(=O)Nc1ccccc1)c1ccccn1 ZINC000009218687 388423973 /nfs/dbraw/zinc/42/39/73/388423973.db2.gz BVBLXMIDAMCQJA-NSHDSACASA-N 0 0 241.294 2.964 50 0 BFAARN Cc1ccc2c(CCNC(=O)C3CC3)c[nH]c2c1 ZINC000069770613 388426408 /nfs/dbraw/zinc/42/64/08/388426408.db2.gz PNOMTXXOWLXVNS-UHFFFAOYSA-N 0 0 242.322 2.545 50 0 BFAARN CCCc1nccn1Cc1csc(CC)n1 ZINC000070424363 388435654 /nfs/dbraw/zinc/43/56/54/388435654.db2.gz ZCRZXRXOZXSRRC-UHFFFAOYSA-N 0 0 235.356 2.903 50 0 BFAARN CC(C)CCNC(=O)N1CCn2cccc2[C@@H]1C ZINC000009528115 388437025 /nfs/dbraw/zinc/43/70/25/388437025.db2.gz USEBGKMLJQROIG-LBPRGKRZSA-N 0 0 249.358 2.620 50 0 BFAARN COC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000009552119 388438273 /nfs/dbraw/zinc/43/82/73/388438273.db2.gz NFVUZOSPLNRNFF-UHFFFAOYSA-N 0 0 203.241 2.571 50 0 BFAARN Cc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)no1 ZINC000041780966 388439331 /nfs/dbraw/zinc/43/93/31/388439331.db2.gz GCJYBHPTKXASRM-INTQDDNPSA-N 0 0 236.315 2.538 50 0 BFAARN CC(=O)Nc1cc(Cl)cc2cccnc21 ZINC000005856539 256779699 /nfs/dbraw/zinc/77/96/99/256779699.db2.gz SMBCHABNGHJANY-UHFFFAOYSA-N 0 0 220.659 2.847 50 0 BFAARN CCc1ccc(CN(C)Cc2ccncc2)o1 ZINC000195562000 388483300 /nfs/dbraw/zinc/48/33/00/388483300.db2.gz QQHNDLRGRXWWCS-UHFFFAOYSA-N 0 0 230.311 2.869 50 0 BFAARN O=c1c2sccc2ncn1[C@H]1C=CCCC1 ZINC000078715369 388509400 /nfs/dbraw/zinc/50/94/00/388509400.db2.gz JRWODDWNNGXEOW-VIFPVBQESA-N 0 0 232.308 2.739 50 0 BFAARN CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCO2)cc1 ZINC000006698186 388523573 /nfs/dbraw/zinc/52/35/73/388523573.db2.gz CRKWRKJYTWXEFR-RISCZKNCSA-N 0 0 247.338 2.605 50 0 BFAARN COc1c(C(F)(F)F)nc2c(C)cccn21 ZINC000066087807 388586137 /nfs/dbraw/zinc/58/61/37/388586137.db2.gz YXKINHMBCYHPCN-UHFFFAOYSA-N 0 0 230.189 2.670 50 0 BFAARN Cc1noc2ncnc(N[C@H]3CCCC[C@@H]3C)c12 ZINC000021531588 388593084 /nfs/dbraw/zinc/59/30/84/388593084.db2.gz RIHMUTYAOUZJTM-WPRPVWTQSA-N 0 0 246.314 2.917 50 0 BFAARN CC(=O)c1ccc(N2C[C@@H]2c2ccncc2)cc1 ZINC000004013628 388574296 /nfs/dbraw/zinc/57/42/96/388574296.db2.gz NPKWZPWCVIAXLF-LDCVWXEPSA-N 0 0 238.290 2.846 50 0 BFAARN Cc1cc(Br)ccc1N(C)C ZINC000004208836 177722748 /nfs/dbraw/zinc/72/27/48/177722748.db2.gz CWERDFVJQVKRAL-UHFFFAOYSA-N 0 0 214.106 2.824 50 0 BFAARN Fc1cccc(CNc2ncccc2F)c1 ZINC000054700550 388664121 /nfs/dbraw/zinc/66/41/21/388664121.db2.gz XFDLJEISKFDCKE-UHFFFAOYSA-N 0 0 220.222 2.972 50 0 BFAARN CC(=O)Nc1nc2c(ccc(F)c2C)s1 ZINC000089537082 388737499 /nfs/dbraw/zinc/73/74/99/388737499.db2.gz IESABDWTFSDYBF-UHFFFAOYSA-N 0 0 224.260 2.702 50 0 BFAARN C=CC(=O)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000328597256 388738626 /nfs/dbraw/zinc/73/86/26/388738626.db2.gz GGVHJGFFNLBQQE-NSHDSACASA-N 0 0 221.325 2.844 50 0 BFAARN Cc1cscc1C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000089708884 388739312 /nfs/dbraw/zinc/73/93/12/388739312.db2.gz AYPOOWFLIWYPRZ-QWRGUYRKSA-N 0 0 235.352 2.929 50 0 BFAARN O=C(C1CCCC1)N1CCC[C@@H]2CCC[C@H]21 ZINC000089818013 388740566 /nfs/dbraw/zinc/74/05/66/388740566.db2.gz CPAXREDCEZYJJO-WCQYABFASA-N 0 0 221.344 2.968 50 0 BFAARN C[C@@H](NCc1ccon1)c1ccccc1N(C)C ZINC000093946502 388748533 /nfs/dbraw/zinc/74/85/33/388748533.db2.gz APDXKJJGXKYGBB-LLVKDONJSA-N 0 0 245.326 2.591 50 0 BFAARN CC[C@@H](C)C(=O)NCCc1ccccc1C ZINC000055292679 388709632 /nfs/dbraw/zinc/70/96/32/388709632.db2.gz NZEJTUYSEXHQHD-LLVKDONJSA-N 0 0 219.328 2.700 50 0 BFAARN Cc1ccc(NC(=O)NCC2CC2)cc1 ZINC000012874299 388724137 /nfs/dbraw/zinc/72/41/37/388724137.db2.gz BHCFXSYUUNTFCG-UHFFFAOYSA-N 0 0 204.273 2.527 50 0 BFAARN CCCn1cc(CNc2ncc(C)s2)cn1 ZINC000095939350 388792304 /nfs/dbraw/zinc/79/23/04/388792304.db2.gz ZQFAPXKDWYWPRJ-UHFFFAOYSA-N 0 0 236.344 2.670 50 0 BFAARN Clc1ccc(SC[C@@H]2CCCCO2)nn1 ZINC000095948042 388794458 /nfs/dbraw/zinc/79/44/58/388794458.db2.gz ZDKHSHKGQGFYAT-QMMMGPOBSA-N 0 0 244.747 2.791 50 0 BFAARN CSCC[C@H](C)N(C)c1cc(C)nc(C)n1 ZINC000095972059 388797205 /nfs/dbraw/zinc/79/72/05/388797205.db2.gz WGHZQPLHPXWLSX-JTQLQIEISA-N 0 0 239.388 2.671 50 0 BFAARN COc1ccc(CNc2cnccc2OC)cc1 ZINC000095972281 388798243 /nfs/dbraw/zinc/79/82/43/388798243.db2.gz NPMGCUKRCOEYRQ-UHFFFAOYSA-N 0 0 244.294 2.711 50 0 BFAARN C[S@@](=O)Cc1cccc(NCC2CCC2)c1 ZINC000095990858 388801539 /nfs/dbraw/zinc/80/15/39/388801539.db2.gz VTKFJEWBRCMHRW-INIZCTEOSA-N 0 0 237.368 2.777 50 0 BFAARN CC(C)(C)c1cc(Cn2ccnc2)ccc1O ZINC000000155470 388802720 /nfs/dbraw/zinc/80/27/20/388802720.db2.gz BASAXQLKZGXFFT-UHFFFAOYSA-N 0 0 230.311 2.935 50 0 BFAARN C[C@@H]([NH3+])CCCCCCCCC(=O)[O-] ZINC000002139138 388814039 /nfs/dbraw/zinc/81/40/39/388814039.db2.gz DWHXNKJKNIHNOI-SNVBAGLBSA-N 0 0 201.310 2.539 50 0 biogenic BFAARN CCc1ccc(NCc2ncc[nH]2)cc1F ZINC000125887937 388811771 /nfs/dbraw/zinc/81/17/71/388811771.db2.gz XPEMEFIXOMXJIK-UHFFFAOYSA-N 0 0 219.263 2.723 50 0 BFAARN O=C([O-])CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000095397879 388765599 /nfs/dbraw/zinc/76/55/99/388765599.db2.gz CUQUKODVZFIOCW-CQSZACIVSA-N 0 0 247.338 2.558 50 0 BFAARN COCc1nc(C)cc(N2CCCCCCC2)n1 ZINC000095401384 388766018 /nfs/dbraw/zinc/76/60/18/388766018.db2.gz SJIWTJLPIHUGIJ-UHFFFAOYSA-N 0 0 249.358 2.702 50 0 BFAARN Cc1ccc(C(=O)N[C@H](C)c2ccncc2)s1 ZINC000027405055 388766202 /nfs/dbraw/zinc/76/62/02/388766202.db2.gz IBYRECJFVAEECL-SNVBAGLBSA-N 0 0 246.335 2.943 50 0 BFAARN CC(C)[C@H](C)SCc1cc(=O)c(O)co1 ZINC000095414716 388767625 /nfs/dbraw/zinc/76/76/25/388767625.db2.gz ODJJMJYDMJBXPS-QMMMGPOBSA-N 0 0 228.313 2.623 50 0 BFAARN Cc1nc(Cl)cc(Oc2ccc(F)nc2)n1 ZINC000095430803 388769475 /nfs/dbraw/zinc/76/94/75/388769475.db2.gz VNMKCBIVVBIQLS-UHFFFAOYSA-N 0 0 239.637 2.765 50 0 BFAARN C[C@@H](Cc1ccc(O)cc1)NC(=O)CC(C)(C)C ZINC000095427627 388770245 /nfs/dbraw/zinc/77/02/45/388770245.db2.gz UBIGPAYCQXHSJB-NSHDSACASA-N 0 0 249.354 2.876 50 0 BFAARN COC(=O)c1nc(Nc2ccccc2)sc1C ZINC000095471970 388774694 /nfs/dbraw/zinc/77/46/94/388774694.db2.gz FCDAMKDGXRRXMU-UHFFFAOYSA-N 0 0 248.307 2.982 50 0 BFAARN Cc1ccn(CCC(=O)Nc2ccccc2C)n1 ZINC000020989461 388789382 /nfs/dbraw/zinc/78/93/82/388789382.db2.gz RLJGUSKUAMNEIL-UHFFFAOYSA-N 0 0 243.310 2.529 50 0 BFAARN C/C=C/C=C\C(=O)NCc1ccc(C)cc1 ZINC000096305091 388814547 /nfs/dbraw/zinc/81/45/47/388814547.db2.gz LSVGHGRLIMUQKT-ICWBMWKASA-N 0 0 215.296 2.744 50 0 BFAARN c1[nH]nnc1SCCCC1CCCC1 ZINC000097014266 388829483 /nfs/dbraw/zinc/82/94/83/388829483.db2.gz GKTVHOVWCLCBPZ-UHFFFAOYSA-N 0 0 211.334 2.867 50 0 BFAARN Cn1cc(CSc2cccc(F)c2)cn1 ZINC000097013541 388830009 /nfs/dbraw/zinc/83/00/09/388830009.db2.gz OXDZOBAEFFKYMD-UHFFFAOYSA-N 0 0 222.288 2.852 50 0 BFAARN Cc1ccsc1COC(=O)c1cccnc1 ZINC000097047013 388831037 /nfs/dbraw/zinc/83/10/37/388831037.db2.gz ZTYRVBZFWYFPCU-UHFFFAOYSA-N 0 0 233.292 2.809 50 0 BFAARN C=Cn1cc(CN(C)[C@H](C)c2ccccn2)cn1 ZINC000194587161 388835404 /nfs/dbraw/zinc/83/54/04/388835404.db2.gz QLCKOTCNWLPSPC-GFCCVEGCSA-N 0 0 242.326 2.572 50 0 BFAARN Cc1ccnc(NC(=O)[C@H](C)c2ccccc2)n1 ZINC000194676722 388868664 /nfs/dbraw/zinc/86/86/64/388868664.db2.gz VDCUXWNQGMTNIO-LLVKDONJSA-N 0 0 241.294 2.527 50 0 BFAARN C[C@H](O)c1ccc(CNc2ccc(F)cn2)cc1 ZINC000225818204 388847596 /nfs/dbraw/zinc/84/75/96/388847596.db2.gz XNJAOZJQFMDXEB-JTQLQIEISA-N 0 0 246.285 2.886 50 0 BFAARN Cc1cc(-c2nc3ncccc3o2)ccc1N ZINC000000529598 177694193 /nfs/dbraw/zinc/69/41/93/177694193.db2.gz XBBSNWDUAULUOZ-UHFFFAOYSA-N 0 0 225.251 2.780 50 0 aggregator BFAARN Cc1c2cccc(Br)c2nn1C ZINC000036533464 177638089 /nfs/dbraw/zinc/63/80/89/177638089.db2.gz BEMHWUFIOBSKJT-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Cc1cncc(N2CCC[C@H](C(F)(F)F)C2)n1 ZINC000336519422 132248264 /nfs/dbraw/zinc/24/82/64/132248264.db2.gz ALOIGJNZDQMIIC-VIFPVBQESA-N 0 0 245.248 2.564 50 0 BFAARN Cc1cncc(N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000336519421 132248391 /nfs/dbraw/zinc/24/83/91/132248391.db2.gz ALOIGJNZDQMIIC-SECBINFHSA-N 0 0 245.248 2.564 50 0 BFAARN CSCC(=O)N1CCCc2cccc(C)c21 ZINC000032859893 132295174 /nfs/dbraw/zinc/29/51/74/132295174.db2.gz QBLVWGHPSIGYBH-UHFFFAOYSA-N 0 0 235.352 2.637 50 0 BFAARN CN1c2ccccc2C(=O)N[C@@H]1[C@@H]1CC=CCC1 ZINC000000094536 132312529 /nfs/dbraw/zinc/31/25/29/132312529.db2.gz KYUVQEQHOIPTET-RISCZKNCSA-N 0 0 242.322 2.549 50 0 BFAARN C[C@@H]1CCCN(c2ccc(C=O)cc2)C1 ZINC000006678391 132318437 /nfs/dbraw/zinc/31/84/37/132318437.db2.gz QUJFTCQOSCFPEH-LLVKDONJSA-N 0 0 203.285 2.735 50 0 BFAARN CCCc1nc(C)cc(N2CCC(C)CC2)n1 ZINC000006767915 132318438 /nfs/dbraw/zinc/31/84/38/132318438.db2.gz VMPKILITJAMCDT-UHFFFAOYSA-N 0 0 233.359 2.974 50 0 BFAARN CCc1cc(Cl)nc(N2CCCCC2)n1 ZINC000019090451 132324054 /nfs/dbraw/zinc/32/40/54/132324054.db2.gz DEFHAJMRIODKPC-UHFFFAOYSA-N 0 0 225.723 2.683 50 0 BFAARN C[C@H]1CCCN(c2ccc(N)cc2F)C1 ZINC000020135724 132330054 /nfs/dbraw/zinc/33/00/54/132330054.db2.gz WOKGGVUHTIXNEK-VIFPVBQESA-N 0 0 208.280 2.644 50 0 BFAARN C[C@H]1CN(c2ccc(Cl)cc2N)C[C@H](C)O1 ZINC000020284887 132331120 /nfs/dbraw/zinc/33/11/20/132331120.db2.gz VGTBDTRAZIEEKB-IUCAKERBSA-N 0 0 240.734 2.536 50 0 BFAARN Cc1cc(N2CCc3sccc3C2)nc(C)n1 ZINC000032769912 132335600 /nfs/dbraw/zinc/33/56/00/132335600.db2.gz GYXHDBLUBPAUHD-UHFFFAOYSA-N 0 0 245.351 2.718 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N1CCCc2ccccc21 ZINC000032975318 132335873 /nfs/dbraw/zinc/33/58/73/132335873.db2.gz HRKQJDIJINBUOC-PWSUYJOCSA-N 0 0 215.296 2.622 50 0 BFAARN C[C@@H]1CCCCN1c1cc(Cl)ncn1 ZINC000040422433 132347294 /nfs/dbraw/zinc/34/72/94/132347294.db2.gz OUMAMNHWQNPJHE-MRVPVSSYSA-N 0 0 211.696 2.509 50 0 BFAARN C[C@@H]1C[C@H](C)CN(c2cc(=S)[nH]cn2)C1 ZINC000045918627 132355082 /nfs/dbraw/zinc/35/50/82/132355082.db2.gz XQCQPQVSVHTAAA-DTORHVGOSA-N 0 0 223.345 2.621 50 0 BFAARN CC[C@@H]1CN(C(C)=O)c2cc(Cl)ccc2O1 ZINC000064554746 132389821 /nfs/dbraw/zinc/38/98/21/132389821.db2.gz KGLHSLBSCMNBTH-SNVBAGLBSA-N 0 0 239.702 2.864 50 0 BFAARN C[C@@H]1COc2ccccc2N1C(=O)C1CC=CC1 ZINC000072532233 132396858 /nfs/dbraw/zinc/39/68/58/132396858.db2.gz YGKFQNHEHMZRES-LLVKDONJSA-N 0 0 243.306 2.767 50 0 BFAARN C[C@@H]1CCc2ccccc2N1C(=O)[C@H]1CCCO1 ZINC000072495975 132397087 /nfs/dbraw/zinc/39/70/87/132397087.db2.gz KUCSYKALFJGRFM-BXUZGUMPSA-N 0 0 245.322 2.533 50 0 BFAARN O=C(c1ccco1)N1CCCC[C@@H]1C(F)F ZINC000334803391 133749489 /nfs/dbraw/zinc/74/94/89/133749489.db2.gz MVRXVTJNEPSVRI-MRVPVSSYSA-N 0 0 229.226 2.539 50 0 BFAARN O=C(NC[C@@H]1CC=CCC1)C1CC(F)(F)C1 ZINC000336168003 134113943 /nfs/dbraw/zinc/11/39/43/134113943.db2.gz DBDHOFGBMCUZGL-SECBINFHSA-N 0 0 229.270 2.504 50 0 BFAARN Cc1cccc(OCCc2cnn(C)c2)c1C ZINC000226149754 134359550 /nfs/dbraw/zinc/35/95/50/134359550.db2.gz ILMOPASIGXSDLS-UHFFFAOYSA-N 0 0 230.311 2.658 50 0 BFAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)o1 ZINC000048687318 134623902 /nfs/dbraw/zinc/62/39/02/134623902.db2.gz DLDCHCLKDLGHPD-GFCCVEGCSA-N 0 0 244.294 2.893 50 0 BFAARN CC(C)(C)CCC[NH+]1CCC(C(=O)[O-])CC1 ZINC000261530732 135158019 /nfs/dbraw/zinc/15/80/19/135158019.db2.gz WBVUGTGPPJXGPI-UHFFFAOYSA-N 0 0 227.348 2.609 50 0 BFAARN CCC(C)(C)CC[NH+]1CCC(C(=O)[O-])CC1 ZINC000262689613 135314224 /nfs/dbraw/zinc/31/42/24/135314224.db2.gz ZAEJQEUBQABHRZ-UHFFFAOYSA-N 0 0 227.348 2.609 50 0 BFAARN Cc1cc(C(=O)N[C@@H]2CC[C@H](F)C2)oc1C ZINC000334276013 135332548 /nfs/dbraw/zinc/33/25/48/135332548.db2.gz NENLOPRTRVFFAW-VHSXEESVSA-N 0 0 225.263 2.517 50 0 BFAARN C[C@@H]1CN(C(=O)C2CCCC2)C[C@H](C)S1 ZINC000080949748 135385073 /nfs/dbraw/zinc/38/50/73/135385073.db2.gz PWKVBMXYNYNRHT-AOOOYVTPSA-N 0 0 227.373 2.529 50 0 BFAARN Cc1coc(C)c1C(=O)N[C@@H]1CC[C@H](F)C1 ZINC000335343089 136065243 /nfs/dbraw/zinc/06/52/43/136065243.db2.gz ZGKODAJSDMIPAZ-VHSXEESVSA-N 0 0 225.263 2.517 50 0 BFAARN CC(C)c1noc(N2C[C@@H]3CC=CC[C@H]3C2)n1 ZINC000098013794 397804632 /nfs/dbraw/zinc/80/46/32/397804632.db2.gz ZVTKARIFQGIXJP-QWRGUYRKSA-N 0 0 233.315 2.595 50 0 BFAARN C[C@@]1(C(F)(F)F)NCCc2ccccc21 ZINC000170091552 397821976 /nfs/dbraw/zinc/82/19/76/397821976.db2.gz HZKBHOOJCXSPRR-SNVBAGLBSA-N 0 0 215.218 2.610 50 0 BFAARN CSc1nc(-c2ccc(Cl)cc2)cn1N ZINC000008706577 397936899 /nfs/dbraw/zinc/93/68/99/397936899.db2.gz AZFYTRCLFQHLRK-UHFFFAOYSA-N 0 0 239.731 2.639 50 0 BFAARN C[C@H](NC(=O)c1ccccc1)c1ccccn1 ZINC000028781110 397991631 /nfs/dbraw/zinc/99/16/31/397991631.db2.gz ORQVRJRSJJITNK-NSHDSACASA-N 0 0 226.279 2.573 50 0 BFAARN c1cnn(CCNc2nc3ccccc3s2)c1 ZINC000034936074 398017504 /nfs/dbraw/zinc/01/75/04/398017504.db2.gz YBKIRQAYUJOEKX-UHFFFAOYSA-N 0 0 244.323 2.605 50 0 BFAARN Nc1nnc(-c2cc(Cl)sc2Cl)o1 ZINC000034936066 398017690 /nfs/dbraw/zinc/01/76/90/398017690.db2.gz KHVAKNVBHVGVCR-UHFFFAOYSA-N 0 0 236.083 2.687 50 0 BFAARN Cc1ccc(C(=O)NCCCOC(C)C)c(C)c1 ZINC000042236314 398030417 /nfs/dbraw/zinc/03/04/17/398030417.db2.gz VCVSKPXLMQKWDN-UHFFFAOYSA-N 0 0 249.354 2.848 50 0 BFAARN Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 ZINC000022141112 397972613 /nfs/dbraw/zinc/97/26/13/397972613.db2.gz XIWNTJCEFBWVDK-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)c2ccoc2)o1 ZINC000023306467 397978460 /nfs/dbraw/zinc/97/84/60/397978460.db2.gz VXYOIACXSYCTNN-SECBINFHSA-N 0 0 219.240 2.672 50 0 BFAARN CC/C=C/C[C@@H]1C(=O)CC[C@@H]1CC(=O)OC ZINC000025721341 397984324 /nfs/dbraw/zinc/98/43/24/397984324.db2.gz GEWDNTWNSAZUDX-ZJRFNNFUSA-N 0 0 224.300 2.501 50 0 in-vitro BFAARN CSCCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000032819606 397986671 /nfs/dbraw/zinc/98/66/71/397986671.db2.gz KDTVQBRNAXGWIK-NEPJUHHUSA-N 0 0 241.400 2.921 50 0 BFAARN Cn1ccnc1CN(Cc1cccs1)C1CC1 ZINC000058171839 398070911 /nfs/dbraw/zinc/07/09/11/398070911.db2.gz GYAGOYBJPYHKHG-UHFFFAOYSA-N 0 0 247.367 2.646 50 0 BFAARN c1nc2cc(NCc3csnn3)ccc2s1 ZINC000190856210 398051109 /nfs/dbraw/zinc/05/11/09/398051109.db2.gz HOQIGXKNLSNJHB-UHFFFAOYSA-N 0 0 248.336 2.760 50 0 BFAARN Cc1ccc(CNc2cncc(F)c2)nc1 ZINC000300803048 398058062 /nfs/dbraw/zinc/05/80/62/398058062.db2.gz BBEQGKYRCKVIJQ-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN CC(C)(C)OC(=O)c1cc(F)cc(F)c1 ZINC000068812909 398097850 /nfs/dbraw/zinc/09/78/50/398097850.db2.gz NHVCNYLYDFGIJQ-UHFFFAOYSA-N 0 0 214.211 2.920 50 0 BFAARN CC(C)NC(=O)CCCc1ccccc1 ZINC000000458436 167040190 /nfs/dbraw/zinc/04/01/90/167040190.db2.gz DPNMDWHRLSMBCM-UHFFFAOYSA-N 0 0 205.301 2.534 50 0 BFAARN CC(C)NC(=O)N1CCc2sccc2[C@@H]1C ZINC000000143320 167071173 /nfs/dbraw/zinc/07/11/73/167071173.db2.gz XPOMGKHWPJNPLH-VIFPVBQESA-N 0 0 238.356 2.785 50 0 BFAARN CC(C)NC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000012382576 167081746 /nfs/dbraw/zinc/08/17/46/167081746.db2.gz PWJCUJUTOKNHBK-SECBINFHSA-N 0 0 241.718 2.632 50 0 BFAARN Cc1cc(Br)cc2c(=O)cc[nH]c12 ZINC000035731123 177722157 /nfs/dbraw/zinc/72/21/57/177722157.db2.gz OLUYDTPGXGNMEB-UHFFFAOYSA-N 0 0 238.084 2.599 50 0 BFAARN Cc1cc(Br)ncc1Cl ZINC000008700537 177724435 /nfs/dbraw/zinc/72/44/35/177724435.db2.gz MALOBEHFSQICII-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN CC(C)OCCCC(=O)N1CCCCC[C@@H]1C ZINC000170594136 167204135 /nfs/dbraw/zinc/20/41/35/167204135.db2.gz DRYVZGRUNQADNN-ZDUSSCGKSA-N 0 0 241.375 2.983 50 0 BFAARN COCCN(C)c1ccc(-c2ccsc2)cn1 ZINC000585091884 487576895 /nfs/dbraw/zinc/57/68/95/487576895.db2.gz AMIURHHJPXUAES-UHFFFAOYSA-N 0 0 248.351 2.893 50 0 BFAARN CC(C)Oc1c(F)cc(O)cc1Cl ZINC000261493936 167283682 /nfs/dbraw/zinc/28/36/82/167283682.db2.gz MEFMVCABDROQQT-UHFFFAOYSA-N 0 0 204.628 2.972 50 0 BFAARN CC(C)SCCC(=O)N1CCCCC1 ZINC000096500736 167320396 /nfs/dbraw/zinc/32/03/96/167320396.db2.gz FXGSYVWAEIPNFO-UHFFFAOYSA-N 0 0 215.362 2.531 50 0 BFAARN CC[C@H](NC(=O)COC)C(C)(C)c1ccccc1 ZINC000096422441 409985488 /nfs/dbraw/zinc/98/54/88/409985488.db2.gz JERHATMKGNXFPP-ZDUSSCGKSA-N 0 0 249.354 2.505 50 0 BFAARN COC[C@H](C)Nc1cccc(-c2nccn2C)c1 ZINC000097095661 410052755 /nfs/dbraw/zinc/05/27/55/410052755.db2.gz IBILHIOVZIOHPD-NSHDSACASA-N 0 0 245.326 2.534 50 0 BFAARN Cc1cc(C)nc(NC(=O)NCc2ccco2)c1 ZINC000097142870 410062244 /nfs/dbraw/zinc/06/22/44/410062244.db2.gz ZPFMBNVNUQRODE-UHFFFAOYSA-N 0 0 245.282 2.613 50 0 BFAARN Brc1ccc(-c2ncccn2)cc1 ZINC000016124746 166098088 /nfs/dbraw/zinc/09/80/88/166098088.db2.gz PFLPZHPQFNFTRF-UHFFFAOYSA-N 0 0 235.084 2.906 50 0 BFAARN Brc1ccc(OCC2CC2)nc1 ZINC000040456693 166098121 /nfs/dbraw/zinc/09/81/21/166098121.db2.gz FXLHFKZNQOIRGG-UHFFFAOYSA-N 0 0 228.089 2.633 50 0 BFAARN Brc1cccc(Cn2ccnc2)c1 ZINC000012370275 166100912 /nfs/dbraw/zinc/10/09/12/166100912.db2.gz BGYZLOIBJCHCTI-UHFFFAOYSA-N 0 0 237.100 2.694 50 0 in-vivo BFAARN Brc1c[nH]nc1-c1cccs1 ZINC000084506954 166104845 /nfs/dbraw/zinc/10/48/45/166104845.db2.gz RDIZNLHXPPDDAV-UHFFFAOYSA-N 0 0 229.102 2.901 50 0 BFAARN Brc1ccccc1OC1CC1 ZINC000090412986 166102681 /nfs/dbraw/zinc/10/26/81/166102681.db2.gz MLULTGPYHKKSRT-UHFFFAOYSA-N 0 0 213.074 2.990 50 0 BFAARN Brc1ccccc1-c1ncc[nH]1 ZINC000034146357 166103499 /nfs/dbraw/zinc/10/34/99/166103499.db2.gz LMTCUTLBCVWIFS-UHFFFAOYSA-N 0 0 223.073 2.839 50 0 BFAARN Brc1cnc2[nH]c(C3CC3)nc2c1 ZINC000043461073 166104960 /nfs/dbraw/zinc/10/49/60/166104960.db2.gz FMTJUZOGRRRITH-UHFFFAOYSA-N 0 0 238.088 2.598 50 0 BFAARN Brc1c[nH]nc1-c1ccccc1 ZINC000031990398 166105167 /nfs/dbraw/zinc/10/51/67/166105167.db2.gz ZJFUSLGMGSYTRY-UHFFFAOYSA-N 0 0 223.073 2.839 50 0 BFAARN Brc1cnccc1-c1ccncc1 ZINC000000331209 166106892 /nfs/dbraw/zinc/10/68/92/166106892.db2.gz KVIILCHQXOCFDR-UHFFFAOYSA-N 0 0 235.084 2.906 50 0 BFAARN CCN(CC)C(=O)N(C)Cc1ccccc1 ZINC000004838052 169751905 /nfs/dbraw/zinc/75/19/05/169751905.db2.gz LAHXZAQRLRKRBA-UHFFFAOYSA-N 0 0 220.316 2.580 50 0 BFAARN C/C(=C/C(=O)Nc1cccc(F)c1)N1CCCC1 ZINC000003050242 166231602 /nfs/dbraw/zinc/23/16/02/166231602.db2.gz IUBLTNXCXMYGQK-LUAWRHEFSA-N 0 0 248.301 2.764 50 0 BFAARN CC(=O)c1cc(C)ccc1Br ZINC000001598663 166443124 /nfs/dbraw/zinc/44/31/24/166443124.db2.gz GNWZVFXHHVJNIP-UHFFFAOYSA-N 0 0 213.074 2.960 50 0 BFAARN CC(=O)c1ccc2c3c(ccc(O)c31)CC2 ZINC000000197897 166470810 /nfs/dbraw/zinc/47/08/10/166470810.db2.gz WKQXQXDJRLCOTQ-UHFFFAOYSA-N 0 0 212.248 2.847 50 0 BFAARN CC(=O)c1ccncc1NC(=O)OC(C)(C)C ZINC000079058186 166485340 /nfs/dbraw/zinc/48/53/40/166485340.db2.gz GFXIZWAPDSDUNQ-UHFFFAOYSA-N 0 0 236.271 2.631 50 0 BFAARN CC(C)(C)C(=O)CSc1nc2cccnc2[nH]1 ZINC000005455805 166522202 /nfs/dbraw/zinc/52/22/02/166522202.db2.gz ZTGLXYNVYIWDCI-UHFFFAOYSA-N 0 0 249.339 2.665 50 0 BFAARN CC(C)(C)CC(C)(C)NC(=S)NC1CC1 ZINC000013821345 166553036 /nfs/dbraw/zinc/55/30/36/166553036.db2.gz DYCAVNIHFMRTMJ-UHFFFAOYSA-N 0 0 228.405 2.828 50 0 BFAARN CC(C)(C)NC(=O)CCOc1ccc(F)cc1 ZINC000040069962 166612843 /nfs/dbraw/zinc/61/28/43/166612843.db2.gz VNPZJAOMTCZGSK-UHFFFAOYSA-N 0 0 239.290 2.509 50 0 BFAARN CC(C)(C)NC(=O)c1cc(-c2ccccc2)no1 ZINC000041749278 166625234 /nfs/dbraw/zinc/62/52/34/166625234.db2.gz GGDNYYSHGABUTE-UHFFFAOYSA-N 0 0 244.294 2.870 50 0 BFAARN CC(C)(C)OC(=O)N(CCO)C1CCCCC1 ZINC000042510443 166643724 /nfs/dbraw/zinc/64/37/24/166643724.db2.gz MCBLSVBAGWEOLW-UHFFFAOYSA-N 0 0 243.347 2.549 50 0 BFAARN CC(C)(C)OC(=O)NC[C@@H]1CNc2ccccc21 ZINC000020281964 166662893 /nfs/dbraw/zinc/66/28/93/166662893.db2.gz ZYDGETNTBBDROM-JTQLQIEISA-N 0 0 248.326 2.720 50 0 BFAARN CC(C)C(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000041421366 166711490 /nfs/dbraw/zinc/71/14/90/166711490.db2.gz NWYKBEGZNZJPER-TZMCWYRMSA-N 0 0 247.338 2.631 50 0 BFAARN CC(C)CC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000008736283 166772712 /nfs/dbraw/zinc/77/27/12/166772712.db2.gz FILKYUUTVJUZDM-UHFFFAOYSA-N 0 0 246.310 2.556 50 0 BFAARN CC(C)NC(=O)N(C1CC1)C1CCCC1 ZINC000098016174 167066250 /nfs/dbraw/zinc/06/62/50/167066250.db2.gz IRHYXBDFRACENH-UHFFFAOYSA-N 0 0 210.321 2.511 50 0 BFAARN CC(C)NC(=O)Nc1cccc(Cl)c1 ZINC000000293214 167078436 /nfs/dbraw/zinc/07/84/36/167078436.db2.gz WSEZUTKGVGMIPL-UHFFFAOYSA-N 0 0 212.680 2.870 50 0 BFAARN CC(C)NC(=O)Oc1ccc(F)cc1Cl ZINC000000401861 167079794 /nfs/dbraw/zinc/07/97/94/167079794.db2.gz NKEASYHPNKDXOT-UHFFFAOYSA-N 0 0 231.654 2.976 50 0 BFAARN CC(C)NC(=O)c1sccc1Cl ZINC000004542617 167093634 /nfs/dbraw/zinc/09/36/34/167093634.db2.gz PYSIRQYZTFITCT-UHFFFAOYSA-N 0 0 203.694 2.540 50 0 BFAARN CC(C)NP(=O)(OC(C)C)OC(C)C ZINC000002255108 167123240 /nfs/dbraw/zinc/12/32/40/167123240.db2.gz VBLLIPMGLLWKCV-UHFFFAOYSA-N 0 0 223.253 2.943 50 0 BFAARN CC(C)OC1CC(Nc2cccc(CO)c2)C1 ZINC000191945176 167178734 /nfs/dbraw/zinc/17/87/34/167178734.db2.gz QFFMNAHENZUNPS-UHFFFAOYSA-N 0 0 235.327 2.547 50 0 BFAARN CC(C)OCCCNC(=O)CCc1ccccc1 ZINC000042236270 167218489 /nfs/dbraw/zinc/21/84/89/167218489.db2.gz NQMNXTKHLWPOBK-UHFFFAOYSA-N 0 0 249.354 2.551 50 0 BFAARN CC(C)Oc1ccc(-c2nnco2)cc1 ZINC000012938464 167287841 /nfs/dbraw/zinc/28/78/41/167287841.db2.gz FRFXAXHPBNJTGM-UHFFFAOYSA-N 0 0 204.229 2.524 50 0 BFAARN CC(C)Oc1ccc(-c2cnc(N)nc2)cc1 ZINC000032533052 167288461 /nfs/dbraw/zinc/28/84/61/167288461.db2.gz QXBPTLXKQOMSPC-UHFFFAOYSA-N 0 0 229.283 2.513 50 0 BFAARN CC(C)Oc1ccc(Br)cc1N ZINC000019845826 167290605 /nfs/dbraw/zinc/29/06/05/167290605.db2.gz ZLBJGAIDWQCWTD-UHFFFAOYSA-N 0 0 230.105 2.819 50 0 BFAARN CC(C)Oc1ccc(Br)cn1 ZINC000008698220 167291112 /nfs/dbraw/zinc/29/11/12/167291112.db2.gz FSZRSTNRZUIEMA-UHFFFAOYSA-N 0 0 216.078 2.631 50 0 BFAARN CC(C)Oc1ccc(CO)c(Cl)c1 ZINC000083225531 167293975 /nfs/dbraw/zinc/29/39/75/167293975.db2.gz UYLAIVUNFDQQDA-UHFFFAOYSA-N 0 0 200.665 2.620 50 0 BFAARN CC(C)Oc1ncccc1Br ZINC000021981977 167313794 /nfs/dbraw/zinc/31/37/94/167313794.db2.gz UHQQSDAMSSVOQU-UHFFFAOYSA-N 0 0 216.078 2.631 50 0 BFAARN CC(C)Sc1nc2cc(N)ccc2[nH]1 ZINC000001057583 167339413 /nfs/dbraw/zinc/33/94/13/167339413.db2.gz GZMNAMUKRMPWRD-UHFFFAOYSA-N 0 0 207.302 2.646 50 0 BFAARN CC(C)[C@@H](C)NC(=O)c1ccc(N(C)C)cc1 ZINC000009322826 167378410 /nfs/dbraw/zinc/37/84/10/167378410.db2.gz ROESNJICJNLDMD-LLVKDONJSA-N 0 0 234.343 2.527 50 0 BFAARN CCOC(=O)/C=C\c1csc(-c2ccco2)n1 ZINC000104166656 410927097 /nfs/dbraw/zinc/92/70/97/410927097.db2.gz XHFYLPZYRMKVMB-WAYWQWQTSA-N 0 0 249.291 2.979 50 0 BFAARN CC(C)[C@@H]([NH2+]Cc1ccccc1Cl)C(=O)[O-] ZINC000019787750 167433163 /nfs/dbraw/zinc/43/31/63/167433163.db2.gz BZZDYPIEOAOHTL-LLVKDONJSA-N 0 0 241.718 2.539 50 0 BFAARN O=C(CC(F)(F)F)N1CC[C@H]2CCCC[C@H]2C1 ZINC000044601581 411138186 /nfs/dbraw/zinc/13/81/86/411138186.db2.gz IGBRBWYENLMOSF-ZJUUUORDSA-N 0 0 249.276 2.978 50 0 BFAARN CC(C)C[C@@H](C)N(C)C(=O)NCc1ccco1 ZINC000044917371 411142316 /nfs/dbraw/zinc/14/23/16/411142316.db2.gz QNDIVQWQRLFNMR-LLVKDONJSA-N 0 0 238.331 2.856 50 0 BFAARN CC(C)c1csc(CCNc2ccncn2)n1 ZINC000091636019 167653484 /nfs/dbraw/zinc/65/34/84/167653484.db2.gz DAIGZQZVXIFQIJ-UHFFFAOYSA-N 0 0 248.355 2.711 50 0 BFAARN CCCCCCNC(=O)c1ccc2c(c1)CCO2 ZINC000045143246 411144292 /nfs/dbraw/zinc/14/42/92/411144292.db2.gz LHLSPSCFAFBKCV-UHFFFAOYSA-N 0 0 247.338 2.932 50 0 BFAARN Nc1nc2cc(F)c(Cl)cc2s1 ZINC000045235881 411144580 /nfs/dbraw/zinc/14/45/80/411144580.db2.gz OKTZUXGSXXPGMT-UHFFFAOYSA-N 0 0 202.641 2.671 50 0 BFAARN Cc1cc(C)c2c(=O)n(-c3ccccc3)nc-2o1 ZINC000106202182 411160692 /nfs/dbraw/zinc/16/06/92/411160692.db2.gz QFWBWGCYSQXCBU-UHFFFAOYSA-N 0 0 240.262 2.547 50 0 BFAARN O=C1Nc2cc3c(cc2C1=O)oc1ccccc13 ZINC000004042545 411188407 /nfs/dbraw/zinc/18/84/07/411188407.db2.gz XHPRBKKNNNIORX-UHFFFAOYSA-N 0 0 237.214 2.721 50 0 biogenic BFAARN CCO[C@@H](CC)C(=O)Nc1cccc(C(C)=O)c1 ZINC000048331983 411189544 /nfs/dbraw/zinc/18/95/44/411189544.db2.gz RNLBCJBVNLNCQK-ZDUSSCGKSA-N 0 0 249.310 2.643 50 0 BFAARN O=c1[nH]c(-c2ccsc2)nc2ccc(F)cc12 ZINC000048623165 411207052 /nfs/dbraw/zinc/20/70/52/411207052.db2.gz JBICLZWEAGKLJT-UHFFFAOYSA-N 0 0 246.266 2.791 50 0 BFAARN CC(C)CC(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000048750470 411213849 /nfs/dbraw/zinc/21/38/49/411213849.db2.gz OFRCVDOWQMCXNT-UHFFFAOYSA-N 0 0 223.320 2.692 50 0 BFAARN CC(C)c1cc(NC(=O)c2cccs2)n[nH]1 ZINC000049044456 411223273 /nfs/dbraw/zinc/22/32/73/411223273.db2.gz IKYJCPVSQBIKPW-UHFFFAOYSA-N 0 0 235.312 2.847 50 0 BFAARN O=C(CC(C1CC1)C1CC1)Nc1ncccc1O ZINC000049168333 411225190 /nfs/dbraw/zinc/22/51/90/411225190.db2.gz MNHFGSNMENKJLG-UHFFFAOYSA-N 0 0 246.310 2.552 50 0 BFAARN CC/C=C/C[C@H]1C(=O)CC[C@@H]1CC(=O)OC ZINC000001850002 167857157 /nfs/dbraw/zinc/85/71/57/167857157.db2.gz GEWDNTWNSAZUDX-XKFHPXPTSA-N 0 0 224.300 2.501 50 0 in-vitro BFAARN CC1(C)CN(CCc2c[nH]c3ccccc23)C1=O ZINC000005523127 167957234 /nfs/dbraw/zinc/95/72/34/167957234.db2.gz JFGJOURRKRRRIX-UHFFFAOYSA-N 0 0 242.322 2.579 50 0 BFAARN CC1(C)[C@H](O)CC[C@]2(C)[C@@H](O)CCC[C@]12C ZINC000004825988 168007902 /nfs/dbraw/zinc/00/79/02/168007902.db2.gz RRFARTUDYDSMBW-ZMJPVWNMSA-N 0 0 226.360 2.725 50 0 BFAARN CC1(NC(=O)c2ccc(Cl)o2)CCC1 ZINC000089919240 168060890 /nfs/dbraw/zinc/06/08/90/168060890.db2.gz OIZJJYUFRBLBDH-UHFFFAOYSA-N 0 0 213.664 2.605 50 0 BFAARN CC1=C(c2ccco2)CN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000253392176 168087617 /nfs/dbraw/zinc/08/76/17/168087617.db2.gz QBOJTNKCMHCVNI-NEPJUHHUSA-N 0 0 245.322 2.941 50 0 BFAARN C[C@H]1C[C@H]1C(=O)NCC1CCC(C)CC1 ZINC000055488718 168155608 /nfs/dbraw/zinc/15/56/08/168155608.db2.gz SBONKHRQYTZJEG-POSLAHMBSA-N 0 0 209.333 2.585 50 0 BFAARN CC1CCC(NC(=O)CC[C@H]2CCCO2)CC1 ZINC000036397012 168161923 /nfs/dbraw/zinc/16/19/23/168161923.db2.gz JZFRBHGURGZSCB-WXRRBKDZSA-N 0 0 239.359 2.641 50 0 BFAARN CC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000000493245 168170528 /nfs/dbraw/zinc/17/05/28/168170528.db2.gz SASBACWFBCBINC-UHFFFAOYSA-N 0 0 231.339 2.878 50 0 BFAARN CC1CCN(C(=O)c2ccnc(Cl)c2)CC1 ZINC000019813369 168175595 /nfs/dbraw/zinc/17/55/95/168175595.db2.gz YCSVMTYAUWCHCM-UHFFFAOYSA-N 0 0 238.718 2.607 50 0 BFAARN CC1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000033028273 168176543 /nfs/dbraw/zinc/17/65/43/168176543.db2.gz RFRFAGXMNVCVFI-UHFFFAOYSA-N 0 0 246.354 2.625 50 0 BFAARN CC1CC[NH+]([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000000811642 168185920 /nfs/dbraw/zinc/18/59/20/168185920.db2.gz VNTKWWYECZGMLP-ZDUSSCGKSA-N 0 0 233.311 2.544 50 0 BFAARN C[C@H](c1nc(C2CC2)no1)N1CCC(C)CC1 ZINC000051210231 168186949 /nfs/dbraw/zinc/18/69/49/168186949.db2.gz KKRJNSSCRIDACJ-SNVBAGLBSA-N 0 0 235.331 2.740 50 0 BFAARN CCC(=O)COc1ccc(C(C)=O)cc1Cl ZINC000119538946 168208401 /nfs/dbraw/zinc/20/84/01/168208401.db2.gz VNHGJRXRXGXFIU-UHFFFAOYSA-N 0 0 240.686 2.901 50 0 BFAARN CCC(=O)N(C)c1ccc(F)c(Cl)c1 ZINC000095989017 168212841 /nfs/dbraw/zinc/21/28/41/168212841.db2.gz WVBOYZHHBYWCIU-UHFFFAOYSA-N 0 0 215.655 2.852 50 0 BFAARN CCC(=O)N1CCCCc2sccc21 ZINC000225496092 168216984 /nfs/dbraw/zinc/21/69/84/168216984.db2.gz WPQRGKBGECWIEQ-UHFFFAOYSA-N 0 0 209.314 2.827 50 0 BFAARN CCC(=O)N1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000041380457 168221452 /nfs/dbraw/zinc/22/14/52/168221452.db2.gz ZQPHTOHYSCGCLY-CQSZACIVSA-N 0 0 247.338 2.559 50 0 BFAARN CCC(=O)N1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000041380453 168222106 /nfs/dbraw/zinc/22/21/06/168222106.db2.gz ZQPHTOHYSCGCLY-AWEZNQCLSA-N 0 0 247.338 2.559 50 0 BFAARN CCC(=O)N1CCc2sccc2[C@H]1C ZINC000032781382 168226149 /nfs/dbraw/zinc/22/61/49/168226149.db2.gz LLXRDMWLGMJRAA-MRVPVSSYSA-N 0 0 209.314 2.604 50 0 BFAARN CCC(=O)N1[C@H](Cc2ccccc2)COC1(C)C ZINC000000386635 168227390 /nfs/dbraw/zinc/22/73/90/168227390.db2.gz IRYHYHQTUGHKKG-CYBMUJFWSA-N 0 0 247.338 2.603 50 0 BFAARN CCC(=O)NC[C@H](CC)Oc1ccccc1F ZINC000096451719 168231848 /nfs/dbraw/zinc/23/18/48/168231848.db2.gz GBHYDXIXSYFVML-JTQLQIEISA-N 0 0 239.290 2.509 50 0 BFAARN CCC(=O)N[C@@H](C)c1cc(C)sc1C ZINC000036393855 168235795 /nfs/dbraw/zinc/23/57/95/168235795.db2.gz URSBLEDXQSWQFR-QMMMGPOBSA-N 0 0 211.330 2.952 50 0 BFAARN CCC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000006698374 168239594 /nfs/dbraw/zinc/23/95/94/168239594.db2.gz JKNYTKDSHVFMON-LLVKDONJSA-N 0 0 205.301 2.891 50 0 BFAARN CCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000055274560 168240775 /nfs/dbraw/zinc/24/07/75/168240775.db2.gz FISZKMZDSPXLAU-SFYZADRCSA-N 0 0 223.238 2.634 50 0 BFAARN CCC(=O)Nc1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000012986018 168246002 /nfs/dbraw/zinc/24/60/02/168246002.db2.gz GKJVJRTYFDTSCO-SKDRFNHKSA-N 0 0 246.310 2.630 50 0 BFAARN CCC(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000000313840 168246231 /nfs/dbraw/zinc/24/62/31/168246231.db2.gz HKSYOVRNWCSMRE-UHFFFAOYSA-N 0 0 234.299 2.630 50 0 BFAARN CCC(=O)Nc1ccccc1Br ZINC000000514177 168246784 /nfs/dbraw/zinc/24/67/84/168246784.db2.gz GCLTULYRNJFGNC-UHFFFAOYSA-N 0 0 228.089 2.798 50 0 BFAARN CCC(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000003158979 168246936 /nfs/dbraw/zinc/24/69/36/168246936.db2.gz YSARSJDPQDENCK-UHFFFAOYSA-N 0 0 248.326 2.563 50 0 BFAARN CCC(=O)Nc1ccccc1CSC ZINC000095940169 168247428 /nfs/dbraw/zinc/24/74/28/168247428.db2.gz WWDRDYIFAIPTDC-UHFFFAOYSA-N 0 0 209.314 2.898 50 0 BFAARN CCC(=O)Nc1nnc(C(CC)CC)s1 ZINC000012130269 168248250 /nfs/dbraw/zinc/24/82/50/168248250.db2.gz WXLVUWNELWHCLU-UHFFFAOYSA-N 0 0 227.333 2.790 50 0 BFAARN CCC(=O)Nc1nc2ccc(C)cc2s1 ZINC000001852973 168248550 /nfs/dbraw/zinc/24/85/50/168248550.db2.gz FYVZICCAKDFHHX-UHFFFAOYSA-N 0 0 220.297 2.953 50 0 BFAARN CCC(=O)c1ccc2c(C)cc(=O)oc2c1 ZINC000064038020 168257947 /nfs/dbraw/zinc/25/79/47/168257947.db2.gz GCGMZBBHLTXDMF-UHFFFAOYSA-N 0 0 216.236 2.694 50 0 BFAARN CCC(=O)c1ccccc1NC(=O)C1CC1 ZINC000067340219 168259114 /nfs/dbraw/zinc/25/91/14/168259114.db2.gz JMLDEDSWERLGHY-UHFFFAOYSA-N 0 0 217.268 2.628 50 0 BFAARN CCC(C)(C)C(=O)NCc1ccccc1OC ZINC000004700158 168265725 /nfs/dbraw/zinc/26/57/25/168265725.db2.gz WMRKCUHVVQDORC-UHFFFAOYSA-N 0 0 235.327 2.748 50 0 BFAARN CCC(C)(C)C(=O)NCc1ccc(OC)cc1 ZINC000004690680 168267035 /nfs/dbraw/zinc/26/70/35/168267035.db2.gz TWZMOPPVEKJGIZ-UHFFFAOYSA-N 0 0 235.327 2.748 50 0 BFAARN CCC(C)(C)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000000030837 168269320 /nfs/dbraw/zinc/26/93/20/168269320.db2.gz POUNGFJGLUMLBN-UHFFFAOYSA-N 0 0 249.310 2.848 50 0 BFAARN CCC(C)(C)NC(=O)COc1cccc(F)c1 ZINC000032666273 168291535 /nfs/dbraw/zinc/29/15/35/168291535.db2.gz DFYDCRIXCDYJPO-UHFFFAOYSA-N 0 0 239.290 2.509 50 0 BFAARN CCC(C)(CC)NC(=O)Nc1ccncc1 ZINC000075138262 168308818 /nfs/dbraw/zinc/30/88/18/168308818.db2.gz DCCUFQOZLUHUAI-UHFFFAOYSA-N 0 0 221.304 2.782 50 0 BFAARN CCN1c2ccccc2/C(=C2\CCCCN2)C1=O ZINC000006520117 169945775 /nfs/dbraw/zinc/94/57/75/169945775.db2.gz RQXPVBSEKVFCEX-OWBHPGMISA-N 0 0 242.322 2.538 50 0 biogenic BFAARN CCN1CCO[C@H](c2ccccc2Cl)C1 ZINC000065612941 170006938 /nfs/dbraw/zinc/00/69/38/170006938.db2.gz XRQOCOOOUBGDQN-LBPRGKRZSA-N 0 0 225.719 2.733 50 0 BFAARN CCNC(=O)CCc1cccc2ccccc21 ZINC000067338861 170054192 /nfs/dbraw/zinc/05/41/92/170054192.db2.gz TYCAKCULLGPXIK-UHFFFAOYSA-N 0 0 227.307 2.909 50 0 BFAARN CCNC(=O)COc1cc(Cl)ccc1Cl ZINC000009594982 170068033 /nfs/dbraw/zinc/06/80/33/170068033.db2.gz DZUAHABDERWISO-UHFFFAOYSA-N 0 0 248.109 2.508 50 0 BFAARN CCNC(=O)N1CCC(c2ccccc2)CC1 ZINC000043626248 170072410 /nfs/dbraw/zinc/07/24/10/170072410.db2.gz VHZZMSQNFXHQLY-UHFFFAOYSA-N 0 0 232.327 2.596 50 0 BFAARN CCNC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000080612153 170075159 /nfs/dbraw/zinc/07/51/59/170075159.db2.gz IGPJCAAUSYOGIM-NSHDSACASA-N 0 0 238.718 2.816 50 0 BFAARN CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000000473805 170090138 /nfs/dbraw/zinc/09/01/38/170090138.db2.gz VYEOUMPUADYWQG-SECBINFHSA-N 0 0 241.718 2.552 50 0 BFAARN CCNC(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC000048374717 170096767 /nfs/dbraw/zinc/09/67/67/170096767.db2.gz WSHBOENTYOWABA-NSHDSACASA-N 0 0 235.327 2.713 50 0 BFAARN CCNC(=O)c1ccc(Oc2cccc(F)c2)o1 ZINC000096183968 170102968 /nfs/dbraw/zinc/10/29/68/170102968.db2.gz AESDCCRDCCLJCQ-UHFFFAOYSA-N 0 0 249.241 2.961 50 0 BFAARN CCNc1cc(OCC)ccc1OCC ZINC000005139746 170172996 /nfs/dbraw/zinc/17/29/96/170172996.db2.gz FFGGKPPVNIPGAK-UHFFFAOYSA-N 0 0 209.289 2.916 50 0 BFAARN CCNc1nc(-c2cccnc2)nc(C)c1C ZINC000050864222 170175742 /nfs/dbraw/zinc/17/57/42/170175742.db2.gz KOIGLTIAIWJHPW-UHFFFAOYSA-N 0 0 228.299 2.587 50 0 BFAARN CCOC(=O)/C(C)=C/c1ccc(OC)c(F)c1 ZINC000095348277 170182727 /nfs/dbraw/zinc/18/27/27/170182727.db2.gz JYOHRVHGCJTWSS-VQHVLOKHSA-N 0 0 238.258 2.801 50 0 BFAARN CCOC(=O)/C=C1/CCc2ccccc21 ZINC000096301088 170183199 /nfs/dbraw/zinc/18/31/99/170183199.db2.gz KRGWQDMTJGWQFM-LUAWRHEFSA-N 0 0 202.253 2.579 50 0 BFAARN CCOC(=O)C(=O)c1ccc(Cl)cc1Cl ZINC000002243435 170184974 /nfs/dbraw/zinc/18/49/74/170184974.db2.gz JENLPPADOGFHRQ-UHFFFAOYSA-N 0 0 247.077 2.739 50 0 BFAARN CCOC(=O)C(C)(C)Oc1ccc(C)cc1 ZINC000001459478 170188125 /nfs/dbraw/zinc/18/81/25/170188125.db2.gz UMLQACQSAQTJTM-UHFFFAOYSA-N 0 0 222.284 2.716 50 0 BFAARN CCOC(=O)CCCC(=O)c1sccc1C ZINC000043214427 170198490 /nfs/dbraw/zinc/19/84/90/170198490.db2.gz LVVNIYBDJUCUDK-UHFFFAOYSA-N 0 0 240.324 2.973 50 0 BFAARN CCOC(=O)CCc1ccc(Cl)cc1 ZINC000034563420 170211749 /nfs/dbraw/zinc/21/17/49/170211749.db2.gz YNEYMDBBOTWIAL-UHFFFAOYSA-N 0 0 212.676 2.836 50 0 BFAARN CCOC(=O)CNc1ccc(Cl)cc1C ZINC000000245925 170226793 /nfs/dbraw/zinc/22/67/93/170226793.db2.gz QCVLGJDOXNKHBP-UHFFFAOYSA-N 0 0 227.691 2.623 50 0 BFAARN CCOC(=O)COc1ccc(Cl)cc1C ZINC000001602245 170228771 /nfs/dbraw/zinc/22/87/71/170228771.db2.gz OUYDEKFRLSFDMU-UHFFFAOYSA-N 0 0 228.675 2.590 50 0 BFAARN CCOC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000020302747 170229023 /nfs/dbraw/zinc/22/90/23/170229023.db2.gz JOWZWSDDZGUKFO-UHFFFAOYSA-N 0 0 248.200 2.647 50 0 BFAARN CCOC(=O)C[C@H]1CCCCC1(F)F ZINC000066324283 170233988 /nfs/dbraw/zinc/23/39/88/170233988.db2.gz METPEYIWWISPRR-MRVPVSSYSA-N 0 0 206.232 2.765 50 0 BFAARN CCOC(=O)Cc1ccc(SC)cc1 ZINC000022116351 170236309 /nfs/dbraw/zinc/23/63/09/170236309.db2.gz ZLQPAONBGBXGFN-UHFFFAOYSA-N 0 0 210.298 2.514 50 0 BFAARN CCOC(=O)NCCc1cccc(Cl)c1 ZINC000000475960 170241955 /nfs/dbraw/zinc/24/19/55/170241955.db2.gz XNJBASYINQWSOV-UHFFFAOYSA-N 0 0 227.691 2.629 50 0 BFAARN CCOC(=O)Nc1ccccc1OCC ZINC000000400456 170244139 /nfs/dbraw/zinc/24/41/39/170244139.db2.gz HPMBJEHEKMHVHF-UHFFFAOYSA-N 0 0 209.245 2.654 50 0 BFAARN CCOC(=O)[C@@H](C)Sc1ccc(F)cc1 ZINC000043638298 170248190 /nfs/dbraw/zinc/24/81/90/170248190.db2.gz FNBPXICHXFBRPT-MRVPVSSYSA-N 0 0 228.288 2.869 50 0 BFAARN CCOC(=O)[C@H](C(=O)Cc1ccccc1)C(C)C ZINC000002580724 170263901 /nfs/dbraw/zinc/26/39/01/170263901.db2.gz GLMIDTBEENEUNW-AWEZNQCLSA-N 0 0 248.322 2.634 50 0 BFAARN CCOC(=O)[C@H](CC)Oc1ccc(F)cc1 ZINC000006596281 170272775 /nfs/dbraw/zinc/27/27/75/170272775.db2.gz RUZIVYOPFLJDGQ-NSHDSACASA-N 0 0 226.247 2.546 50 0 BFAARN CCOC(=O)c1[nH]c2ccccc2c1C ZINC000000374968 170286337 /nfs/dbraw/zinc/28/63/37/170286337.db2.gz OZQXZSIVKVCSDF-UHFFFAOYSA-N 0 0 203.241 2.653 50 0 BFAARN CCOC(=O)c1c(C)[nH]c2ccccc21 ZINC000000403323 170287404 /nfs/dbraw/zinc/28/74/04/170287404.db2.gz ICXKIKDXKRONLF-UHFFFAOYSA-N 0 0 203.241 2.653 50 0 BFAARN CCOC(=O)c1c(C)n(C)c2cc(C)c(O)cc21 ZINC000000034437 170288515 /nfs/dbraw/zinc/28/85/15/170288515.db2.gz XYYQSFYSCZYQLJ-UHFFFAOYSA-N 0 0 247.294 2.677 50 0 BFAARN CCOC(=O)c1c(F)cccc1Cl ZINC000035101580 170289055 /nfs/dbraw/zinc/28/90/55/170289055.db2.gz GRVKHBFLUGAABX-UHFFFAOYSA-N 0 0 202.612 2.656 50 0 BFAARN CCOC(=O)c1cc(C)cc(Br)c1 ZINC000059047351 170291415 /nfs/dbraw/zinc/29/14/15/170291415.db2.gz FKMQOAPQTQCQCN-UHFFFAOYSA-N 0 0 243.100 2.934 50 0 BFAARN CCOC(=O)c1cc(Cl)ccc1F ZINC000035189023 170292112 /nfs/dbraw/zinc/29/21/12/170292112.db2.gz DQIQQERKWZQXCN-UHFFFAOYSA-N 0 0 202.612 2.656 50 0 BFAARN CCOC(=O)c1cc2cccc(OC)c2o1 ZINC000000157377 170293596 /nfs/dbraw/zinc/29/35/96/170293596.db2.gz SXCMZYVXJUJIDJ-UHFFFAOYSA-N 0 0 220.224 2.618 50 0 BFAARN CCOC(=O)c1ccc(-c2ccc(C)nc2)o1 ZINC000045028412 170294693 /nfs/dbraw/zinc/29/46/93/170294693.db2.gz XYNMXXSWKMMRTA-UHFFFAOYSA-N 0 0 231.251 2.827 50 0 BFAARN CCOC(=O)c1ccc(Br)cc1C ZINC000036830581 170294697 /nfs/dbraw/zinc/29/46/97/170294697.db2.gz UWDMTHJPTMJZNG-UHFFFAOYSA-N 0 0 243.100 2.934 50 0 BFAARN CCOC(=O)c1ccc(F)cc1Br ZINC000035189012 170295984 /nfs/dbraw/zinc/29/59/84/170295984.db2.gz FYSROUWCKUYSAP-UHFFFAOYSA-N 0 0 247.063 2.765 50 0 BFAARN CCOC(=O)c1ccc(N[C@H](C)CC)c(N)c1 ZINC000041079795 170297179 /nfs/dbraw/zinc/29/71/79/170297179.db2.gz XHOJTCQZBRUQRO-SECBINFHSA-N 0 0 236.315 2.656 50 0 BFAARN CCOC(=O)c1ccc([C@@H]2CCCC(=O)C2)o1 ZINC000043210286 170297942 /nfs/dbraw/zinc/29/79/42/170297942.db2.gz JKTUNBZVCTWKOL-SECBINFHSA-N 0 0 236.267 2.683 50 0 BFAARN CCOC(=O)c1cccc(-n2cccc2)c1 ZINC000006870175 170298283 /nfs/dbraw/zinc/29/82/83/170298283.db2.gz BOAJVZUYGSTURO-UHFFFAOYSA-N 0 0 215.252 2.654 50 0 BFAARN CCOC(=O)c1cccc(NC(=O)CC(C)C)c1 ZINC000000363678 170298777 /nfs/dbraw/zinc/29/87/77/170298777.db2.gz SLYFKHIJKAYNOP-UHFFFAOYSA-N 0 0 249.310 2.848 50 0 BFAARN CCOC(=O)c1cccc(NC(=O)[C@H](C)CC)c1 ZINC000000365436 170298870 /nfs/dbraw/zinc/29/88/70/170298870.db2.gz AOGJJAOLPJRMKT-SNVBAGLBSA-N 0 0 249.310 2.848 50 0 BFAARN CCOC(=O)c1ccccc1OC(F)(F)F ZINC000015446164 170300196 /nfs/dbraw/zinc/30/01/96/170300196.db2.gz YUQQVXLPASLXLU-UHFFFAOYSA-N 0 0 234.173 2.762 50 0 BFAARN CCOC(=O)c1ccnc(Cl)c1Cl ZINC000047202779 170301094 /nfs/dbraw/zinc/30/10/94/170301094.db2.gz YOOGHVYYXXTYTN-UHFFFAOYSA-N 0 0 220.055 2.565 50 0 BFAARN CCOC(=O)c1cnn(-c2ccc(C)cc2)c1C ZINC000002532520 170303962 /nfs/dbraw/zinc/30/39/62/170303962.db2.gz QCHQXWJIFQCZCD-UHFFFAOYSA-N 0 0 244.294 2.666 50 0 BFAARN CCOC(=O)c1nc(Cl)ccc1Cl ZINC000047202785 170307105 /nfs/dbraw/zinc/30/71/05/170307105.db2.gz YWFCLGHVIXWPPZ-UHFFFAOYSA-N 0 0 220.055 2.565 50 0 BFAARN CCOC(=O)c1ncc(-c2ccc(OC)cc2)o1 ZINC000061957834 170308300 /nfs/dbraw/zinc/30/83/00/170308300.db2.gz YTFWDPLAXJZJDR-UHFFFAOYSA-N 0 0 247.250 2.527 50 0 BFAARN CCOC(=O)c1ncoc1-c1cccs1 ZINC000000107408 170309030 /nfs/dbraw/zinc/30/90/30/170309030.db2.gz KEGPOLPAFVUAQE-UHFFFAOYSA-N 0 0 223.253 2.580 50 0 BFAARN CCOC(=O)c1oc2ccccc2c1C ZINC000000978290 170310036 /nfs/dbraw/zinc/31/00/36/170310036.db2.gz FBWZJJPGVQYUIN-UHFFFAOYSA-N 0 0 204.225 2.918 50 0 BFAARN CCOC(=O)c1sc(-c2ccncc2)nc1C ZINC000004299244 170310777 /nfs/dbraw/zinc/31/07/77/170310777.db2.gz JPZUWDDVYNEJHB-UHFFFAOYSA-N 0 0 248.307 2.690 50 0 BFAARN CCOC(OCC)c1cc(Cl)nc(C)n1 ZINC000096028579 170316584 /nfs/dbraw/zinc/31/65/84/170316584.db2.gz LPCWQBKARLMDFK-UHFFFAOYSA-N 0 0 230.695 2.510 50 0 BFAARN CCOCC(=O)N1CCc2ccccc2[C@@H]1CC ZINC000079310003 170342179 /nfs/dbraw/zinc/34/21/79/170342179.db2.gz UNTVSCUGVFSBNY-AWEZNQCLSA-N 0 0 247.338 2.559 50 0 BFAARN CCOCC(=O)Nc1cc(Cl)ccc1Cl ZINC000002069462 170347967 /nfs/dbraw/zinc/34/79/67/170347967.db2.gz NABGUQUTZDNZFS-UHFFFAOYSA-N 0 0 248.109 2.968 50 0 BFAARN CCOCCOC(=O)Nc1cccc(C)c1C ZINC000002172090 170416910 /nfs/dbraw/zinc/41/69/10/170416910.db2.gz GZIAKIQPPVGRPP-UHFFFAOYSA-N 0 0 237.299 2.888 50 0 BFAARN CCONC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000070273344 170461499 /nfs/dbraw/zinc/46/14/99/170461499.db2.gz AVSBWORHWXPDFW-UHFFFAOYSA-N 0 0 237.343 2.661 50 0 BFAARN CCONC(=O)c1cccc2ccccc21 ZINC000012782580 170469150 /nfs/dbraw/zinc/46/91/50/170469150.db2.gz HTBLQKNTGTUPQG-UHFFFAOYSA-N 0 0 215.252 2.521 50 0 BFAARN CCONC(=O)c1ccc(OC2CCCC2)cc1 ZINC000036392668 170469195 /nfs/dbraw/zinc/46/91/95/170469195.db2.gz UIPPWISLEAIUDB-UHFFFAOYSA-N 0 0 249.310 2.689 50 0 BFAARN CCO[C@@H]1C[C@@H]1C(=O)O[C@@H]1CCCC[C@@H]1CC ZINC000225385985 170488566 /nfs/dbraw/zinc/48/85/66/170488566.db2.gz AREYDKSDKJMKAZ-WUHRBBMRSA-N 0 0 240.343 2.923 50 0 BFAARN CCOc1cc(C)nc(NCc2ccccc2)n1 ZINC000000524447 170521036 /nfs/dbraw/zinc/52/10/36/170521036.db2.gz HOHGUKJHKAEVRS-UHFFFAOYSA-N 0 0 243.310 2.796 50 0 BFAARN CCOc1ccc(-c2c[nH]c(C(=O)OC)c2)cc1 ZINC000067672902 170530584 /nfs/dbraw/zinc/53/05/84/170530584.db2.gz XBZPDNULVUIYAW-UHFFFAOYSA-N 0 0 245.278 2.867 50 0 BFAARN CCOc1ccc(CCCNC(=O)CC)cc1 ZINC000071376081 170541824 /nfs/dbraw/zinc/54/18/24/170541824.db2.gz IYIHJVYMRIHFGQ-UHFFFAOYSA-N 0 0 235.327 2.544 50 0 BFAARN CCOc1cccc(NC(=O)c2ccncc2)c1 ZINC000009816905 170582105 /nfs/dbraw/zinc/58/21/05/170582105.db2.gz DZHJWSXZOCBOLN-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN CC[C@@H](C)C(=O)Nc1nnc(C(C)C)s1 ZINC000004558863 170684625 /nfs/dbraw/zinc/68/46/25/170684625.db2.gz KHMSEFDOKHSBAO-SSDOTTSWSA-N 0 0 227.333 2.646 50 0 BFAARN CC[C@@H](C)NC(=O)[C@H](C)c1ccccc1 ZINC000096319168 170746748 /nfs/dbraw/zinc/74/67/48/170746748.db2.gz FVOVRIBKKZMJNZ-GHMZBOCLSA-N 0 0 205.301 2.705 50 0 BFAARN CC[C@@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccccc1 ZINC000000226609 170957307 /nfs/dbraw/zinc/95/73/07/170957307.db2.gz BXCYIBCBVGYMFT-NWDGAFQWSA-N 0 0 246.306 2.906 50 0 BFAARN CC[C@@H]1c2ccsc2CC[N@H+]1CCOC ZINC000053421702 171162194 /nfs/dbraw/zinc/16/21/94/171162194.db2.gz LGTDEFCUQMPUJF-LLVKDONJSA-N 0 0 225.357 2.704 50 0 BFAARN CC[C@@]1(C)NC(=S)N(c2ccc(C)c(C)c2)N1 ZINC000000462740 171209867 /nfs/dbraw/zinc/20/98/67/171209867.db2.gz YPIPNSXZWPPCJX-ZDUSSCGKSA-N 0 0 249.383 2.629 50 0 BFAARN CC[C@H](C)C(=O)N(c1ccccc1)[C@H]1CCOC1 ZINC000192079487 171246995 /nfs/dbraw/zinc/24/69/95/171246995.db2.gz LUNLGNSYNGEFEE-JSGCOSHPSA-N 0 0 247.338 2.855 50 0 BFAARN CC[C@H](C)C(=O)N[C@@H](C)c1csc(C)n1 ZINC000078562710 171253120 /nfs/dbraw/zinc/25/31/20/171253120.db2.gz DZXJOMHXXHNVRA-YUMQZZPRSA-N 0 0 226.345 2.675 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(C)c(O)c1 ZINC000000365434 171254641 /nfs/dbraw/zinc/25/46/41/171254641.db2.gz OPIACSYSYCLXGO-QMMMGPOBSA-N 0 0 207.273 2.685 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000000373109 171255616 /nfs/dbraw/zinc/25/56/16/171255616.db2.gz IXWNTEKSRFATRX-VIFPVBQESA-N 0 0 237.299 2.688 50 0 BFAARN CC[C@H](C)C(=O)Nc1nnc(CC(C)C)s1 ZINC000000268407 171256635 /nfs/dbraw/zinc/25/66/35/171256635.db2.gz ZYMCSVDWRMDYFI-QMMMGPOBSA-N 0 0 241.360 2.721 50 0 BFAARN CC[C@H](C)N(C(=O)[C@@H]1CCCO1)[C@@H](C)CC ZINC000005984740 171301178 /nfs/dbraw/zinc/30/11/78/171301178.db2.gz NUNUDSKUPNYYGR-SRVKXCTJSA-N 0 0 227.348 2.591 50 0 BFAARN CC[C@H](C)NC(=O)CCc1ccc(F)cc1 ZINC000062063108 171323864 /nfs/dbraw/zinc/32/38/64/171323864.db2.gz GWCICTKREAZZBL-JTQLQIEISA-N 0 0 223.291 2.673 50 0 BFAARN CC[C@H](C)NC(=O)COc1cc(C)cc(C)c1 ZINC000014396997 171326152 /nfs/dbraw/zinc/32/61/52/171326152.db2.gz RYRBQMYTPDGTSS-LBPRGKRZSA-N 0 0 235.327 2.597 50 0 BFAARN CC[C@H](C)NC(=O)Nc1cccc(OC)c1 ZINC000012851150 171331715 /nfs/dbraw/zinc/33/17/15/171331715.db2.gz MOKKSFXBYYSPAJ-VIFPVBQESA-N 0 0 222.288 2.615 50 0 BFAARN CC[C@H](C)NC(=O)c1cc2sccc2n1C ZINC000004971125 171336754 /nfs/dbraw/zinc/33/67/54/171336754.db2.gz INXXOLQONCYCHT-QMMMGPOBSA-N 0 0 236.340 2.768 50 0 BFAARN CC[C@H](C)NC(=S)Nc1cccc(F)c1 ZINC000000473201 171339838 /nfs/dbraw/zinc/33/98/38/171339838.db2.gz KYUAXPGDBKAXOD-QMMMGPOBSA-N 0 0 226.320 2.911 50 0 BFAARN CC[C@H](C)Nc1cc(OC)ccc1OC ZINC000019772380 171349874 /nfs/dbraw/zinc/34/98/74/171349874.db2.gz MGAKTKYWGYHKDA-VIFPVBQESA-N 0 0 209.289 2.914 50 0 BFAARN CC[C@H](C)Sc1ccc(S(C)(=O)=O)cc1 ZINC000096413684 171356693 /nfs/dbraw/zinc/35/66/93/171356693.db2.gz SZVPKKRWPKNQHQ-VIFPVBQESA-N 0 0 244.381 2.981 50 0 BFAARN CC[C@H](NC(=O)C(C)C)c1ccccc1 ZINC000005337127 171495224 /nfs/dbraw/zinc/49/52/24/171495224.db2.gz NPPODLSBKBLBIM-LBPRGKRZSA-N 0 0 205.301 2.910 50 0 BFAARN CC[C@H](NC(=O)OC)c1ccc(C)cc1 ZINC000013320926 171504600 /nfs/dbraw/zinc/50/46/00/171504600.db2.gz HKIYSRKBCDVDAV-NSHDSACASA-N 0 0 207.273 2.802 50 0 BFAARN CC[C@H](NCC(F)(F)F)c1c(C)noc1C ZINC000097111152 171517423 /nfs/dbraw/zinc/51/74/23/171517423.db2.gz DTMJHSHVVJGFKG-QMMMGPOBSA-N 0 0 236.237 2.894 50 0 BFAARN CC[C@H]1C(=O)O[C@H](c2ccccc2)C(C)(C)C1=O ZINC000000128454 171604173 /nfs/dbraw/zinc/60/41/73/171604173.db2.gz BQISGOZGIFFRIQ-DGCLKSJQSA-N 0 0 246.306 2.906 50 0 BFAARN CC[C@H]1CCCCN1Cc1nnsc1Cl ZINC000035164771 171608370 /nfs/dbraw/zinc/60/83/70/171608370.db2.gz BVWMCFDLUIYQDU-QMMMGPOBSA-N 0 0 245.779 2.956 50 0 BFAARN CC[C@H]1CCCN(C(=O)c2scnc2C)C1 ZINC000040533998 171615193 /nfs/dbraw/zinc/61/51/93/171615193.db2.gz DRMUIABKIVEVQX-JTQLQIEISA-N 0 0 238.356 2.714 50 0 BFAARN CCc1c(C)sc2[nH]c(C3CC3)nc(=O)c12 ZINC000048860592 171742359 /nfs/dbraw/zinc/74/23/59/171742359.db2.gz AKZHDILNDSDIAO-UHFFFAOYSA-N 0 0 234.324 2.733 50 0 BFAARN CCc1cc(C(=O)Nc2ccc(F)cc2)no1 ZINC000064555127 171755986 /nfs/dbraw/zinc/75/59/86/171755986.db2.gz KTXQDOGJQVWOJY-UHFFFAOYSA-N 0 0 234.230 2.628 50 0 BFAARN CCc1cc(C(=O)Nc2cccc(C)c2)on1 ZINC000064555291 171756064 /nfs/dbraw/zinc/75/60/64/171756064.db2.gz JLISUXWDDAFAEY-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN CCc1cc2c(ncn(CC(C)C)c2=O)s1 ZINC000000148855 171775732 /nfs/dbraw/zinc/77/57/32/171775732.db2.gz WPBKKNCTLRFOAM-UHFFFAOYSA-N 0 0 236.340 2.676 50 0 BFAARN CCc1ccc(OCC(=O)NC2CCCC2)cc1 ZINC000000146555 171826599 /nfs/dbraw/zinc/82/65/99/171826599.db2.gz LDLBQIDCPSGFHT-UHFFFAOYSA-N 0 0 247.338 2.687 50 0 BFAARN CCc1cccc(NC(=O)c2cccnc2)c1 ZINC000005477420 171862437 /nfs/dbraw/zinc/86/24/37/171862437.db2.gz IYCWICNZCXTFHN-UHFFFAOYSA-N 0 0 226.279 2.896 50 0 BFAARN CCc1nc([C@@H]2CCCN2CC2CCCC2)no1 ZINC000078724149 172004444 /nfs/dbraw/zinc/00/44/44/172004444.db2.gz QTWIBTHQXIZDLW-LBPRGKRZSA-N 0 0 249.358 2.959 50 0 BFAARN CCc1nccn1CCSCC(C)C ZINC000096489747 172026251 /nfs/dbraw/zinc/02/62/51/172026251.db2.gz RGLKBEGRSOGRQN-UHFFFAOYSA-N 0 0 212.362 2.835 50 0 BFAARN CCc1nnc(NC(=O)CC2CCCC2)s1 ZINC000007348170 172058276 /nfs/dbraw/zinc/05/82/76/172058276.db2.gz GTPGUFGSOKENFV-UHFFFAOYSA-N 0 0 239.344 2.619 50 0 BFAARN CCc1nnc([C@@H](C)Sc2ccncc2)o1 ZINC000083834266 172063385 /nfs/dbraw/zinc/06/33/85/172063385.db2.gz HALTUNNXCZPQLF-MRVPVSSYSA-N 0 0 235.312 2.880 50 0 BFAARN CCc1nnc([C@H](C)Sc2ccncc2)o1 ZINC000083834269 172065121 /nfs/dbraw/zinc/06/51/21/172065121.db2.gz HALTUNNXCZPQLF-QMMMGPOBSA-N 0 0 235.312 2.880 50 0 BFAARN CCc1sc(=O)[nH]c1-c1ccccc1 ZINC000034669988 172128475 /nfs/dbraw/zinc/12/84/75/172128475.db2.gz CIPBLWZURGPAOC-UHFFFAOYSA-N 0 0 205.282 2.666 50 0 BFAARN CCn1c(=S)[nH]nc1-c1ccccc1OC ZINC000001300047 172130421 /nfs/dbraw/zinc/13/04/21/172130421.db2.gz KYWIYTQTBIVIRN-UHFFFAOYSA-N 0 0 235.312 2.636 50 0 BFAARN CCn1c2ccccc2c(C)c1-c1cc(N)n[nH]1 ZINC000032918948 172131098 /nfs/dbraw/zinc/13/10/98/172131098.db2.gz FQYWOBXEUVKQSW-UHFFFAOYSA-N 0 0 240.310 2.942 50 0 BFAARN CCn1c(=O)[nH]c2cc(Cl)c(Cl)cc21 ZINC000000008902 172132487 /nfs/dbraw/zinc/13/24/87/172132487.db2.gz LKHRMULASXZCLG-UHFFFAOYSA-N 0 0 231.082 2.656 50 0 in-vitro BFAARN CCn1c(C(=O)OC)cc2cc(F)ccc21 ZINC000032918986 172133891 /nfs/dbraw/zinc/13/38/91/172133891.db2.gz YASKEVJLWFKOLS-UHFFFAOYSA-N 0 0 221.231 2.587 50 0 BFAARN CCn1c(C)c2c(c1C)c(C)nnc2C ZINC000000529301 172134921 /nfs/dbraw/zinc/13/49/21/172134921.db2.gz DSTJBYQGEIJZEE-UHFFFAOYSA-N 0 0 203.289 2.685 50 0 BFAARN CCn1cc2c3c1cccc3CN(C(C)=O)CC2 ZINC000065148618 172198934 /nfs/dbraw/zinc/19/89/34/172198934.db2.gz SSSUCGSEVAKWNS-UHFFFAOYSA-N 0 0 242.322 2.566 50 0 BFAARN CCn1ccc(NC(=S)Nc2ccccc2)n1 ZINC000013771681 172201042 /nfs/dbraw/zinc/20/10/42/172201042.db2.gz CXYBMXRMVOMDLV-UHFFFAOYSA-N 0 0 246.339 2.712 50 0 BFAARN CCn1ccc(NC(=O)Nc2ccccc2C)n1 ZINC000027929974 172201512 /nfs/dbraw/zinc/20/15/12/172201512.db2.gz ZFIRGWRDPZNRCD-UHFFFAOYSA-N 0 0 244.298 2.855 50 0 BFAARN CCn1ccc(NC(=O)Nc2cccc(F)c2)n1 ZINC000027929875 172201573 /nfs/dbraw/zinc/20/15/73/172201573.db2.gz BJNWAVUMNBGQMU-UHFFFAOYSA-N 0 0 248.261 2.686 50 0 BFAARN CCn1cnc2cc(Br)c(F)cc21 ZINC000065337219 172231816 /nfs/dbraw/zinc/23/18/16/172231816.db2.gz RGJHYJSIEDJFRL-UHFFFAOYSA-N 0 0 243.079 2.958 50 0 BFAARN CCn1cnc2cc(Br)ccc21 ZINC000032500696 172232101 /nfs/dbraw/zinc/23/21/01/172232101.db2.gz BLOFTARVSUNVQP-UHFFFAOYSA-N 0 0 225.089 2.819 50 0 BFAARN CCn1nc(C)c(C(=O)N2CCCCCC2)c1C ZINC000027983134 172242025 /nfs/dbraw/zinc/24/20/25/172242025.db2.gz SHBFJCUCSJJRFN-UHFFFAOYSA-N 0 0 249.358 2.536 50 0 BFAARN CCn1nc(C)c(-c2ccccc2O)c1C ZINC000000344755 172242655 /nfs/dbraw/zinc/24/26/55/172242655.db2.gz CVNXQQVJBDYTSH-UHFFFAOYSA-N 0 0 216.284 2.892 50 0 BFAARN CCn1ncc2cc(Br)ccc21 ZINC000039102571 172256313 /nfs/dbraw/zinc/25/63/13/172256313.db2.gz IAKHKDBOSJPQEH-UHFFFAOYSA-N 0 0 225.089 2.819 50 0 BFAARN CN(C(=O)C1CC1)[C@@H]1CCCc2ccccc21 ZINC000045294080 172298498 /nfs/dbraw/zinc/29/84/98/172298498.db2.gz QGVJSNLNIWWYNQ-CQSZACIVSA-N 0 0 229.323 2.932 50 0 BFAARN CN(C(=O)C1CCC1)[C@H]1CCc2ccccc21 ZINC000032905287 172298570 /nfs/dbraw/zinc/29/85/70/172298570.db2.gz SOADSGSCZNRCGW-AWEZNQCLSA-N 0 0 229.323 2.932 50 0 BFAARN CN(C(=O)NC(C)(C)C)C1CCCCC1 ZINC000000401708 172317815 /nfs/dbraw/zinc/31/78/15/172317815.db2.gz SYUMFGZKAWNORD-UHFFFAOYSA-N 0 0 212.337 2.759 50 0 BFAARN CN(C(=O)Nc1nc2ccccc2s1)C1CC1 ZINC000063813114 172324101 /nfs/dbraw/zinc/32/41/01/172324101.db2.gz VKPGYRUMUZMAQW-UHFFFAOYSA-N 0 0 247.323 2.922 50 0 BFAARN CN(C(=O)OC(C)(C)C)c1ccc(CO)cc1 ZINC000079162527 172325025 /nfs/dbraw/zinc/32/50/25/172325025.db2.gz UDNLKEJCLRKWKY-UHFFFAOYSA-N 0 0 237.299 2.550 50 0 BFAARN CN(C(=O)c1ccccc1)c1cccc(N)c1 ZINC000000262154 172342504 /nfs/dbraw/zinc/34/25/04/172342504.db2.gz GOYXYYTXHGHUSP-UHFFFAOYSA-N 0 0 226.279 2.545 50 0 BFAARN CN(C(=O)c1ccccc1F)C1CCCC1 ZINC000030758425 172342766 /nfs/dbraw/zinc/34/27/66/172342766.db2.gz ADELRGZJXYCAAG-UHFFFAOYSA-N 0 0 221.275 2.840 50 0 BFAARN CN(C(=O)c1ccccc1O)c1ccccc1 ZINC000000335137 172343480 /nfs/dbraw/zinc/34/34/80/172343480.db2.gz ACVBVXMHXWWRJS-UHFFFAOYSA-N 0 0 227.263 2.669 50 0 BFAARN CN(C(=O)c1cccs1)C1CCCC1 ZINC000032497800 172344348 /nfs/dbraw/zinc/34/43/48/172344348.db2.gz VKJDBHYKEBNJPL-UHFFFAOYSA-N 0 0 209.314 2.763 50 0 BFAARN CN(C)C(=O)C12C[C@@H]3CC(C[C@@H](C3)C1)CC2 ZINC000027988276 172354340 /nfs/dbraw/zinc/35/43/40/172354340.db2.gz PRXBSYPABVQDAW-OEIYDUSMSA-N 0 0 221.344 2.681 50 0 BFAARN CN(C)C(=O)Nc1ccccc1C(F)(F)F ZINC000004794708 172381843 /nfs/dbraw/zinc/38/18/43/172381843.db2.gz MWAQUCGIDKZDEQ-UHFFFAOYSA-N 0 0 232.205 2.799 50 0 BFAARN CN(C)C(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000069417382 172383809 /nfs/dbraw/zinc/38/38/09/172383809.db2.gz HBPJDEQXMGOHPU-AWEZNQCLSA-N 0 0 247.338 2.775 50 0 BFAARN CN(C)C(=O)c1ccc(-c2cscn2)cc1 ZINC000087056341 172388869 /nfs/dbraw/zinc/38/88/69/172388869.db2.gz YRMVSFTZOWKBBX-UHFFFAOYSA-N 0 0 232.308 2.512 50 0 BFAARN CN(C)C(=O)c1cnc(Cl)c2ccccc12 ZINC000003041689 172392243 /nfs/dbraw/zinc/39/22/43/172392243.db2.gz DRPUDBSXSRQPCY-UHFFFAOYSA-N 0 0 234.686 2.590 50 0 BFAARN CN(C)C(=S)c1nc2ccccc2s1 ZINC000001139529 172393882 /nfs/dbraw/zinc/39/38/82/172393882.db2.gz MFEKLOFGAADLRP-UHFFFAOYSA-N 0 0 222.338 2.533 50 0 BFAARN CN(C)c1ccnc(SCc2ccccc2)n1 ZINC000028287740 172575290 /nfs/dbraw/zinc/57/52/90/172575290.db2.gz HIDJEZWNTLVTPZ-UHFFFAOYSA-N 0 0 245.351 2.835 50 0 BFAARN CN(CC1CCOCC1)c1cccc(Cl)n1 ZINC000042783679 172663618 /nfs/dbraw/zinc/66/36/18/172663618.db2.gz MWZZUYJMSPCETB-UHFFFAOYSA-N 0 0 240.734 2.598 50 0 BFAARN CN(Cc1ccc(F)cc1)C(=O)C(C)(C)C ZINC000012979440 172852928 /nfs/dbraw/zinc/85/29/28/172852928.db2.gz AFVGHKJUPYIMFV-UHFFFAOYSA-N 0 0 223.291 2.830 50 0 BFAARN CN(Cc1cccc(N)c1)C(=O)OC(C)(C)C ZINC000032627231 172864598 /nfs/dbraw/zinc/86/45/98/172864598.db2.gz WKSUFZUBKZRSME-UHFFFAOYSA-N 0 0 236.315 2.636 50 0 BFAARN CN(Cc1ccccc1)C(=O)c1cc(Cl)c[nH]1 ZINC000044872113 172870396 /nfs/dbraw/zinc/87/03/96/172870396.db2.gz MBXZZFFVPZHHJM-UHFFFAOYSA-N 0 0 248.713 2.940 50 0 BFAARN CN1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000005209133 173204958 /nfs/dbraw/zinc/20/49/58/173204958.db2.gz DAIVVDAWQFQQDF-XHDPSFHLSA-N 0 0 241.290 2.767 50 0 BFAARN CN1[C@@H](CCc2ccccc2)OCC1(C)C ZINC000071773338 173205490 /nfs/dbraw/zinc/20/54/90/173205490.db2.gz BXXIIAIIGOXHSG-CYBMUJFWSA-N 0 0 219.328 2.686 50 0 BFAARN CN=c1scc(-c2ccc(Cl)cc2)n1C ZINC000252676253 173210132 /nfs/dbraw/zinc/21/01/32/173210132.db2.gz WNBWWSGKEXWPLK-UHFFFAOYSA-N 0 0 238.743 2.938 50 0 BFAARN CNC(=O)CSCc1ccc(C(C)C)cc1 ZINC000057688554 173279869 /nfs/dbraw/zinc/27/98/69/173279869.db2.gz MZVIXDGCULEGDG-UHFFFAOYSA-N 0 0 237.368 2.789 50 0 BFAARN CNC(=O)Cc1csc2ccc(Cl)cc12 ZINC000000172234 173283803 /nfs/dbraw/zinc/28/38/03/173283803.db2.gz ONKILPKHIPCROF-UHFFFAOYSA-N 0 0 239.727 2.843 50 0 BFAARN CNC(=O)Cc1coc2cc(C)c(Cl)cc12 ZINC000016527399 173283914 /nfs/dbraw/zinc/28/39/14/173283914.db2.gz PKZLKNYJFPROSM-UHFFFAOYSA-N 0 0 237.686 2.683 50 0 BFAARN CNC(=O)N(c1ccccc1)C1=NCCCCC1 ZINC000000238555 173284348 /nfs/dbraw/zinc/28/43/48/173284348.db2.gz PEQFCHVYEJXSFA-UHFFFAOYSA-N 0 0 245.326 2.805 50 0 BFAARN CNC(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000047969584 173284781 /nfs/dbraw/zinc/28/47/81/173284781.db2.gz CJVZIXUSVMOZNF-BXKDBHETSA-N 0 0 248.326 2.707 50 0 BFAARN CNC(=O)Nc1c(Cl)cccc1Cl ZINC000000397262 173292637 /nfs/dbraw/zinc/29/26/37/173292637.db2.gz GZGMPIOPYIEASI-UHFFFAOYSA-N 0 0 219.071 2.745 50 0 BFAARN CNC(=O)Nc1ccc(SC)c(Cl)c1 ZINC000083881873 173293129 /nfs/dbraw/zinc/29/31/29/173293129.db2.gz VXRCKEVVBYGGKZ-UHFFFAOYSA-N 0 0 230.720 2.813 50 0 BFAARN CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000089385855 173300079 /nfs/dbraw/zinc/30/00/79/173300079.db2.gz SMZXNEOIMHKSIC-UONOGXRCSA-N 0 0 225.291 2.689 50 0 BFAARN CNC(=O)[C@H](c1cccc(Cl)c1)C(C)C ZINC000089801747 173305579 /nfs/dbraw/zinc/30/55/79/173305579.db2.gz RTFCYBHQWWAZNG-NSHDSACASA-N 0 0 225.719 2.826 50 0 BFAARN CNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000071895989 173308067 /nfs/dbraw/zinc/30/80/67/173308067.db2.gz QSSKDZHXZOHFBL-YUMQZZPRSA-N 0 0 244.121 2.843 50 0 BFAARN CNC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000001405579 173310087 /nfs/dbraw/zinc/31/00/87/173310087.db2.gz ADOUOUVBTDMDIV-UHFFFAOYSA-N 0 0 243.331 2.873 50 0 BFAARN CNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000007038943 173310100 /nfs/dbraw/zinc/31/01/00/173310100.db2.gz ACPOPTAXYAKJMG-UHFFFAOYSA-N 0 0 235.670 2.960 50 0 BFAARN CNC(=O)c1ccccc1Oc1ccccc1 ZINC000005660001 173312116 /nfs/dbraw/zinc/31/21/16/173312116.db2.gz ICXYWUGPBQZWJP-UHFFFAOYSA-N 0 0 227.263 2.839 50 0 BFAARN CNC(=O)c1sc(-c2ccccc2C)nc1C ZINC000008225680 173315087 /nfs/dbraw/zinc/31/50/87/173315087.db2.gz QURPBQSZHPBSDI-UHFFFAOYSA-N 0 0 246.335 2.787 50 0 BFAARN CNC(=O)c1sc2ccsc2c1C ZINC000040513927 173315194 /nfs/dbraw/zinc/31/51/94/173315194.db2.gz OPWMPFQTRSWWHZ-UHFFFAOYSA-N 0 0 211.311 2.631 50 0 BFAARN CNC(=S)NC[C@@H](C)c1cc(C)ccc1C ZINC000007981181 173315631 /nfs/dbraw/zinc/31/56/31/173315631.db2.gz SULVJSOUPAEIIG-LLVKDONJSA-N 0 0 236.384 2.501 50 0 BFAARN CNC(=S)Nc1cccc(Cl)c1Cl ZINC000006332892 173316934 /nfs/dbraw/zinc/31/69/34/173316934.db2.gz AYTKNAXMMPYYEQ-UHFFFAOYSA-N 0 0 235.139 2.910 50 0 BFAARN CNc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000007844494 173484876 /nfs/dbraw/zinc/48/48/76/173484876.db2.gz FBQWGHSWTBROQN-UHFFFAOYSA-N 0 0 234.280 2.581 50 0 BFAARN COC(=O)C12CCC(Br)(CC1)CC2 ZINC000085399492 173516889 /nfs/dbraw/zinc/51/68/89/173516889.db2.gz QPKJFWIGJBWLTB-UHFFFAOYSA-N 0 0 247.132 2.647 50 0 BFAARN COC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000095929512 173639967 /nfs/dbraw/zinc/63/99/67/173639967.db2.gz QLTNJBDKTUWQFP-UHFFFAOYSA-N 0 0 223.659 2.537 50 0 BFAARN COC(=O)c1ccc(NC2CCCCC2)c(N)c1 ZINC000000216575 173883834 /nfs/dbraw/zinc/88/38/34/173883834.db2.gz QZHHJKXBIHAXTB-UHFFFAOYSA-N 0 0 248.326 2.800 50 0 BFAARN COC(=O)c1cccc(-c2ccccc2C=O)c1 ZINC000002525666 173892669 /nfs/dbraw/zinc/89/26/69/173892669.db2.gz XNKYEDLHAYGZJP-UHFFFAOYSA-N 0 0 240.258 2.953 50 0 BFAARN COC(=O)c1sc2ccccc2c1C ZINC000001701111 173922852 /nfs/dbraw/zinc/92/28/52/173922852.db2.gz FDBXIMKCWBPTDG-UHFFFAOYSA-N 0 0 206.266 2.996 50 0 BFAARN COC(OC)c1nc2[nH]ccc2cc1Cl ZINC000066054444 173965613 /nfs/dbraw/zinc/96/56/13/173965613.db2.gz DQPMVEWAIWMTMO-UHFFFAOYSA-N 0 0 226.663 2.508 50 0 BFAARN COCC(=O)N1CCC[C@H]1c1cccc(C)c1C ZINC000098013238 174043575 /nfs/dbraw/zinc/04/35/75/174043575.db2.gz YYWZISZQUCCMCF-AWEZNQCLSA-N 0 0 247.338 2.613 50 0 BFAARN COCC(=O)Nc1ccccc1C(C)(C)C ZINC000070249558 174061543 /nfs/dbraw/zinc/06/15/43/174061543.db2.gz KIAYPKLRWJDEHA-UHFFFAOYSA-N 0 0 221.300 2.569 50 0 BFAARN COCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000036179879 174062723 /nfs/dbraw/zinc/06/27/23/174062723.db2.gz FABCHFMJRKWQAG-UHFFFAOYSA-N 0 0 219.067 2.823 50 0 BFAARN COCCCC(=O)OC1CCCCCC1 ZINC000097364133 174169178 /nfs/dbraw/zinc/16/91/78/174169178.db2.gz VTWFTDFQRIIHSZ-UHFFFAOYSA-N 0 0 214.305 2.679 50 0 BFAARN COCCCNC(=O)c1ccc2ccccc2c1 ZINC000002824349 174245171 /nfs/dbraw/zinc/24/51/71/174245171.db2.gz ZNWXEUFLERZATN-UHFFFAOYSA-N 0 0 243.306 2.606 50 0 BFAARN COCCN(Cc1ccco1)Cc1ccco1 ZINC000053420654 174300958 /nfs/dbraw/zinc/30/09/58/174300958.db2.gz SIESNCIODJAPJX-UHFFFAOYSA-N 0 0 235.283 2.521 50 0 BFAARN Cc1ccc(-c2nc3cc(Cl)cnc3[nH]2)nc1 ZINC000095442588 322931063 /nfs/dbraw/zinc/93/10/63/322931063.db2.gz TYOBRQYYXXNMEC-UHFFFAOYSA-N 0 0 244.685 2.982 50 0 BFAARN COCCNc1c2c([nH+]c3ccccc31)CCC2 ZINC000004040287 174341205 /nfs/dbraw/zinc/34/12/05/174341205.db2.gz UQGURPVMSNBQFQ-UHFFFAOYSA-N 0 0 242.322 2.782 50 0 BFAARN COCCOc1ccc(F)c(Cl)c1 ZINC000194501276 174368341 /nfs/dbraw/zinc/36/83/41/174368341.db2.gz IRAZLCXXPDPZAN-UHFFFAOYSA-N 0 0 204.628 2.504 50 0 BFAARN CO[C@@H]1CCC[C@@H](OC(=O)CC(C)(C)C)C1 ZINC000097043845 174748316 /nfs/dbraw/zinc/74/83/16/174748316.db2.gz IHIGGSOXCMITHM-GHMZBOCLSA-N 0 0 228.332 2.923 50 0 BFAARN COc1c(C)cc(C=O)cc1C(F)(F)F ZINC000096029408 174923268 /nfs/dbraw/zinc/92/32/68/174923268.db2.gz UJHKXHXOLJJFDF-UHFFFAOYSA-N 0 0 218.174 2.835 50 0 BFAARN COc1cc(C(=O)Nc2cccc(C)c2C)on1 ZINC000090609981 174948883 /nfs/dbraw/zinc/94/88/83/174948883.db2.gz WEDNCRMHQOAZKN-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1cc(OC(F)(F)F)ccc1C ZINC000091252036 175006712 /nfs/dbraw/zinc/00/67/12/175006712.db2.gz XYFKOVVUHAFOSZ-UHFFFAOYSA-N 0 0 206.163 2.902 50 0 BFAARN COc1cc(CO)ccc1OCc1ccccc1 ZINC000000119795 174987113 /nfs/dbraw/zinc/98/71/13/174987113.db2.gz PDBXFVPMVYQICB-UHFFFAOYSA-N 0 0 244.290 2.767 50 0 in-vitro BFAARN COc1cc(F)cc(Br)c1 ZINC000014628931 174993727 /nfs/dbraw/zinc/99/37/27/174993727.db2.gz XVNQVSGOIUYOPB-UHFFFAOYSA-N 0 0 205.026 2.597 50 0 BFAARN COc1cc(F)ccc1NCc1cc(C)on1 ZINC000069595138 174994736 /nfs/dbraw/zinc/99/47/36/174994736.db2.gz GADVVUKQABQDNO-UHFFFAOYSA-N 0 0 236.246 2.743 50 0 BFAARN COc1cc(NC(=O)c2ccoc2)cc(OC)c1 ZINC000012615718 175000819 /nfs/dbraw/zinc/00/08/19/175000819.db2.gz NIDNMGRCGGLJMD-UHFFFAOYSA-N 0 0 247.250 2.549 50 0 BFAARN COc1cc2c(C)cc(=O)oc2cc1Cl ZINC000000035192 175019089 /nfs/dbraw/zinc/01/90/89/175019089.db2.gz PSCCFVCBVVGBFZ-UHFFFAOYSA-N 0 0 224.643 2.763 50 0 biogenic BFAARN COc1cc2ccc(C=O)cc2c(OC)c1OC ZINC000039238079 175027527 /nfs/dbraw/zinc/02/75/27/175027527.db2.gz MUEBXOUWLXPUQN-UHFFFAOYSA-N 0 0 246.262 2.678 50 0 BFAARN COc1cc2ccc(=O)oc2c2ccoc21 ZINC000003197732 175027600 /nfs/dbraw/zinc/02/76/00/175027600.db2.gz DLCJNIBLOSKIQW-UHFFFAOYSA-N 0 0 216.192 2.548 50 0 biogenic,in-vitro BFAARN COc1ccc(-c2cccc([C@@H](C)O)n2)cc1F ZINC000096152443 175034880 /nfs/dbraw/zinc/03/48/80/175034880.db2.gz UBNKXHDLXZBNIP-SECBINFHSA-N 0 0 247.269 2.950 50 0 BFAARN COc1ccc(-c2nc(SC(C)C)n[nH]2)cc1 ZINC000014092772 175038052 /nfs/dbraw/zinc/03/80/52/175038052.db2.gz BLNISHTWGHNPAV-UHFFFAOYSA-N 0 0 249.339 2.981 50 0 BFAARN COc1ccc(-c2nc(CO)cs2)cc1C ZINC000067878649 175039478 /nfs/dbraw/zinc/03/94/78/175039478.db2.gz INFFZARXKGLAAN-UHFFFAOYSA-N 0 0 235.308 2.619 50 0 BFAARN COc1ccc(-c2n[nH]c(=O)cc2Cl)cc1 ZINC000039297458 175042764 /nfs/dbraw/zinc/04/27/64/175042764.db2.gz ASLHPMQGAZACNG-UHFFFAOYSA-N 0 0 236.658 2.511 50 0 BFAARN COc1ccc(Br)c2[nH]ccc21 ZINC000002525086 175051173 /nfs/dbraw/zinc/05/11/73/175051173.db2.gz WWKHWWGUJPWWDF-UHFFFAOYSA-N 0 0 226.073 2.939 50 0 BFAARN COc1ccc(C(=O)C2(O)CCCCCC2)cc1 ZINC000039932992 175052749 /nfs/dbraw/zinc/05/27/49/175052749.db2.gz HHFINCHPIXEDTM-UHFFFAOYSA-N 0 0 248.322 2.963 50 0 BFAARN COc1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000000029238 175055260 /nfs/dbraw/zinc/05/52/60/175055260.db2.gz VMXRELIVNJKWRJ-UHFFFAOYSA-N 0 0 241.290 2.972 50 0 BFAARN COc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000000075776 175058076 /nfs/dbraw/zinc/05/80/76/175058076.db2.gz YXADNHMHAQGLNJ-VXGBXAGGSA-N 0 0 247.338 2.813 50 0 BFAARN COc1ccc(C(=O)c2ccc(C)nc2)cc1 ZINC000045029053 175065999 /nfs/dbraw/zinc/06/59/99/175065999.db2.gz SFAVOWYDIYDRGU-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1ccc(C(=O)c2ncccc2C)cc1 ZINC000045028654 175066947 /nfs/dbraw/zinc/06/69/47/175066947.db2.gz QLWHCWTVJNBAPY-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1ccc(C(F)(F)F)cc1NC(C)=O ZINC000004867439 175069797 /nfs/dbraw/zinc/06/97/97/175069797.db2.gz GYTRZNLJNMZADR-UHFFFAOYSA-N 0 0 233.189 2.672 50 0 BFAARN COc1ccc(C)cc1I ZINC000002528199 175076582 /nfs/dbraw/zinc/07/65/82/175076582.db2.gz OASGOCIPNQWXLR-UHFFFAOYSA-N 0 0 248.063 2.608 50 0 BFAARN COc1ccc(C)cc1[C@H](C)NC(=O)C1CC1 ZINC000008129569 175080986 /nfs/dbraw/zinc/08/09/86/175080986.db2.gz SWTSAUWLBPIWNT-JTQLQIEISA-N 0 0 233.311 2.591 50 0 BFAARN C=CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000037831236 487629640 /nfs/dbraw/zinc/62/96/40/487629640.db2.gz LBGDCXIUFNWKTA-JTQLQIEISA-N 0 0 221.325 2.770 50 0 BFAARN COc1ccc(C=O)cc1OCCC(C)C ZINC000008560496 175085945 /nfs/dbraw/zinc/08/59/45/175085945.db2.gz DXKJFUIMEVOZKJ-UHFFFAOYSA-N 0 0 222.284 2.933 50 0 BFAARN COc1ccc(C=O)cc1OCC(C)C ZINC000003298526 175086110 /nfs/dbraw/zinc/08/61/10/175086110.db2.gz VUGWJDGEPZNBKZ-UHFFFAOYSA-N 0 0 208.257 2.543 50 0 BFAARN COc1ccc(CN(C)Cc2cc(C)on2)cc1 ZINC000058007685 175095333 /nfs/dbraw/zinc/09/53/33/175095333.db2.gz WYUVKIYZSXBJIC-UHFFFAOYSA-N 0 0 246.310 2.624 50 0 BFAARN COc1ccc(COc2cccc(F)c2)cc1N ZINC000021520790 175114631 /nfs/dbraw/zinc/11/46/31/175114631.db2.gz OOECXWAJHCDUNS-UHFFFAOYSA-N 0 0 247.269 2.996 50 0 BFAARN COc1ccc(F)c(-c2ccccn2)c1 ZINC000065456520 175124740 /nfs/dbraw/zinc/12/47/40/175124740.db2.gz XZYPNBRHPRDKJF-UHFFFAOYSA-N 0 0 203.216 2.896 50 0 BFAARN COc1ccc(F)cc1-c1csc(N)n1 ZINC000012568349 175127378 /nfs/dbraw/zinc/12/73/78/175127378.db2.gz AJSHECLHRCNMOP-UHFFFAOYSA-N 0 0 224.260 2.540 50 0 BFAARN COc1ccc(NC(=O)C2CCC2)cc1F ZINC000048505974 175140536 /nfs/dbraw/zinc/14/05/36/175140536.db2.gz AEFZFKZTXDRQIX-UHFFFAOYSA-N 0 0 223.247 2.573 50 0 BFAARN COc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000007917410 175143056 /nfs/dbraw/zinc/14/30/56/175143056.db2.gz VZNISIUAMIBOJV-LLVKDONJSA-N 0 0 231.295 2.990 50 0 BFAARN COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1Cl ZINC000005463867 175145127 /nfs/dbraw/zinc/14/51/27/175145127.db2.gz NFJNXCKNGOHUAQ-IONNQARKSA-N 0 0 239.702 2.943 50 0 BFAARN COc1ccc(NC(=O)c2ccncc2)c(C)c1 ZINC000001054774 175147251 /nfs/dbraw/zinc/14/72/51/175147251.db2.gz XKAUNSGKSCXGSW-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(NC(=O)c2occc2C)c(C)n1 ZINC000096470593 175148267 /nfs/dbraw/zinc/14/82/67/175148267.db2.gz ZXWUPNUBUAEONA-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1ccc(NCC(C)C)c(OC)c1 ZINC000019903356 175150528 /nfs/dbraw/zinc/15/05/28/175150528.db2.gz AIRPCVIPEGVBPJ-UHFFFAOYSA-N 0 0 209.289 2.772 50 0 BFAARN COc1ccc(NC[C@@H]2CCCO2)cc1Cl ZINC000020041162 175151928 /nfs/dbraw/zinc/15/19/28/175151928.db2.gz RFQNEKFLYMSVJL-JTQLQIEISA-N 0 0 241.718 2.940 50 0 BFAARN COc1ccc(Nc2cc(C)ncn2)cc1 ZINC000000265271 175156162 /nfs/dbraw/zinc/15/61/62/175156162.db2.gz BKKNPEMVSMAJHB-UHFFFAOYSA-N 0 0 215.256 2.537 50 0 BFAARN COc1ccc(OC(=O)CC(C)C)cc1OC ZINC000076091018 175162508 /nfs/dbraw/zinc/16/25/08/175162508.db2.gz WRZWHSXUHNMAAT-UHFFFAOYSA-N 0 0 238.283 2.655 50 0 BFAARN COc1ccc(OC)c(CNc2cc(C)on2)c1 ZINC000083378382 175166227 /nfs/dbraw/zinc/16/62/27/175166227.db2.gz QCQGTFIEJDCAMB-UHFFFAOYSA-N 0 0 248.282 2.612 50 0 BFAARN COc1ccc([S@](=O)CC2CCCC2)cc1 ZINC000097033801 175201435 /nfs/dbraw/zinc/20/14/35/175201435.db2.gz LWCAJVKTTNVMAR-INIZCTEOSA-N 0 0 238.352 2.993 50 0 BFAARN COc1ccc2c(c1)C(=O)c1ccccc1CO2 ZINC000000041777 175206692 /nfs/dbraw/zinc/20/66/92/175206692.db2.gz GTFOTXQFXHOBJY-UHFFFAOYSA-N 0 0 240.258 2.819 50 0 BFAARN COc1ccc2c(c1)CC(C)(C)CC2=O ZINC000039343051 175207913 /nfs/dbraw/zinc/20/79/13/175207913.db2.gz MAWZPNZRPKDBQI-UHFFFAOYSA-N 0 0 204.269 2.850 50 0 BFAARN COc1ccc2c(c1Br)C(=O)CC2 ZINC000002519660 175219424 /nfs/dbraw/zinc/21/94/24/175219424.db2.gz VRVDFHCIYLDELF-UHFFFAOYSA-N 0 0 241.084 2.587 50 0 BFAARN COc1ccc2c(c1)[nH]c1c2CCN(N=O)[C@@H]1C ZINC000004773142 175223766 /nfs/dbraw/zinc/22/37/66/175223766.db2.gz NPWLMIGFSUJVOK-MRVPVSSYSA-N 0 0 245.282 2.777 50 0 BFAARN COc1ccc2ccc(O)c(N=O)c2c1 ZINC000019336530 175225749 /nfs/dbraw/zinc/22/57/49/175225749.db2.gz UVNKSTJWSMMDEZ-UHFFFAOYSA-N 0 0 203.197 2.952 50 0 BFAARN COc1ccc2nc(Cl)nc(C)c2c1 ZINC000095935172 175228917 /nfs/dbraw/zinc/22/89/17/175228917.db2.gz WIWOJKFEOSFMKR-UHFFFAOYSA-N 0 0 208.648 2.600 50 0 BFAARN COc1cccc(C(=O)Nc2ccccc2)c1 ZINC000000361825 175246592 /nfs/dbraw/zinc/24/65/92/175246592.db2.gz OAAVWHUTJIJKOU-UHFFFAOYSA-N 0 0 227.263 2.948 50 0 in-vitro BFAARN COc1cccc(C(=O)Nc2ncc(C)s2)c1 ZINC000003555852 175246682 /nfs/dbraw/zinc/24/66/82/175246682.db2.gz ACCONHSCVIVFKV-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 BFAARN COc1cccc(C(=O)c2ccc(C)c(C)c2)n1 ZINC000045028775 175246916 /nfs/dbraw/zinc/24/69/16/175246916.db2.gz FZVXPPSHCNVIBY-UHFFFAOYSA-N 0 0 241.290 2.938 50 0 BFAARN COc1cccc(NC(=O)NC(C)(C)C)c1 ZINC000001738954 175276671 /nfs/dbraw/zinc/27/66/71/175276671.db2.gz UKRNORCTAUIYLC-UHFFFAOYSA-N 0 0 222.288 2.615 50 0 BFAARN COc1cccc(NC(=O)Nc2cc(C)on2)c1 ZINC000000137602 175277355 /nfs/dbraw/zinc/27/73/55/175277355.db2.gz ANLHQKKIKUNVBD-UHFFFAOYSA-N 0 0 247.254 2.636 50 0 BFAARN COc1cccc(NC(=O)Nc2nccs2)c1 ZINC000028226907 175277361 /nfs/dbraw/zinc/27/73/61/175277361.db2.gz KVRIJFIVIWXXKI-UHFFFAOYSA-N 0 0 249.295 2.796 50 0 BFAARN COc1cccc([C@@H](C)Sc2nc[nH]n2)c1 ZINC000083595077 175287832 /nfs/dbraw/zinc/28/78/32/175287832.db2.gz NVKSEHQZEIRVEE-MRVPVSSYSA-N 0 0 235.312 2.667 50 0 BFAARN COc1cccc([C@@H]2CCCN2C(=O)C2CC2)c1 ZINC000032889848 175289398 /nfs/dbraw/zinc/28/93/98/175289398.db2.gz AOHKYIQUEZJXQC-AWEZNQCLSA-N 0 0 245.322 2.769 50 0 BFAARN COc1cccc2c1-c1ccccc1C2=O ZINC000000382913 175300925 /nfs/dbraw/zinc/30/09/25/175300925.db2.gz HJJLIJKROVLQPG-UHFFFAOYSA-N 0 0 210.232 2.907 50 0 BFAARN COc1ccccc1/C=C/CN1CCSCC1 ZINC000000183393 175313857 /nfs/dbraw/zinc/31/38/57/175313857.db2.gz AMMOMAORSKJZTH-GQCTYLIASA-N 0 0 249.379 2.757 50 0 BFAARN COc1ccccc1C(=O)N(C(C)C)C(C)C ZINC000000075588 175316302 /nfs/dbraw/zinc/31/63/02/175316302.db2.gz JIRXADQFESAWGU-UHFFFAOYSA-N 0 0 235.327 2.954 50 0 BFAARN COc1ccccc1C(=O)Nc1cc(C)ccn1 ZINC000000343012 175319206 /nfs/dbraw/zinc/31/92/06/175319206.db2.gz NXSZOBGQEQDTSR-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccccc1C(=O)c1ccc(Cl)nc1 ZINC000045038675 175319453 /nfs/dbraw/zinc/31/94/53/175319453.db2.gz NFXOBOKMBFXPKZ-UHFFFAOYSA-N 0 0 247.681 2.975 50 0 BFAARN COc1ccccc1C(=O)c1cnccc1C ZINC000045028984 175319909 /nfs/dbraw/zinc/31/99/09/175319909.db2.gz FWKJBWUDWYYAQC-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1ccccc1C(=O)c1ccc(C)nc1 ZINC000045029051 175320224 /nfs/dbraw/zinc/32/02/24/175320224.db2.gz JQVLYHQDSXNORD-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1ccccc1CCC(=O)C1CCC1 ZINC000002516488 175321555 /nfs/dbraw/zinc/32/15/55/175321555.db2.gz QCKBKAKGLRJRLJ-UHFFFAOYSA-N 0 0 218.296 2.997 50 0 BFAARN COc1ccccc1CNC(=O)C[C@H]1C=CCC1 ZINC000008136310 175328715 /nfs/dbraw/zinc/32/87/15/175328715.db2.gz NBOIGXZURBHSAT-LBPRGKRZSA-N 0 0 245.322 2.668 50 0 BFAARN COc1ccccc1CNCc1ccoc1 ZINC000004030903 175330596 /nfs/dbraw/zinc/33/05/96/175330596.db2.gz GKZKBPSSQRNJFC-UHFFFAOYSA-N 0 0 217.268 2.578 50 0 BFAARN COc1ccccc1C[C@H]1CCCC1=O ZINC000041212676 175334172 /nfs/dbraw/zinc/33/41/72/175334172.db2.gz MLAXLJRAOMDRJC-SNVBAGLBSA-N 0 0 204.269 2.607 50 0 BFAARN COc1ccccc1N(C(C)=O)[C@@H](C)C1CC1 ZINC000000392703 175334685 /nfs/dbraw/zinc/33/46/85/175334685.db2.gz ADQXPDZRFGHZAK-JTQLQIEISA-N 0 0 233.311 2.847 50 0 BFAARN COc1ccccc1NC(=O)c1cccc(N)c1 ZINC000011737165 175336700 /nfs/dbraw/zinc/33/67/00/175336700.db2.gz CHWAPCIPUOQNNX-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1ccccc1NC(=O)[C@H]1CC=CCC1 ZINC000009217772 175336867 /nfs/dbraw/zinc/33/68/67/175336867.db2.gz WXORALCNIQURQH-NSHDSACASA-N 0 0 231.295 2.990 50 0 BFAARN COc1ccccc1NC(=O)c1ccccc1 ZINC000000260451 175337197 /nfs/dbraw/zinc/33/71/97/175337197.db2.gz ZHBQARHZUMHTRK-UHFFFAOYSA-N 0 0 227.263 2.948 50 0 biogenic BFAARN COc1ccccc1NCc1cscn1 ZINC000040420053 175337411 /nfs/dbraw/zinc/33/74/11/175337411.db2.gz UTVJQDZFBFAWFD-UHFFFAOYSA-N 0 0 220.297 2.764 50 0 BFAARN COc1ccccc1[C@H](C)NC(=O)[C@@H]1C[C@H]1C ZINC000048390880 175351198 /nfs/dbraw/zinc/35/11/98/175351198.db2.gz TXWFSBOJKQKTNF-JFGNBEQYSA-N 0 0 233.311 2.528 50 0 BFAARN COc1ccccc1[C@H](C)Nc1nccc(C)n1 ZINC000095398894 175352556 /nfs/dbraw/zinc/35/25/56/175352556.db2.gz GBXJETXKRFMMNG-NSHDSACASA-N 0 0 243.310 2.967 50 0 BFAARN COc1ccccc1[S@@](=O)c1ccccc1 ZINC000044139393 175356490 /nfs/dbraw/zinc/35/64/90/175356490.db2.gz FOYIPSPJAHHQKW-MRXNPFEDSA-N 0 0 232.304 2.862 50 0 BFAARN CSCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000032819593 175457790 /nfs/dbraw/zinc/45/77/90/175457790.db2.gz LNNPJHCRDUFQKP-GHMZBOCLSA-N 0 0 227.373 2.531 50 0 BFAARN CSc1cc(-c2ccccc2)ncn1 ZINC000011903022 175571587 /nfs/dbraw/zinc/57/15/87/175571587.db2.gz VWDRYDRARMHRAX-UHFFFAOYSA-N 0 0 202.282 2.866 50 0 BFAARN CSc1ccc2[nH]c(=O)cc(C)c2c1 ZINC000008716787 175579205 /nfs/dbraw/zinc/57/92/05/175579205.db2.gz SDTDDKCWIYAIOT-UHFFFAOYSA-N 0 0 205.282 2.558 50 0 BFAARN CSc1cccc(Br)n1 ZINC000015021693 175579751 /nfs/dbraw/zinc/57/97/51/175579751.db2.gz CWFMGEWBDIDVPZ-UHFFFAOYSA-N 0 0 204.092 2.566 50 0 BFAARN CSc1ccccc1C(=O)NCc1ccco1 ZINC000002875892 175582150 /nfs/dbraw/zinc/58/21/50/175582150.db2.gz WLHMEKCRMKXHFO-UHFFFAOYSA-N 0 0 247.319 2.932 50 0 BFAARN CSc1ncc(-c2ccccc2)cn1 ZINC000000169964 175589956 /nfs/dbraw/zinc/58/99/56/175589956.db2.gz XWLUWHOSZCALLD-UHFFFAOYSA-N 0 0 202.282 2.866 50 0 BFAARN CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000000732314 175590572 /nfs/dbraw/zinc/59/05/72/175590572.db2.gz CFPVKCWDDDIQRT-UHFFFAOYSA-N 0 0 239.731 2.857 50 0 BFAARN CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000002524024 175592157 /nfs/dbraw/zinc/59/21/57/175592157.db2.gz ROSOGEPUGMRYOY-UHFFFAOYSA-N 0 0 231.324 2.867 50 0 BFAARN C[C@@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000000247744 175772804 /nfs/dbraw/zinc/77/28/04/175772804.db2.gz HQBLYOPXFMIQNV-NSHDSACASA-N 0 0 229.279 2.641 50 0 BFAARN C[C@@H](Cc1ccco1)NC(=O)[C@H]1CC=CCC1 ZINC000040074709 175774534 /nfs/dbraw/zinc/77/45/34/175774534.db2.gz NZQAQPUXSWLLRF-RYUDHWBXSA-N 0 0 233.311 2.683 50 0 BFAARN C[C@@H](NC(=O)C(C)(C)C)c1ccccc1 ZINC000000409778 175824780 /nfs/dbraw/zinc/82/47/80/175824780.db2.gz HBBKPRZFGXDWHG-SNVBAGLBSA-N 0 0 205.301 2.910 50 0 BFAARN C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccccn1 ZINC000028780638 175842964 /nfs/dbraw/zinc/84/29/64/175842964.db2.gz FCBQPQAKQOKQMW-VXGBXAGGSA-N 0 0 230.311 2.615 50 0 BFAARN C[C@@H](NC(=O)c1ccc(N)cc1)c1ccccc1 ZINC000001438789 175848713 /nfs/dbraw/zinc/84/87/13/175848713.db2.gz LRMURALCBANCSV-LLVKDONJSA-N 0 0 240.306 2.760 50 0 BFAARN C[C@@H](NC(=O)c1ccccc1)c1ccc(O)cc1 ZINC000001445995 175850395 /nfs/dbraw/zinc/85/03/95/175850395.db2.gz AIXMWCAPWLPPLG-LLVKDONJSA-N 0 0 241.290 2.883 50 0 BFAARN C[C@@H](O)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000000408374 176001120 /nfs/dbraw/zinc/00/11/20/176001120.db2.gz SEKVBWUAFVMOOZ-SCSAIBSYSA-N 0 0 231.082 2.923 50 0 BFAARN C[C@@H](OC(=O)Cc1ccccc1)C(F)(F)F ZINC000002172759 176001707 /nfs/dbraw/zinc/00/17/07/176001707.db2.gz WHGKRESXPNJCGE-MRVPVSSYSA-N 0 0 232.201 2.723 50 0 BFAARN C[C@@H](OCc1ccccc1)C(=O)NC(C)(C)C ZINC000040516080 176003408 /nfs/dbraw/zinc/00/34/08/176003408.db2.gz SYWMUMLXGCNUSM-LLVKDONJSA-N 0 0 235.327 2.506 50 0 BFAARN C[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)C ZINC000012380294 176004456 /nfs/dbraw/zinc/00/44/56/176004456.db2.gz SFKOJHZYAGQIOL-LLVKDONJSA-N 0 0 243.306 2.695 50 0 BFAARN C[C@@H](SCc1ccc(F)cc1Cl)C(N)=O ZINC000045089933 176008922 /nfs/dbraw/zinc/00/89/22/176008922.db2.gz MPDVVKJFFONTSY-ZCFIWIBFSA-N 0 0 247.722 2.586 50 0 BFAARN C[C@@H](c1cccc(F)c1)N1CCn2ccnc2C1 ZINC000097201310 176017757 /nfs/dbraw/zinc/01/77/57/176017757.db2.gz VMYCNBFGFFEUTF-NSHDSACASA-N 0 0 245.301 2.599 50 0 BFAARN C[C@@H](c1ccccc1)n1c2ccccc2[nH]c1=O ZINC000001424690 176023580 /nfs/dbraw/zinc/02/35/80/176023580.db2.gz BRGWBLVOBBLKET-NSHDSACASA-N 0 0 238.290 2.939 50 0 BFAARN C[C@@H](c1nc(-c2ccon2)no1)C1CCC1 ZINC000333874378 176038524 /nfs/dbraw/zinc/03/85/24/176038524.db2.gz SMAVCDMKWCJBSL-SSDOTTSWSA-N 0 0 219.244 2.628 50 0 BFAARN C[C@@H]1CCCCN1C(=O)/C=C/c1ccco1 ZINC000006249952 176066214 /nfs/dbraw/zinc/06/62/14/176066214.db2.gz ZGUZPTGJKCGZIJ-WSKFYRRCSA-N 0 0 219.284 2.694 50 0 BFAARN C[C@@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC000032747822 176067124 /nfs/dbraw/zinc/06/71/24/176067124.db2.gz DFGIGHKLPCHAPB-NEPJUHHUSA-N 0 0 207.317 2.744 50 0 BFAARN C[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000032843731 176093624 /nfs/dbraw/zinc/09/36/24/176093624.db2.gz BJJIRGXHGXQQKS-VXGBXAGGSA-N 0 0 207.317 2.601 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2cc(Cl)ccn2)C1 ZINC000036804043 176094560 /nfs/dbraw/zinc/09/45/60/176094560.db2.gz UNSWOZHXRYDQLP-SECBINFHSA-N 0 0 238.718 2.607 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2ccc(Cl)nc2)C1 ZINC000001463524 176095645 /nfs/dbraw/zinc/09/56/45/176095645.db2.gz HRVYSCHTBOJEOY-SECBINFHSA-N 0 0 238.718 2.607 50 0 BFAARN C[C@@H]1CCCN([C@H]2OC(=O)c3ccccc32)C1 ZINC000035092906 176102823 /nfs/dbraw/zinc/10/28/23/176102823.db2.gz JYKDZGJVWHHXFP-MFKMUULPSA-N 0 0 231.295 2.588 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)c2cccnc2)[C@@H]1C ZINC000009969958 176122930 /nfs/dbraw/zinc/12/29/30/176122930.db2.gz UYTYXXIMPJCQLO-NQBHXWOUSA-N 0 0 232.327 2.636 50 0 BFAARN C[C@@H]1CCC[C@H](CC[N@@H+]2CCC[C@H]2C(=O)[O-])C1 ZINC000237607473 176136814 /nfs/dbraw/zinc/13/68/14/176136814.db2.gz OMAFQQGOPKTRBJ-UPJWGTAASA-N 0 0 239.359 2.752 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)COc2ccccc2)C1 ZINC000000406710 176141268 /nfs/dbraw/zinc/14/12/68/176141268.db2.gz JBWQWECAMPHZCG-OLZOCXBDSA-N 0 0 247.338 2.760 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)/C=C\c2cccnc2)C1 ZINC000096298734 176141525 /nfs/dbraw/zinc/14/15/25/176141525.db2.gz XTTALFPNMRPTQE-QJPJPVNKSA-N 0 0 244.338 2.790 50 0 BFAARN C[C@@H]1CCc2c(C(=O)N3CCC3)csc2C1 ZINC000032721247 176239306 /nfs/dbraw/zinc/23/93/06/176239306.db2.gz ICPFMKBREADMPN-SECBINFHSA-N 0 0 235.352 2.719 50 0 BFAARN C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000023114701 176304320 /nfs/dbraw/zinc/30/43/20/176304320.db2.gz CVNSXCFVYUQSAW-NXEZZACHSA-N 0 0 241.281 2.574 50 0 BFAARN C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000299747162 176316533 /nfs/dbraw/zinc/31/65/33/176316533.db2.gz CFSFGSDZQVOUKJ-YRGRVCCFSA-N 0 0 247.338 2.585 50 0 BFAARN C[C@@H]1COc2cccc(Br)c2OC1 ZINC000074937853 176347834 /nfs/dbraw/zinc/34/78/34/176347834.db2.gz SVQYBLHUCPEMDG-SSDOTTSWSA-N 0 0 243.100 2.856 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000042622895 176384693 /nfs/dbraw/zinc/38/46/93/176384693.db2.gz KNCUBBURLBIXPJ-DDTOSNHZSA-N 0 0 229.323 2.788 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1F ZINC000000372138 176387335 /nfs/dbraw/zinc/38/73/35/176387335.db2.gz FQBRESKKJAUMQD-SVRRBLITSA-N 0 0 211.211 2.559 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)Nc1ccccc1Cl ZINC000014373335 176432925 /nfs/dbraw/zinc/43/29/25/176432925.db2.gz JUIGCSWMUCBRRG-HTQZYQBOSA-N 0 0 209.676 2.935 50 0 BFAARN C[C@@]12CCCCC1=NN(c1ccccc1)C2=O ZINC000071774161 176549275 /nfs/dbraw/zinc/54/92/75/176549275.db2.gz WGUHAEFYDBOPEH-CQSZACIVSA-N 0 0 228.295 2.970 50 0 BFAARN C[C@H](C(=O)N(C)C)c1ccc(Cl)s1 ZINC000089905014 176556486 /nfs/dbraw/zinc/55/64/86/176556486.db2.gz VGSZTDOFMUUHFY-LURJTMIESA-N 0 0 217.721 2.593 50 0 BFAARN C[C@H](C1CC1)N(C)c1ncnc2ccsc21 ZINC000032906791 176594006 /nfs/dbraw/zinc/59/40/06/176594006.db2.gz LSGZSUHZIDMBKU-MRVPVSSYSA-N 0 0 233.340 2.926 50 0 BFAARN C[C@H](Cc1ccco1)NC(=O)c1cccs1 ZINC000042381750 176724966 /nfs/dbraw/zinc/72/49/66/176724966.db2.gz JOTZZRNPPVMUSY-SECBINFHSA-N 0 0 235.308 2.702 50 0 BFAARN C[C@@H](NC(=O)N[C@@H](C)c1ccco1)C1CCC1 ZINC000095440216 176804419 /nfs/dbraw/zinc/80/44/19/176804419.db2.gz XMSRJQXUOSFDPE-ZJUUUORDSA-N 0 0 236.315 2.828 50 0 BFAARN C[C@H](NC(=O)[C@H]1C[C@H]1C)c1cccs1 ZINC000032986497 176815461 /nfs/dbraw/zinc/81/54/61/176815461.db2.gz YQRNABVEFVCXDZ-VGMNWLOBSA-N 0 0 209.314 2.581 50 0 BFAARN C[C@H](O)[C@H](C)SCc1cnc(Cl)s1 ZINC000121204122 177013162 /nfs/dbraw/zinc/01/31/62/177013162.db2.gz BMOHUSFVERKVPN-WDSKDSINSA-N 0 0 237.777 2.799 50 0 BFAARN C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000008698322 177017584 /nfs/dbraw/zinc/01/75/84/177017584.db2.gz RFESEZYNEIOJHS-LURJTMIESA-N 0 0 206.163 2.639 50 0 BFAARN C[C@H](OC(=O)COC(C)(C)C)c1ccccn1 ZINC000095465920 177019533 /nfs/dbraw/zinc/01/95/33/177019533.db2.gz NQEASZDTDPPMHN-JTQLQIEISA-N 0 0 237.299 2.501 50 0 BFAARN C[C@H](Oc1ccccc1)C(=O)NC1CCCCC1 ZINC000000030425 177024177 /nfs/dbraw/zinc/02/41/77/177024177.db2.gz HXTHROHHQBSOET-LBPRGKRZSA-N 0 0 247.338 2.903 50 0 BFAARN C[C@H](c1ccccc1)N(C)C(=O)c1ccccn1 ZINC000032721749 177037937 /nfs/dbraw/zinc/03/79/37/177037937.db2.gz PYNLCISMNFZWOO-GFCCVEGCSA-N 0 0 240.306 2.915 50 0 BFAARN C[C@H](c1nc(C(C)(C)C)no1)N1CCCC1 ZINC000044069587 177053153 /nfs/dbraw/zinc/05/31/53/177053153.db2.gz PIVXYVKWEWXHKL-SECBINFHSA-N 0 0 223.320 2.524 50 0 BFAARN C[C@H]1CCCCN1C(=O)CSC(F)(F)F ZINC000044918105 177071809 /nfs/dbraw/zinc/07/18/09/177071809.db2.gz ULLJSJNEEMKWTC-ZETCQYMHSA-N 0 0 241.278 2.640 50 0 BFAARN C[C@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc21 ZINC000071916451 177072806 /nfs/dbraw/zinc/07/28/06/177072806.db2.gz KQIIKRRNZJYVDH-SMDDNHRTSA-N 0 0 229.323 2.727 50 0 BFAARN C[C@H]1CCCCN1C(=O)c1ccc(Cl)nc1 ZINC000001472286 177074053 /nfs/dbraw/zinc/07/40/53/177074053.db2.gz XCBFDGHHGVSHQB-VIFPVBQESA-N 0 0 238.718 2.750 50 0 BFAARN C[C@H]1CCCCN1C(=O)c1cccnc1Cl ZINC000001480358 177074351 /nfs/dbraw/zinc/07/43/51/177074351.db2.gz FJJONAHGVJUXRU-VIFPVBQESA-N 0 0 238.718 2.750 50 0 BFAARN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccncc1 ZINC000032787689 177081131 /nfs/dbraw/zinc/08/11/31/177081131.db2.gz AKYARILXZCLJMB-AAEUAGOBSA-N 0 0 232.327 2.732 50 0 BFAARN C[C@H]1CCCC[C@H]1N(C)C(=O)c1cccnc1 ZINC000032787714 177087349 /nfs/dbraw/zinc/08/73/49/177087349.db2.gz WRSZZFVMWLTOCR-WCQYABFASA-N 0 0 232.327 2.732 50 0 BFAARN C[C@H](c1nc(C2CC2)no1)N1CCC[C@H](C)C1 ZINC000225235588 177105264 /nfs/dbraw/zinc/10/52/64/177105264.db2.gz CGMAYWKBUIMRMM-VHSXEESVSA-N 0 0 235.331 2.740 50 0 BFAARN C[C@H]1CCC[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC000041038982 177136077 /nfs/dbraw/zinc/13/60/77/177136077.db2.gz CQPOUINBWZXCAO-ONGXEEELSA-N 0 0 236.290 2.529 50 0 BFAARN C[C@H]1CN(C(=O)NCC2CC2)[C@H]1c1ccccc1 ZINC000170004154 177219906 /nfs/dbraw/zinc/21/99/06/177219906.db2.gz IYNCISVLLJACPG-SMDDNHRTSA-N 0 0 244.338 2.799 50 0 BFAARN C[C@H]1C[N@H+](CCCC(=O)[O-])[C@H]1c1ccccc1 ZINC000299753679 177248670 /nfs/dbraw/zinc/24/86/70/177248670.db2.gz YYGVVKJGQUULKB-SMDDNHRTSA-N 0 0 233.311 2.544 50 0 BFAARN C[C@H]1CN(Cc2cc(F)ccc2F)C[C@H](C)O1 ZINC000023280380 177260201 /nfs/dbraw/zinc/26/02/01/177260201.db2.gz QKXZECVENBQXPC-UWVGGRQHSA-N 0 0 241.281 2.574 50 0 BFAARN C[C@@H]1CN(Cc2cc(F)ccc2F)C[C@H](C)O1 ZINC000023280376 177260725 /nfs/dbraw/zinc/26/07/25/177260725.db2.gz QKXZECVENBQXPC-AOOOYVTPSA-N 0 0 241.281 2.574 50 0 BFAARN C[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC000012341304 177263648 /nfs/dbraw/zinc/26/36/48/177263648.db2.gz VMZLJDJODGHFPC-AOOOYVTPSA-N 0 0 241.281 2.574 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1Cl ZINC000012979434 177339355 /nfs/dbraw/zinc/33/93/55/177339355.db2.gz MISYTIIRDFJOOG-ONGXEEELSA-N 0 0 237.730 2.954 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000012979425 177339806 /nfs/dbraw/zinc/33/98/06/177339806.db2.gz AHXDZHQQWSTZBK-CABZTGNLSA-N 0 0 237.730 2.954 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)NCc1ccc(Cl)s1 ZINC000025521836 177340467 /nfs/dbraw/zinc/34/04/67/177340467.db2.gz RTIWXPPOCRZDDI-XPUUQOCRSA-N 0 0 229.732 2.674 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000023584067 177340555 /nfs/dbraw/zinc/34/05/55/177340555.db2.gz KEDJQFLLRPRICD-KUCLCAPISA-N 0 0 233.355 2.727 50 0 BFAARN C[C@@H]1CC[C@@H](OC(=O)c2cocn2)C[C@@H]1C ZINC000097163003 177374409 /nfs/dbraw/zinc/37/44/09/177374409.db2.gz IIOSMUAHNLIVFT-KXUCPTDWSA-N 0 0 223.272 2.656 50 0 BFAARN C[C@H]1Cn2c(nnc2-c2ccc(F)cc2)S1 ZINC000000109254 177392331 /nfs/dbraw/zinc/39/23/31/177392331.db2.gz QWTNNXJLKHZHHG-ZETCQYMHSA-N 0 0 235.287 2.578 50 0 BFAARN C[C@H]1OCC[C@@H]1Nc1cccc2ccn(C)c21 ZINC000188778824 177403040 /nfs/dbraw/zinc/40/30/40/177403040.db2.gz DNJJKGRELOJJTQ-PWSUYJOCSA-N 0 0 230.311 2.768 50 0 BFAARN C[C@H]1c2cccn2CCN1C(=O)OC1CCCC1 ZINC000240871447 177438531 /nfs/dbraw/zinc/43/85/31/177438531.db2.gz IKPHJLCBPKVPQH-NSHDSACASA-N 0 0 248.326 2.944 50 0 BFAARN C[Si](C)(C)c1ccc(Br)cc1 ZINC000169876572 177500336 /nfs/dbraw/zinc/50/03/36/177500336.db2.gz UKTSSJJZFVGTCG-UHFFFAOYSA-N 0 0 229.193 2.994 50 0 BFAARN Cc1[nH]ccc(=O)c1OCc1ccc(Cl)cc1 ZINC000008615088 177518176 /nfs/dbraw/zinc/51/81/76/177518176.db2.gz AIKKJZVAUWDTKS-UHFFFAOYSA-N 0 0 249.697 2.916 50 0 BFAARN Cc1ncccc1CCC(=O)OC(C)(C)C ZINC000498051134 226330394 /nfs/dbraw/zinc/33/03/94/226330394.db2.gz VPUSGVPTUSNMPQ-UHFFFAOYSA-N 0 0 221.300 2.664 50 0 BFAARN CC1(C)c2cc3ccccc3cc2S1(=O)=O ZINC000043214858 262790022 /nfs/dbraw/zinc/79/00/22/262790022.db2.gz JPEHVEKYKMFYEY-UHFFFAOYSA-N 0 0 232.304 2.862 50 0 BFAARN COc1ccc(OC)c2c1CC=C(Cl)C2 ZINC000043214969 262790153 /nfs/dbraw/zinc/79/01/53/262790153.db2.gz ZGOGQCCJSRAVOO-UHFFFAOYSA-N 0 0 224.687 2.925 50 0 BFAARN CC(C)CC(=O)N[C@H](C)Cc1cccs1 ZINC000038935399 487802001 /nfs/dbraw/zinc/80/20/01/487802001.db2.gz HSEWHWVWGVVKQS-SNVBAGLBSA-N 0 0 225.357 2.841 50 0 BFAARN COc1cccc([C@@H](C)Sc2n[nH]c(C)n2)c1 ZINC000083203268 487825646 /nfs/dbraw/zinc/82/56/46/487825646.db2.gz FGDIAOHWSQTNHM-MRVPVSSYSA-N 0 0 249.339 2.975 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000045601100 487846610 /nfs/dbraw/zinc/84/66/10/487846610.db2.gz REHCTCPTSJTQMA-CABZTGNLSA-N 0 0 237.730 2.655 50 0 BFAARN CC(C)N(C(=O)c1cccc(N)c1)C(C)C ZINC000085483146 322961620 /nfs/dbraw/zinc/96/16/20/322961620.db2.gz RUUVNNMTPOLLLQ-UHFFFAOYSA-N 0 0 220.316 2.528 50 0 BFAARN CCn1cc(NC(=O)Nc2ccccc2C)cn1 ZINC000048954246 487936019 /nfs/dbraw/zinc/93/60/19/487936019.db2.gz SQKSJFWPGWIVNK-UHFFFAOYSA-N 0 0 244.298 2.855 50 0 BFAARN Cc1ccc(NC(=O)NOC2CCCC2)cc1 ZINC000089265201 487952942 /nfs/dbraw/zinc/95/29/42/487952942.db2.gz SPSKWOUNPSBIHL-UHFFFAOYSA-N 0 0 234.299 2.991 50 0 BFAARN CCCc1nnc(NCc2ccc(CC)o2)o1 ZINC000097231682 322986433 /nfs/dbraw/zinc/98/64/33/322986433.db2.gz KKRVJGUARDBIEQ-UHFFFAOYSA-N 0 0 235.287 2.790 50 0 BFAARN CSCCC(=O)NC1(c2cccc(C)c2)CC1 ZINC000534646533 323156624 /nfs/dbraw/zinc/15/66/24/323156624.db2.gz PFHFIMWRDCGOPA-UHFFFAOYSA-N 0 0 249.379 2.853 50 0 BFAARN CC[C@@H](C(=O)NCC1(C(C)C)CC1)n1cccc1 ZINC000534658831 323158050 /nfs/dbraw/zinc/15/80/50/323158050.db2.gz XZXJYLIBXYRIEX-ZDUSSCGKSA-N 0 0 248.370 2.992 50 0 BFAARN O=C(CCC/C=C\CO)c1ccc(F)cc1 ZINC000039119609 323236249 /nfs/dbraw/zinc/23/62/49/323236249.db2.gz SUGFFCLJUOYUCM-RQOWECAXSA-N 0 0 222.259 2.727 50 0 BFAARN Clc1cc(Cl)cc(OC[C@@H]2CO2)c1 ZINC000036814213 323938921 /nfs/dbraw/zinc/93/89/21/323938921.db2.gz WINSUAJGKBCXIF-SECBINFHSA-N 0 0 219.067 2.771 50 0 BFAARN C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)NCC2CC2)o1 ZINC000254874488 325775482 /nfs/dbraw/zinc/77/54/82/325775482.db2.gz GZZFZYWRWCYFPS-MIEUEZKFSA-N 0 0 245.322 2.942 50 0 BFAARN CCCCC[C@@H](C)NC(=O)NCC(C)C ZINC000084743048 488090212 /nfs/dbraw/zinc/09/02/12/488090212.db2.gz UJSTWHHUQGQRNN-LLVKDONJSA-N 0 0 214.353 2.910 50 0 BFAARN CCCCN1CCC[C@@H]1c1noc(C2CC2)n1 ZINC000084744460 488090234 /nfs/dbraw/zinc/09/02/34/488090234.db2.gz CEDGEAUEOQXFBU-LLVKDONJSA-N 0 0 235.331 2.884 50 0 BFAARN CCCCC[C@@H](C)NC(=O)NC(C)C ZINC000084743045 488090336 /nfs/dbraw/zinc/09/03/36/488090336.db2.gz IHKIBHUNAZSCRQ-SNVBAGLBSA-N 0 0 200.326 2.663 50 0 BFAARN Cc1cnc([C@@H](C)N2CCC[C@@](C)(F)C2)o1 ZINC000336275369 487537338 /nfs/dbraw/zinc/53/73/38/487537338.db2.gz IZUBONNENREMDT-ZYHUDNBSSA-N 0 0 226.295 2.868 50 0 BFAARN C[Si](C)(C)/C=C\S(=O)(=O)c1ccccc1 ZINC000169828917 487548291 /nfs/dbraw/zinc/54/82/91/487548291.db2.gz OAFHXIYOGFKWQE-KTKRTIGZSA-N 0 0 240.400 2.851 50 0 BFAARN Cc1nnc([C@@]2(c3ccc(F)cc3)CC2(C)C)[nH]1 ZINC000670450282 487502882 /nfs/dbraw/zinc/50/28/82/487502882.db2.gz WJGYMGNQKHHNKG-AWEZNQCLSA-N 0 0 245.301 2.968 50 0 BFAARN CCc1nc(C(=O)OCCC2CCCC2)co1 ZINC000097097106 487829350 /nfs/dbraw/zinc/82/93/50/487829350.db2.gz GPXXNHIYPLFGRA-UHFFFAOYSA-N 0 0 237.299 2.974 50 0 BFAARN COC[C@H](C)Nc1cccc(N(C)C)c1C ZINC000097162443 490326027 /nfs/dbraw/zinc/32/60/27/490326027.db2.gz XOGNYAILWRMIME-JTQLQIEISA-N 0 0 222.332 2.508 50 0 BFAARN Fc1cc(Br)c2nccnc2c1 ZINC000224682996 491095893 /nfs/dbraw/zinc/09/58/93/491095893.db2.gz SDRGWVVFJBAFNR-UHFFFAOYSA-N 0 0 227.036 2.531 50 0 BFAARN Cc1cc(C(=O)NCc2ccc(F)cc2)c(C)o1 ZINC000003415328 491105663 /nfs/dbraw/zinc/10/56/63/491105663.db2.gz DNIFEAATKACLLA-UHFFFAOYSA-N 0 0 247.269 2.966 50 0 BFAARN CC(C)CSCCCNC(=O)c1ccco1 ZINC000089856445 519768707 /nfs/dbraw/zinc/76/87/07/519768707.db2.gz LGYJMPHNWLSMMN-UHFFFAOYSA-N 0 0 241.356 2.789 50 0 BFAARN Cc1noc(C)c1NC(=O)c1cccc(F)c1 ZINC000084025571 518194129 /nfs/dbraw/zinc/19/41/29/518194129.db2.gz GIXKBFLUYKKWMW-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN CC(=O)c1cc(N)ccc1N1CCC(C)CC1 ZINC000084036688 518290174 /nfs/dbraw/zinc/29/01/74/518290174.db2.gz QWFWKFAXZACKHI-UHFFFAOYSA-N 0 0 232.327 2.708 50 0 BFAARN CC[C@H]1CCC(O)=C(C(=O)C(C)(C)C)C1 ZINC000043651537 582806231 /nfs/dbraw/zinc/80/62/31/582806231.db2.gz QVYXQKLUNDWERF-VHSXEESVSA-N 0 0 210.317 2.997 50 0 BFAARN CCN(C)c1ccc(C(=O)N(C)CC2CC2)cc1 ZINC000058354782 520273139 /nfs/dbraw/zinc/27/31/39/520273139.db2.gz BUGBXZDAGHHGIY-UHFFFAOYSA-N 0 0 246.354 2.625 50 0 BFAARN CCC[C@H]1CCCN(C(=O)c2cccc(N)c2)C1 ZINC000178615415 521206708 /nfs/dbraw/zinc/20/67/08/521206708.db2.gz AIQGLKUUFQBFFD-LBPRGKRZSA-N 0 0 246.354 2.921 50 0 BFAARN CCCn1nccc1NC(=O)Cc1cccs1 ZINC000040090630 521674449 /nfs/dbraw/zinc/67/44/49/521674449.db2.gz WKMDKRFVWYGMIU-UHFFFAOYSA-N 0 0 249.339 2.536 50 0 BFAARN CC[C@@H](C)C[C@@H](C)NC(=O)NCc1ccncc1 ZINC000078933101 522015278 /nfs/dbraw/zinc/01/52/78/522015278.db2.gz DOKIXVPNGNBLBC-VXGBXAGGSA-N 0 0 249.358 2.706 50 0 BFAARN CC[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccccc1 ZINC000245226464 522516282 /nfs/dbraw/zinc/51/62/82/522516282.db2.gz YMQQSDJUYGKVDD-WXHSDQCUSA-N 0 0 217.312 2.910 50 0 BFAARN CC[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000239165346 523979716 /nfs/dbraw/zinc/97/97/16/523979716.db2.gz NZTAKZCQLDQXAZ-OUAUKWLOSA-N 0 0 212.337 2.663 50 0 BFAARN COc1ccc(NCCC(=O)c2ccco2)cc1 ZINC000002522084 524677814 /nfs/dbraw/zinc/67/78/14/524677814.db2.gz HDQJYYUCFXPIPN-UHFFFAOYSA-N 0 0 245.278 2.973 50 0 BFAARN C[C@@H](CNc1ccccc1)NC(=O)C1CC=CC1 ZINC000089901391 524755934 /nfs/dbraw/zinc/75/59/34/524755934.db2.gz CWIQERDVCTXMLP-LBPRGKRZSA-N 0 0 244.338 2.569 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000239308975 525478830 /nfs/dbraw/zinc/47/88/30/525478830.db2.gz HCNCEEAFXADKPJ-WISYIIOYSA-N 0 0 223.360 2.973 50 0 BFAARN O=C(OCCCc1ccncc1)[C@H]1CC=CCC1 ZINC000069189318 526417995 /nfs/dbraw/zinc/41/79/95/526417995.db2.gz DCIRSFOGIPZGEH-AWEZNQCLSA-N 0 0 245.322 2.914 50 0 BFAARN Cc1sc(=N)n(C)c1-c1ccc(C)cc1 ZINC000334157439 526866118 /nfs/dbraw/zinc/86/61/18/526866118.db2.gz UIAXZDUCGIGCEQ-UHFFFAOYSA-N 0 0 218.325 2.850 50 0 BFAARN C/C=C/C=C/C(=O)Nc1ccccc1N(C)C ZINC000033121951 527587595 /nfs/dbraw/zinc/58/75/95/527587595.db2.gz HWVCWKSKDBFLMJ-LJIKRCSCSA-N 0 0 230.311 2.823 50 0 BFAARN O=C(NCC1CC1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000058341072 527596919 /nfs/dbraw/zinc/59/69/19/527596919.db2.gz ISCDKVGXFKQCPH-OLZOCXBDSA-N 0 0 249.741 2.970 50 0 BFAARN CC[C@@H](C)N(C(=O)[C@H]1CCCO1)[C@@H](C)CC ZINC000227186812 535540835 /nfs/dbraw/zinc/54/08/35/535540835.db2.gz NUNUDSKUPNYYGR-GRYCIOLGSA-N 0 0 227.348 2.591 50 0 BFAARN COc1ccccc1CN(C(=O)C1CC1)C1CC1 ZINC000055674949 537040730 /nfs/dbraw/zinc/04/07/30/537040730.db2.gz FQVQVCYFSQSNTC-UHFFFAOYSA-N 0 0 245.322 2.596 50 0 BFAARN COC(=O)/C=C(/C)c1ccc(F)cc1C ZINC000757192760 582557271 /nfs/dbraw/zinc/55/72/71/582557271.db2.gz UCGOHAVWWFQYFN-CLFYSBASSA-N 0 0 208.232 2.710 50 0 BFAARN C=CC(=O)Nc1cc2c(cc1Cl)CCC2 ZINC000888098825 583181100 /nfs/dbraw/zinc/18/11/00/583181100.db2.gz SLZNOMHGVLAKQP-UHFFFAOYSA-N 0 0 221.687 2.953 50 0 BFAARN CCC(CC)CN(CC)C(=O)/C=C\c1cn[nH]c1 ZINC000888099612 583181171 /nfs/dbraw/zinc/18/11/71/583181171.db2.gz SKSLEXIEUORQFF-FPLPWBNLSA-N 0 0 249.358 2.708 50 0 BFAARN C=CC(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000888098997 583181190 /nfs/dbraw/zinc/18/11/90/583181190.db2.gz ZIPPHMNLWMRAEF-NSHDSACASA-N 0 0 235.714 2.842 50 0 BFAARN C[C@@H]1CCN(c2nc(C3CC3)no2)[C@@H](C)C1 ZINC000685939598 583207710 /nfs/dbraw/zinc/20/77/10/583207710.db2.gz ZSHIWJNXTUWEIT-BDAKNGLRSA-N 0 0 221.304 2.572 50 0 BFAARN CC(C)c1nn(C)cc1-c1cccc2nccn21 ZINC000904219572 584853135 /nfs/dbraw/zinc/85/31/35/584853135.db2.gz OZDCMICQNGUIHF-UHFFFAOYSA-N 0 0 240.310 2.858 50 0 BFAARN C=CC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000848979183 588422740 /nfs/dbraw/zinc/42/27/40/588422740.db2.gz OLEUHBCQDKULAA-CQSZACIVSA-N 0 0 244.338 2.602 50 0 BFAARN C=CC(=O)NC1(Cc2cccc(Cl)c2)CC1 ZINC000863971120 589330123 /nfs/dbraw/zinc/33/01/23/589330123.db2.gz FZKMWHNIJOXZFR-UHFFFAOYSA-N 0 0 235.714 2.717 50 0 BFAARN C=CC(=O)N1CC2(CCCCC2)[C@H]1C(C)C ZINC000863971039 589330398 /nfs/dbraw/zinc/33/03/98/589330398.db2.gz CBIHEJSXAJCIGN-CYBMUJFWSA-N 0 0 221.344 2.990 50 0 BFAARN C=CC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000863971568 589330774 /nfs/dbraw/zinc/33/07/74/589330774.db2.gz YXVSWUFTVQHGGL-YPMHNXCESA-N 0 0 233.286 2.764 50 0 BFAARN CC(C)(C)n1cc(/C=C/c2nccs2)nn1 ZINC000864087634 589342502 /nfs/dbraw/zinc/34/25/02/589342502.db2.gz UGXFEGYNNYHLBL-SNAWJCMRSA-N 0 0 234.328 2.660 50 0 BFAARN Cc1ccc(C=Cc2n[nH]c(=S)[nH]2)cc1 ZINC000102847096 591174480 /nfs/dbraw/zinc/17/44/80/591174480.db2.gz RXGZUZMDXOMBEX-SREVYHEPSA-N 0 0 217.297 2.946 50 0 BFAARN C=CC(=O)N1CCc2c1cccc2C1CC1 ZINC000888098518 635375400 /nfs/dbraw/zinc/37/54/00/635375400.db2.gz KEMZADHMOZYQLN-UHFFFAOYSA-N 0 0 213.280 2.639 50 0 BFAARN Cc1cc(C)nc(/C=C/NC(=O)c2ccco2)c1 ZINC000002995952 632035475 /nfs/dbraw/zinc/03/54/75/632035475.db2.gz XZTCWXYNBRZCOK-AATRIKPKSA-N 0 0 242.278 2.692 50 0 BFAARN COc1ccc(F)cc1-c1ncnn1C(C)C ZINC000426369360 635695447 /nfs/dbraw/zinc/69/54/47/635695447.db2.gz QHAVEVGCULKJBK-UHFFFAOYSA-N 0 0 235.262 2.674 50 0 BFAARN CCC(=O)c1ccccc1OCCn1ccnc1 ZINC000004842215 635115311 /nfs/dbraw/zinc/11/53/11/635115311.db2.gz OTHQVLLHUXACTD-UHFFFAOYSA-N 0 0 244.294 2.555 50 0 BFAARN CC(=O)Oc1c(C(C)=O)ccc2ccccc21 ZINC000004948008 635168284 /nfs/dbraw/zinc/16/82/84/635168284.db2.gz JCMFEMFOKRPFKG-UHFFFAOYSA-N 0 0 228.247 2.968 50 0 BFAARN c1nc2c[nH]cc(-c3ccc4c(c3)CCN4)c-2n1 ZINC000888095877 635368847 /nfs/dbraw/zinc/36/88/47/635368847.db2.gz JEZVJHGDKDOYGB-UHFFFAOYSA-N 0 0 236.278 2.593 50 0 BFAARN C=CC(=O)N1CC[C@@H](Cc2cccc(Cl)c2)C1 ZINC000888098399 635375659 /nfs/dbraw/zinc/37/56/59/635375659.db2.gz CMMWMULTFPNBRC-LBPRGKRZSA-N 0 0 249.741 2.917 50 0 BFAARN Cc1n[nH]c(C)c1-c1cc(C)c2nccn2c1 ZINC000426370776 635694619 /nfs/dbraw/zinc/69/46/19/635694619.db2.gz ZAVGCMGKNZZWGT-UHFFFAOYSA-N 0 0 226.283 2.650 50 0 BFAARN CCCC/C=C/CNc1ccn(CCOC)n1 ZINC000095981265 636941120 /nfs/dbraw/zinc/94/11/20/636941120.db2.gz LYTVXJLPLHPPFI-VOTSOKGWSA-N 0 0 237.347 2.688 50 0 BFAARN CCCc1cnc(C)nc1-c1cccnc1OC ZINC000426712813 636977925 /nfs/dbraw/zinc/97/79/25/636977925.db2.gz UTKMKDFBQWWVLB-UHFFFAOYSA-N 0 0 243.310 2.808 50 0 BFAARN CCC[C@H](O)c1ccc(-c2cncnc2)cc1 ZINC000032550979 641366765 /nfs/dbraw/zinc/36/67/65/641366765.db2.gz OZHMMMHYGBLSGR-AWEZNQCLSA-N 0 0 228.295 2.977 50 0 BFAARN CCOc1ccc(CCCNC(=O)C(C)C)cc1 ZINC000072119301 642485554 /nfs/dbraw/zinc/48/55/54/642485554.db2.gz PRGYJFLCAONYIF-UHFFFAOYSA-N 0 0 249.354 2.790 50 0 BFAARN CC(=O)Nc1[nH]c(-c2ccccc2)cc1C(C)=O ZINC000000193134 642750499 /nfs/dbraw/zinc/75/04/99/642750499.db2.gz KRDWQHYQKKEUNR-UHFFFAOYSA-N 0 0 242.278 2.843 50 0 BFAARN O=C1c2ccccc2-c2ncnc3cccc1c32 ZINC000000575976 642795489 /nfs/dbraw/zinc/79/54/89/642795489.db2.gz WWXLKPRGAXWHFO-UHFFFAOYSA-N 0 0 232.242 2.841 50 0 BFAARN COP(=O)(Cc1cc(C(C)=O)oc1C)OC ZINC000002942867 643088878 /nfs/dbraw/zinc/08/88/78/643088878.db2.gz BQBXIDXQXNMALB-UHFFFAOYSA-N 0 0 246.199 2.777 50 0 BFAARN Cc1ccc(OC[C@@H](C)NC(=O)C(C)C)cc1C ZINC000072119333 643213599 /nfs/dbraw/zinc/21/35/99/643213599.db2.gz KZGWIPJMOIGLCW-CYBMUJFWSA-N 0 0 249.354 2.843 50 0 BFAARN C1CCN(NC2C3CC4CC(C3)CC2C4)CC1 ZINC000019169030 643297859 /nfs/dbraw/zinc/29/78/59/643297859.db2.gz IPDZGLBNEMNAPY-UHFFFAOYSA-N 0 0 234.387 2.802 50 0 BFAARN C=CC(=O)N1CCC[C@H]1c1ccccc1OC ZINC000199100674 644153770 /nfs/dbraw/zinc/15/37/70/644153770.db2.gz HPQUGEYSDYDSRW-LBPRGKRZSA-N 0 0 231.295 2.545 50 0 BFAARN Cc1cc(F)cc(NC[C@@H]2CCCCO2)n1 ZINC000952992357 644448661 /nfs/dbraw/zinc/44/86/61/644448661.db2.gz KPVJYOJLNRXDCY-NSHDSACASA-N 0 0 224.279 2.510 50 0 BFAARN CC[C@@H](c1ccccn1)N(C)C(=O)c1cc[nH]c1 ZINC000952984546 644448755 /nfs/dbraw/zinc/44/87/55/644448755.db2.gz XPWWEXOMWKIFEO-ZDUSSCGKSA-N 0 0 243.310 2.633 50 0 BFAARN C=CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000037831128 712768858 /nfs/dbraw/zinc/76/88/58/712768858.db2.gz IWHQRAYKFVECER-QJPTWQEYSA-N 0 0 207.317 2.600 50 0 BFAARN C[C@H](CO)SCc1nc(C(C)(C)C)co1 ZINC000724407809 710739125 /nfs/dbraw/zinc/73/91/25/710739125.db2.gz KMUFMMJGRJDCEF-MRVPVSSYSA-N 0 0 229.345 2.586 50 0 BFAARN Cc1cc2n(n1)S[C@@H](Nc1ccccc1C)N2 ZINC000006969284 711766160 /nfs/dbraw/zinc/76/61/60/711766160.db2.gz IXAGUZYMLMKWCO-LBPRGKRZSA-N 0 0 246.339 2.817 50 0 BFAARN COc1ccc(-c2ccc(C=O)nc2)c(OC)c1 ZINC000725345987 711926913 /nfs/dbraw/zinc/92/69/13/711926913.db2.gz HSXWSEFHGFPDMR-UHFFFAOYSA-N 0 0 243.262 2.578 50 0 BFAARN CC(C)c1ccc(O[C@@H]2CC[C@H]2O)cc1 ZINC000704036538 712098706 /nfs/dbraw/zinc/09/87/06/712098706.db2.gz DVJKUILMQLHEOZ-CHWSQXEVSA-N 0 0 206.285 2.712 50 0 BFAARN O=C(C1CCC1)N1CC[C@@H](c2ccsc2)C1 ZINC000675008223 960432432 /nfs/dbraw/zinc/43/24/32/960432432.db2.gz JJIYZTKAWZENHA-LLVKDONJSA-N 0 0 235.352 2.864 50 0 BFAARN C=CC(=O)N1CCC[C@H]1c1ccc(C)s1 ZINC000952888231 974064527 /nfs/dbraw/zinc/06/45/27/974064527.db2.gz PDUIDFUYEFLFQZ-JTQLQIEISA-N 0 0 221.325 2.906 50 0 BFAARN O=c1[nH]c(C2CC(F)(F)C2)nc2ccccc12 ZINC000585086346 972123470 /nfs/dbraw/zinc/12/34/70/972123470.db2.gz GITGDBKTJJSGBH-UHFFFAOYSA-N 0 0 236.221 2.848 50 0 BFAARN CC[C@H](Nc1cc(C)nc(C)n1)c1nc(C)c[nH]1 ZINC000585092453 972130200 /nfs/dbraw/zinc/13/02/00/972130200.db2.gz XRGHEDWTNQUVAG-NSHDSACASA-N 0 0 245.330 2.688 50 0 BFAARN C=CC(=O)NCc1ccnc(-c2ccccc2)c1 ZINC000585124770 972157715 /nfs/dbraw/zinc/15/77/15/972157715.db2.gz RGBFUPXHILZEEB-UHFFFAOYSA-N 0 0 238.290 2.551 50 0 BFAARN CC(C)(C)C(=O)NC1CCC(n2cccn2)CC1 ZINC000675007728 960431504 /nfs/dbraw/zinc/43/15/04/960431504.db2.gz LDXJDRRXWNVVSL-UHFFFAOYSA-N 0 0 249.358 2.529 50 0 BFAARN O=C(c1ccoc1)N1CC[C@@H](c2ccsc2)C1 ZINC000675008188 960432885 /nfs/dbraw/zinc/43/28/85/960432885.db2.gz HJEACWQDLLOCAX-SNVBAGLBSA-N 0 0 247.319 2.971 50 0 BFAARN C1CC1c1nnc(OC2CCCC2)s1 ZINC000585650798 961151281 /nfs/dbraw/zinc/15/12/81/961151281.db2.gz FMMOPTMEIUBWQV-UHFFFAOYSA-N 0 0 210.302 2.737 50 0 BFAARN COc1cc(OC)nc(-c2c(C)cccc2C)n1 ZINC000426623166 962162075 /nfs/dbraw/zinc/16/20/75/962162075.db2.gz FDXRTVMGRZLKEU-UHFFFAOYSA-N 0 0 244.294 2.778 50 0 BFAARN CCn1nccc1-c1nc(C)nc2ccccc21 ZINC000426635476 962168667 /nfs/dbraw/zinc/16/86/67/962168667.db2.gz NOILHDAHPFYNAP-UHFFFAOYSA-N 0 0 238.294 2.822 50 0 BFAARN C[C@H](CCCC(C)(C)O)C[C@H]1OC[C@H](C)O1 ZINC000212524591 963526956 /nfs/dbraw/zinc/52/69/56/963526956.db2.gz AKZXNDJMPSPJQM-WOPDTQHZSA-N 0 0 230.348 2.715 50 0 BFAARN CCCc1nc(N2CCC3(CCCC3)C2)no1 ZINC000823023307 968538735 /nfs/dbraw/zinc/53/87/35/968538735.db2.gz CRKYFZAKMACZFF-UHFFFAOYSA-N 0 0 235.331 2.793 50 0 BFAARN CCc1nc2snc(-c3cn[nH]c3)c2cc1C ZINC000823553633 968549569 /nfs/dbraw/zinc/54/95/69/968549569.db2.gz RJZGCPPSKCCQQF-UHFFFAOYSA-N 0 0 244.323 2.952 50 0 BFAARN CCc1nc(C)n(Cc2ccccc2Cl)n1 ZINC000823560484 968550911 /nfs/dbraw/zinc/55/09/11/968550911.db2.gz PBQHRVAWJSYLKJ-UHFFFAOYSA-N 0 0 235.718 2.851 50 0 BFAARN CC1(C)C(CNC(=O)C[C@@H]2CC2(F)F)C1(C)C ZINC000827801773 968707254 /nfs/dbraw/zinc/70/72/54/968707254.db2.gz FQCJNPHLCTZLBU-MRVPVSSYSA-N 0 0 245.313 2.830 50 0 BFAARN C[C@H](NC(=O)Cc1ccncc1)C1=CCCCC1 ZINC000827989684 968739874 /nfs/dbraw/zinc/73/98/74/968739874.db2.gz USIBYQXXYGKJFY-LBPRGKRZSA-N 0 0 244.338 2.629 50 0 BFAARN Cc1ccc(N[C@@H]2CC[C@H]2O)c(Cl)c1 ZINC000585298742 973912198 /nfs/dbraw/zinc/91/21/98/973912198.db2.gz CHQPLUREDGYDHH-GHMZBOCLSA-N 0 0 211.692 2.584 50 0 BFAARN c1ccc2c(c1)ncnc2O[C@@H]1CCSC1 ZINC000585652767 973920467 /nfs/dbraw/zinc/92/04/67/973920467.db2.gz VWIUJCQDMYZVRU-SECBINFHSA-N 0 0 232.308 2.514 50 0 BFAARN Cc1ccnc(O[C@H]2CCc3ccccc32)n1 ZINC000585652337 973921300 /nfs/dbraw/zinc/92/13/00/973921300.db2.gz XLKQLZJJWQPEFQ-ZDUSSCGKSA-N 0 0 226.279 2.851 50 0 BFAARN Cn1cc2c(n1)-c1[nH]c3ccccc3c1CC2 ZINC000005749002 983862050 /nfs/dbraw/zinc/86/20/50/983862050.db2.gz ZDDUDCITGHMAJK-UHFFFAOYSA-N 0 0 223.279 2.667 50 0 BFAARN FC(F)c1cc(N[C@H]2CC=CCC2)ncn1 ZINC000670893182 987267382 /nfs/dbraw/zinc/26/73/82/987267382.db2.gz UQYHABGOKYHDPL-QMMMGPOBSA-N 0 0 225.242 2.935 50 0 BFAARN Cc1nc(N(C)C[C@H]2CCOC2)ccc1Cl ZINC001506401804 988772567 /nfs/dbraw/zinc/77/25/67/988772567.db2.gz NZMLADFOXDDFFN-SNVBAGLBSA-N 0 0 240.734 2.516 50 0 BFAARN CCCCn1nc(C)cc1NC(=O)c1ccoc1 ZINC001506410966 988781197 /nfs/dbraw/zinc/78/11/97/988781197.db2.gz NAKQVBUVWRUKHJ-UHFFFAOYSA-N 0 0 247.298 2.837 50 0 BFAARN Cc1cc(C)n(C(=O)Nc2ccccc2)n1 ZINC000000390891 177920533 /nfs/dbraw/zinc/92/05/33/177920533.db2.gz WAUWYZFXZGQUNJ-UHFFFAOYSA-N 0 0 215.256 2.580 50 0 BFAARN FC(F)(F)c1ccnn1-c1ccccc1 ZINC000034578690 490106107 /nfs/dbraw/zinc/10/61/07/490106107.db2.gz BLXJKGWWZMVMKJ-UHFFFAOYSA-N 0 0 212.174 2.891 50 0 BFAARN Cc1cc(CNC(=O)CC(C)(C)C)c(C)o1 ZINC000070640328 178011273 /nfs/dbraw/zinc/01/12/73/178011273.db2.gz WTMMWWHUAULDRE-UHFFFAOYSA-N 0 0 223.316 2.949 50 0 BFAARN c1cnn(CCn2ccnc2[C@H]2CC=CCC2)c1 ZINC000071760447 398159557 /nfs/dbraw/zinc/15/95/57/398159557.db2.gz IJNCLIAIPVEGFH-ZDUSSCGKSA-N 0 0 242.326 2.604 50 0 BFAARN Cc1cc(CNC2(c3ccccc3F)CC2)no1 ZINC000095985306 178018517 /nfs/dbraw/zinc/01/85/17/178018517.db2.gz NVERBHYQIGXORZ-UHFFFAOYSA-N 0 0 246.285 2.901 50 0 BFAARN CCCOc1ccc(CNC(=O)C2CC2)c(C)c1 ZINC000170608514 136215871 /nfs/dbraw/zinc/21/58/71/136215871.db2.gz SGPZCCHQYXDHHB-UHFFFAOYSA-N 0 0 247.338 2.810 50 0 BFAARN Cc1cc(CNc2cc(F)ccc2F)no1 ZINC000058337854 178041777 /nfs/dbraw/zinc/04/17/77/178041777.db2.gz OEQZHGQEGVTLCW-UHFFFAOYSA-N 0 0 224.210 2.873 50 0 BFAARN Cc1cc(COC(=O)c2cccnc2)c(C)o1 ZINC000095426622 178048219 /nfs/dbraw/zinc/04/82/19/178048219.db2.gz XAEKYRSDPYJJNV-UHFFFAOYSA-N 0 0 231.251 2.648 50 0 BFAARN Cc1cc(CSc2nccn2C2CC2)no1 ZINC000040485726 178053833 /nfs/dbraw/zinc/05/38/33/178053833.db2.gz QNRCQOXNYYBTBF-UHFFFAOYSA-N 0 0 235.312 2.807 50 0 BFAARN Cc1cc(CSc2nnc(C(C)C)[nH]2)on1 ZINC000014186166 178053844 /nfs/dbraw/zinc/05/38/44/178053844.db2.gz YUKNKSHSXVIPKC-UHFFFAOYSA-N 0 0 238.316 2.517 50 0 BFAARN Cc1cc(Cl)c(N)c(Br)c1 ZINC000036532690 178060915 /nfs/dbraw/zinc/06/09/15/178060915.db2.gz RCJDTZYWSMKAMI-UHFFFAOYSA-N 0 0 220.497 2.993 50 0 BFAARN CCC(CC)C(=O)NCCc1ccc(OC)cc1 ZINC000000453072 168337405 /nfs/dbraw/zinc/33/74/05/168337405.db2.gz GYTJSIXIBAJDJK-UHFFFAOYSA-N 0 0 249.354 2.790 50 0 BFAARN Cc1cc(F)cc(NCc2csnn2)c1 ZINC000085730036 178079836 /nfs/dbraw/zinc/07/98/36/178079836.db2.gz HWCVIXPIQVSTBK-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN CCC(CC)C(=O)Nc1cc(C)ccn1 ZINC000000384124 168339923 /nfs/dbraw/zinc/33/99/23/168339923.db2.gz JHVPNFLVUJCLRW-UHFFFAOYSA-N 0 0 206.289 2.765 50 0 BFAARN Cc1cc(F)ccc1I ZINC000002579150 178088303 /nfs/dbraw/zinc/08/83/03/178088303.db2.gz VWBMDRDQJLUMMS-UHFFFAOYSA-N 0 0 236.027 2.739 50 0 BFAARN Cc1cc(F)ccc1NC(=O)NCC(C)C ZINC000040526612 178088423 /nfs/dbraw/zinc/08/84/23/178088423.db2.gz QWOUCAXQUKGLFR-UHFFFAOYSA-N 0 0 224.279 2.912 50 0 BFAARN O=Cc1cc(Br)nc2ccccc12 ZINC000014982312 398195157 /nfs/dbraw/zinc/19/51/57/398195157.db2.gz LLFVQQKMECYPGQ-UHFFFAOYSA-N 0 0 236.068 2.810 50 0 BFAARN Cc1cc(N)ccc1Oc1cccnc1 ZINC000014630585 178106861 /nfs/dbraw/zinc/10/68/61/178106861.db2.gz UAQLILFDDXPFIB-UHFFFAOYSA-N 0 0 200.241 2.765 50 0 BFAARN Nc1cc(-c2ccccc2)cc(Cl)n1 ZINC000074204279 398201850 /nfs/dbraw/zinc/20/18/50/398201850.db2.gz DEVDQGZCCYZPFV-UHFFFAOYSA-N 0 0 204.660 2.984 50 0 BFAARN CCC(CC)C(=O)N[C@H](COC)c1ccco1 ZINC000193119226 168340525 /nfs/dbraw/zinc/34/05/25/168340525.db2.gz SCPFMGKJIJPMNZ-LLVKDONJSA-N 0 0 239.315 2.520 50 0 BFAARN Cc1cc(NC(=O)CCC2CCCC2)n[nH]1 ZINC000047555474 178128920 /nfs/dbraw/zinc/12/89/20/178128920.db2.gz FLIMBAHPRWJLCP-UHFFFAOYSA-N 0 0 221.304 2.627 50 0 BFAARN CCCCOc1c(F)ccc(O)c1F ZINC000261494355 398208367 /nfs/dbraw/zinc/20/83/67/398208367.db2.gz VQACVLGDBZDLCV-UHFFFAOYSA-N 0 0 202.200 2.849 50 0 BFAARN Cc1cc(NC(=O)N[C@@H]2CCCC[C@H]2C)no1 ZINC000009366091 178140668 /nfs/dbraw/zinc/14/06/68/178140668.db2.gz FRXVSEQDCJXPHV-PSASIEDQSA-N 0 0 237.303 2.683 50 0 BFAARN Cc1cc(NC(=O)Nc2cccc(F)c2)no1 ZINC000000287231 178142281 /nfs/dbraw/zinc/14/22/81/178142281.db2.gz SOJVYPMERXDAED-UHFFFAOYSA-N 0 0 235.218 2.766 50 0 BFAARN Cc1cc(NC(=O)[C@@H](C)c2ccccc2)no1 ZINC000085423499 178143375 /nfs/dbraw/zinc/14/33/75/178143375.db2.gz ZAZINBJTGAGIRT-JTQLQIEISA-N 0 0 230.267 2.725 50 0 BFAARN Cc1cc(NC(=O)c2ccc(F)c(F)c2)ccn1 ZINC000071900262 178150527 /nfs/dbraw/zinc/15/05/27/178150527.db2.gz RJFJRNHGZDQAEC-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN Cc1cc(NC(=O)c2ccc(Cl)cc2)no1 ZINC000000030945 178150601 /nfs/dbraw/zinc/15/06/01/178150601.db2.gz CVDHQYKCNQTJJO-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN Cc1cc(NC(=O)c2ccco2)n(C(C)C)n1 ZINC000011695166 178151883 /nfs/dbraw/zinc/15/18/83/178151883.db2.gz MDPGWMZYBVKYBQ-UHFFFAOYSA-N 0 0 233.271 2.618 50 0 BFAARN Cc1cc(NC(=S)Nc2ccccc2C)n[nH]1 ZINC000005818605 178152512 /nfs/dbraw/zinc/15/25/12/178152512.db2.gz BXHYVKGJRKQKJK-UHFFFAOYSA-N 0 0 246.339 2.835 50 0 BFAARN Cc1cc(NC(C)C)ncc1Br ZINC000042783854 178152981 /nfs/dbraw/zinc/15/29/81/178152981.db2.gz VMYSSTCXDDZVCH-UHFFFAOYSA-N 0 0 229.121 2.973 50 0 BFAARN CC[S@](=O)c1cccc(Br)c1 ZINC000074937761 398210303 /nfs/dbraw/zinc/21/03/03/398210303.db2.gz KTAYYVGVOVUOOL-LLVKDONJSA-N 0 0 233.130 2.577 50 0 BFAARN Cc1csc(CN(C)c2ccccc2CO)n1 ZINC000387011670 398225008 /nfs/dbraw/zinc/22/50/08/398225008.db2.gz BOKIGTIGBWIMBX-UHFFFAOYSA-N 0 0 248.351 2.580 50 0 BFAARN Cc1cc(NC[C@H](C)c2ccccc2)nn1C ZINC000020351660 178168705 /nfs/dbraw/zinc/16/87/05/178168705.db2.gz TYKCTZXRYXXRAG-NSHDSACASA-N 0 0 229.327 2.944 50 0 BFAARN Cc1cc(=S)n2ncc(-c3ccccc3)c2[nH]1 ZINC000006130822 178218064 /nfs/dbraw/zinc/21/80/64/178218064.db2.gz GCMOXOICAPIYPL-UHFFFAOYSA-N 0 0 241.319 2.993 50 0 BFAARN C[C@@H]1CCCCN(Cc2ccccc2)C1=O ZINC000196230755 398235428 /nfs/dbraw/zinc/23/54/28/398235428.db2.gz AWORBBROWYQGKR-GFCCVEGCSA-N 0 0 217.312 2.835 50 0 BFAARN O=C(CC[C@H]1CCCO1)NC1CCCCCC1 ZINC000046121944 398236017 /nfs/dbraw/zinc/23/60/17/398236017.db2.gz MRGGHSVKHJJAJX-CYBMUJFWSA-N 0 0 239.359 2.785 50 0 BFAARN Cc1cc(C)c(NC(=O)C2CC=CC2)cc1CO ZINC000170605710 361795479 /nfs/dbraw/zinc/79/54/79/361795479.db2.gz VOCAVXVPSBTHMD-UHFFFAOYSA-N 0 0 245.322 2.700 50 0 BFAARN CSCc1ccccc1NC(=O)c1cc[nH]n1 ZINC000097115866 398242474 /nfs/dbraw/zinc/24/24/74/398242474.db2.gz VJLKQWLDBAKORF-UHFFFAOYSA-N 0 0 247.323 2.525 50 0 BFAARN Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C1CC1)N2 ZINC000002731996 178300807 /nfs/dbraw/zinc/30/08/07/178300807.db2.gz PQMGALGWECRSJB-IUCAKERBSA-N 0 0 245.248 2.889 50 0 BFAARN Cc1ccc(-c2cc(CCCO)on2)cc1 ZINC000095100055 178320404 /nfs/dbraw/zinc/32/04/04/178320404.db2.gz QKAROQYAMWBNGP-UHFFFAOYSA-N 0 0 217.268 2.575 50 0 BFAARN Cc1ccc(-c2nc(=O)c3sccc3[nH]2)cc1 ZINC000018085427 178337914 /nfs/dbraw/zinc/33/79/14/178337914.db2.gz WMMVFPDZGPLXSU-UHFFFAOYSA-N 0 0 242.303 2.960 50 0 BFAARN Cc1ccc(-c2nc3ncccc3n2O)cc1 ZINC000001396594 178338675 /nfs/dbraw/zinc/33/86/75/178338675.db2.gz BDMFKIVGZDPUNV-UHFFFAOYSA-N 0 0 225.251 2.644 50 0 BFAARN Cc1ccc(-n2nc(-c3ccco3)cc2N)cc1 ZINC000103115152 178344877 /nfs/dbraw/zinc/34/48/77/178344877.db2.gz ZUJVCSQGMKJHRJ-UHFFFAOYSA-N 0 0 239.278 2.853 50 0 BFAARN CC(C)CNC(=O)NCc1ccc(Cl)cc1 ZINC000032862386 259311389 /nfs/dbraw/zinc/31/13/89/259311389.db2.gz AVFFCTMSZMFQGX-UHFFFAOYSA-N 0 0 240.734 2.795 50 0 BFAARN Cc1nn(-c2ccc(C)cc2)c(C)c1C=O ZINC000000333409 178348712 /nfs/dbraw/zinc/34/87/12/178348712.db2.gz RUUBYKOMCHAZSW-UHFFFAOYSA-N 0 0 214.268 2.610 50 0 BFAARN Cc1ccc(/C=C\C(=O)n2cccn2)cc1 ZINC000033456454 178357617 /nfs/dbraw/zinc/35/76/17/178357617.db2.gz XGVMPRUZCIDYMA-FPLPWBNLSA-N 0 0 212.252 2.545 50 0 BFAARN Cc1ccc(-n2nnnc2-c2ccccc2)cc1 ZINC000000257126 178351362 /nfs/dbraw/zinc/35/13/62/178351362.db2.gz XYRLQFRSIYROMT-UHFFFAOYSA-N 0 0 236.278 2.638 50 0 BFAARN Cc1nnc(CC(=O)c2ccc(C)cc2)s1 ZINC000000386687 178374370 /nfs/dbraw/zinc/37/43/70/178374370.db2.gz WHIIUCBIAWHMRH-UHFFFAOYSA-N 0 0 232.308 2.580 50 0 BFAARN Cc1ccc(C(=O)Cc2ccccn2)cc1 ZINC000020427203 178375200 /nfs/dbraw/zinc/37/52/00/178375200.db2.gz GSDQHQGFZHVAPE-UHFFFAOYSA-N 0 0 211.264 2.815 50 0 BFAARN Cc1nc(NC(=O)c2ccccc2F)oc1C ZINC000032902593 538951137 /nfs/dbraw/zinc/95/11/37/538951137.db2.gz GDPCEMLGPKILQZ-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN CSCC(=O)NC1CCCCCCC1 ZINC000033028077 538951159 /nfs/dbraw/zinc/95/11/59/538951159.db2.gz QAIOMKASEPUBIK-UHFFFAOYSA-N 0 0 215.362 2.579 50 0 BFAARN Cc1ccc(C(=O)N2CCCCC2)cc1C ZINC000000030326 178385501 /nfs/dbraw/zinc/38/55/01/178385501.db2.gz OZSZVSREDOZENF-UHFFFAOYSA-N 0 0 217.312 2.930 50 0 BFAARN Cc1ccc(CN(C)C(=O)[C@H]2C[C@@H]2C)c(C)c1 ZINC000032748067 538950490 /nfs/dbraw/zinc/95/04/90/538950490.db2.gz ARDGEESIKJTUTN-JSGCOSHPSA-N 0 0 231.339 2.918 50 0 BFAARN COC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1 ZINC000205907086 538957569 /nfs/dbraw/zinc/95/75/69/538957569.db2.gz FXGFFFIBKZLKIY-UHFFFAOYSA-N 0 0 243.184 2.973 50 0 BFAARN Cc1ccc(C(=O)NCc2sccc2C)o1 ZINC000029237262 178417045 /nfs/dbraw/zinc/41/70/45/178417045.db2.gz VGTGVBGBNDYOHF-UHFFFAOYSA-N 0 0 235.308 2.888 50 0 BFAARN CCC(CC)NC(=O)CCc1ccccc1 ZINC000000031800 168377376 /nfs/dbraw/zinc/37/73/76/168377376.db2.gz NYVIDAFNUAKBFM-UHFFFAOYSA-N 0 0 219.328 2.924 50 0 BFAARN CCOCc1c(C)cc(C)c(C=O)c1C ZINC000002267654 398270949 /nfs/dbraw/zinc/27/09/49/398270949.db2.gz HICNVLAPYMGDKM-UHFFFAOYSA-N 0 0 206.285 2.961 50 0 BFAARN COc1cc(C)cc2oc(=O)c3c(c12)CCCC3 ZINC000000083547 342673532 /nfs/dbraw/zinc/67/35/32/342673532.db2.gz XIFWOTCGKOSXKJ-UHFFFAOYSA-N 0 0 244.290 2.989 50 0 biogenic BFAARN CCOc1ccc(-c2csc(N)n2)cc1 ZINC000000084210 342673563 /nfs/dbraw/zinc/67/35/63/342673563.db2.gz DBVFYWQXVNAKCZ-UHFFFAOYSA-N 0 0 220.297 2.791 50 0 BFAARN O=S(=O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000000086346 342673784 /nfs/dbraw/zinc/67/37/84/342673784.db2.gz PVPZMAOFUOXVHI-UHFFFAOYSA-N 0 0 244.621 2.634 50 0 BFAARN CC(C)c1ccc(NC(=S)NN(C)C)cc1 ZINC000000098272 342674473 /nfs/dbraw/zinc/67/44/73/342674473.db2.gz METKXQLJHNYXNW-UHFFFAOYSA-N 0 0 237.372 2.573 50 0 BFAARN O=C(c1cccc(Cl)c1)N1CCCC1 ZINC000000126087 342676088 /nfs/dbraw/zinc/67/60/88/342676088.db2.gz UALNNNIKSZWNLM-UHFFFAOYSA-N 0 0 209.676 2.576 50 0 BFAARN CCN(CC)C(=O)Nc1ccc(OC)cc1 ZINC000000134158 342676463 /nfs/dbraw/zinc/67/64/63/342676463.db2.gz CBMMXDCCAANWCD-UHFFFAOYSA-N 0 0 222.288 2.569 50 0 BFAARN CCc1c[nH]nc1-c1c(F)cccc1F ZINC000000141272 342676646 /nfs/dbraw/zinc/67/66/46/342676646.db2.gz KTPDJTLGHWSVFU-UHFFFAOYSA-N 0 0 208.211 2.917 50 0 BFAARN NN=c1nc[nH]c2scc(-c3ccccc3)c21 ZINC000000152446 342677370 /nfs/dbraw/zinc/67/73/70/342677370.db2.gz HKYLLTSMUHTLBT-UHFFFAOYSA-N 0 0 242.307 2.644 50 0 BFAARN Cc1cccc(CSc2nnc(N)s2)c1 ZINC000000151316 342677431 /nfs/dbraw/zinc/67/74/31/342677431.db2.gz IGGNLNYRCDYOLB-UHFFFAOYSA-N 0 0 237.353 2.721 50 0 BFAARN O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCCCC1 ZINC000000185979 342679386 /nfs/dbraw/zinc/67/93/86/342679386.db2.gz BYCDPTRUPKGZOX-ZIAGYGMSSA-N 0 0 229.323 2.803 50 0 BFAARN Cn1c2ccccc2nc1C(F)(F)F ZINC000000196688 342679743 /nfs/dbraw/zinc/67/97/43/342679743.db2.gz YKKYRNSRLGCTDO-UHFFFAOYSA-N 0 0 200.163 2.592 50 0 BFAARN Cc1cc(C)n(-c2ccc3cccc(O)c3n2)n1 ZINC000000190729 342679903 /nfs/dbraw/zinc/67/99/03/342679903.db2.gz AFJJCCZETFFOJM-UHFFFAOYSA-N 0 0 239.278 2.743 50 0 BFAARN Cc1cc(C)n2nc(-c3ccc(F)cc3)nc2n1 ZINC000000205493 342680185 /nfs/dbraw/zinc/68/01/85/342680185.db2.gz FCVQQTYBCRGHNI-UHFFFAOYSA-N 0 0 242.257 2.547 50 0 BFAARN CCC(CC)NC(=O)Cc1noc2ccccc12 ZINC000014158616 168378734 /nfs/dbraw/zinc/37/87/34/168378734.db2.gz MQESZNSHPQRANB-UHFFFAOYSA-N 0 0 246.310 2.675 50 0 BFAARN Nc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000000233199 342680887 /nfs/dbraw/zinc/68/08/87/342680887.db2.gz QNOVVPGTGKFAED-UHFFFAOYSA-N 0 0 221.263 2.879 50 0 BFAARN Cc1ccc(O)c(CCc2ccccc2)n1 ZINC000000251343 342681276 /nfs/dbraw/zinc/68/12/76/342681276.db2.gz XQUQTPFCPUQDGI-UHFFFAOYSA-N 0 0 213.280 2.881 50 0 BFAARN Clc1ccc(N2CCCCCC2)nn1 ZINC000000271967 342681770 /nfs/dbraw/zinc/68/17/70/342681770.db2.gz SKNNHMTWELIESA-UHFFFAOYSA-N 0 0 211.696 2.510 50 0 BFAARN CCCn1c2ccccc2nc1NC(=O)CC ZINC000000274846 342681806 /nfs/dbraw/zinc/68/18/06/342681806.db2.gz KFQGOQCGYCFOQG-UHFFFAOYSA-N 0 0 231.299 2.795 50 0 BFAARN Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000000276192 342682030 /nfs/dbraw/zinc/68/20/30/342682030.db2.gz ULKFNJBNISYXTB-SNVBAGLBSA-N 0 0 230.336 2.998 50 0 aggregator BFAARN O=C(COC(=O)c1ccccc1)c1ccccc1 ZINC000000285469 342682281 /nfs/dbraw/zinc/68/22/81/342682281.db2.gz YDZANNORUSYHFB-UHFFFAOYSA-N 0 0 240.258 2.726 50 0 BFAARN Clc1ncnc2sc3c(c21)CCC3 ZINC000000289846 342682407 /nfs/dbraw/zinc/68/24/07/342682407.db2.gz JKXJMJPJOYMQSK-UHFFFAOYSA-N 0 0 210.689 2.833 50 0 BFAARN CCC(=O)NC(=S)Nc1cc(C)ccc1C ZINC000000341959 342684070 /nfs/dbraw/zinc/68/40/70/342684070.db2.gz IAUIIUFYVFJQAL-UHFFFAOYSA-N 0 0 236.340 2.526 50 0 BFAARN CC(=O)Nc1ccc(NC(C)=O)c(C(C)(C)C)c1 ZINC000000345693 342684281 /nfs/dbraw/zinc/68/42/81/342684281.db2.gz KDNBBARCBHWGTI-UHFFFAOYSA-N 0 0 248.326 2.901 50 0 BFAARN CC(=O)Nc1cc2ccccc2cc1NC(C)=O ZINC000000345462 342684394 /nfs/dbraw/zinc/68/43/94/342684394.db2.gz LSHZJVPFDGODCQ-UHFFFAOYSA-N 0 0 242.278 2.757 50 0 BFAARN Cn1c2ccccc2nc1NCc1ccco1 ZINC000000350255 342684569 /nfs/dbraw/zinc/68/45/69/342684569.db2.gz UBNUCQQDFYUHQK-UHFFFAOYSA-N 0 0 227.267 2.778 50 0 BFAARN C[C@@H](CCc1ccccc1)NC(=O)C1CC1 ZINC000000375594 342685365 /nfs/dbraw/zinc/68/53/65/342685365.db2.gz PFQYHRVJCPCDJG-NSHDSACASA-N 0 0 217.312 2.534 50 0 BFAARN Clc1cc(NCc2ccccc2)ncn1 ZINC000000390263 342685814 /nfs/dbraw/zinc/68/58/14/342685814.db2.gz XARFPUIPIOPYGA-UHFFFAOYSA-N 0 0 219.675 2.742 50 0 BFAARN O=C(c1ccc(Cl)cc1)c1cccnc1 ZINC000000394834 342686058 /nfs/dbraw/zinc/68/60/58/342686058.db2.gz VZWGUDFNQIAHEY-UHFFFAOYSA-N 0 0 217.655 2.966 50 0 BFAARN C[C@H](NC(=O)c1ccncc1)c1ccccc1F ZINC000036624217 538960629 /nfs/dbraw/zinc/96/06/29/538960629.db2.gz IWRAJZGNAGPOOU-JTQLQIEISA-N 0 0 244.269 2.712 50 0 BFAARN CCc1nc(NC(=O)c2ccco2)sc1C ZINC000040118955 259315894 /nfs/dbraw/zinc/31/58/94/259315894.db2.gz VCRGBFIDMZEAGZ-UHFFFAOYSA-N 0 0 236.296 2.859 50 0 BFAARN O=c1c(-c2ccccc2)cncn1-c1ccccc1 ZINC000000405530 342687014 /nfs/dbraw/zinc/68/70/14/342687014.db2.gz XJTBWAXJGQMYGR-UHFFFAOYSA-N 0 0 248.285 2.900 50 0 BFAARN CC(=O)CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000449387 342687644 /nfs/dbraw/zinc/68/76/44/342687644.db2.gz GYNIUNAMMNVZCZ-UHFFFAOYSA-N 0 0 246.093 2.911 50 0 BFAARN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C(=O)CCC2 ZINC000000481822 342688605 /nfs/dbraw/zinc/68/86/05/342688605.db2.gz VLBIITJVZKIBAL-UWVGGRQHSA-N 0 0 239.315 2.508 50 0 BFAARN C[C@@](O)(c1ccccc1)[C@](C)(O)c1ccccc1 ZINC000000042831 342671025 /nfs/dbraw/zinc/67/10/25/342671025.db2.gz URPRLFISKOCZHR-HZPDHXFCSA-N 0 0 242.318 2.802 50 0 BFAARN COc1cc(-c2ccc(N)c(OC)c2)ccc1N ZINC000000056395 342671973 /nfs/dbraw/zinc/67/19/73/342671973.db2.gz JRBJSXQPQWSCCF-UHFFFAOYSA-N 0 0 244.294 2.535 50 0 in-vitro BFAARN Nc1nc(Nc2ccccc2)nc2ccccc12 ZINC000000572969 342690411 /nfs/dbraw/zinc/69/04/11/342690411.db2.gz OEBBWBXOACRBRL-UHFFFAOYSA-N 0 0 236.278 2.956 50 0 BFAARN CC(C)(C)NC(=O)COc1ccc(Cl)cc1 ZINC000000585049 342690777 /nfs/dbraw/zinc/69/07/77/342690777.db2.gz SGPYEVWBIONAKC-UHFFFAOYSA-N 0 0 241.718 2.634 50 0 BFAARN CCOc1ccc(C(=O)c2ccncc2)cc1 ZINC000000614707 342690935 /nfs/dbraw/zinc/69/09/35/342690935.db2.gz RXAJQAWCYNWNGK-UHFFFAOYSA-N 0 0 227.263 2.711 50 0 BFAARN CCCCCS(=O)(=O)c1ccc(C)cc1 ZINC000002173124 342691278 /nfs/dbraw/zinc/69/12/78/342691278.db2.gz KOAQLWGJWXORRX-UHFFFAOYSA-N 0 0 226.341 2.959 50 0 BFAARN CCOc1ccccc1C(=O)N[C@H](C)CC ZINC000000972012 342695249 /nfs/dbraw/zinc/69/52/49/342695249.db2.gz ZZKWSCIRPRYHCE-SNVBAGLBSA-N 0 0 221.300 2.614 50 0 BFAARN CSc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000000987789 342695283 /nfs/dbraw/zinc/69/52/83/342695283.db2.gz WBHDGAJKTITYKJ-UHFFFAOYSA-N 0 0 226.688 2.711 50 0 BFAARN CSc1ccccc1NC(=O)c1cc(C)on1 ZINC000001056681 342696503 /nfs/dbraw/zinc/69/65/03/342696503.db2.gz HSUMTEXRZRJVAY-UHFFFAOYSA-N 0 0 248.307 2.957 50 0 BFAARN Cc1cc(=O)c2cc(Cl)cc(F)c2[nH]1 ZINC000037507577 538963346 /nfs/dbraw/zinc/96/33/46/538963346.db2.gz IJSDCGCWEYFLNH-UHFFFAOYSA-N 0 0 211.623 2.629 50 0 BFAARN COc1c(Cl)cc(Cl)cc1C=O ZINC000001512522 342702143 /nfs/dbraw/zinc/70/21/43/342702143.db2.gz OYKSTJSVNQYCRE-UHFFFAOYSA-N 0 0 205.040 2.815 50 0 BFAARN Cc1ccc(Nc2cc(Cl)nc(N)n2)cc1 ZINC000001675993 342708237 /nfs/dbraw/zinc/70/82/37/342708237.db2.gz KAUBSLPJWJEOKU-UHFFFAOYSA-N 0 0 234.690 2.764 50 0 BFAARN Nc1cc2[nH]ccc2c(Br)c1 ZINC000002383975 342719498 /nfs/dbraw/zinc/71/94/98/342719498.db2.gz HVFXXSXTSLTPRS-UHFFFAOYSA-N 0 0 211.062 2.513 50 0 BFAARN O=C(CCCOc1ccccc1)NC1CCCC1 ZINC000001779416 342712483 /nfs/dbraw/zinc/71/24/83/342712483.db2.gz SXMRAVWFAFMYQG-UHFFFAOYSA-N 0 0 247.338 2.904 50 0 BFAARN CCCCCCSc1nnc(N)s1 ZINC000001791480 342712654 /nfs/dbraw/zinc/71/26/54/342712654.db2.gz NSOOBCMKNXDQHP-UHFFFAOYSA-N 0 0 217.363 2.793 50 0 BFAARN C=CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000004029092 342740929 /nfs/dbraw/zinc/74/09/29/342740929.db2.gz PSGCQDPCAWOCSH-OUJBWJOFSA-N 0 0 208.301 2.930 50 0 BFAARN CCCCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000004038895 342741489 /nfs/dbraw/zinc/74/14/89/342741489.db2.gz WZFDPEKYVKCKHJ-UHFFFAOYSA-N 0 0 235.283 2.587 50 0 BFAARN Clc1cccc(Cl)c1OC[C@H]1CO1 ZINC000004200179 342743790 /nfs/dbraw/zinc/74/37/90/342743790.db2.gz VOYMDUMUZXIMNN-ZCFIWIBFSA-N 0 0 219.067 2.771 50 0 BFAARN CCOc1ccc2c(c1)c(C=O)c(C)n2C ZINC000004384208 342747478 /nfs/dbraw/zinc/74/74/78/342747478.db2.gz XXSHTSRDVQADFE-UHFFFAOYSA-N 0 0 217.268 2.698 50 0 BFAARN Cc1ccc2nsnc2c1NC(=O)C(C)(C)C ZINC000004487026 342748316 /nfs/dbraw/zinc/74/83/16/342748316.db2.gz JAMPXRFTGUQYND-UHFFFAOYSA-N 0 0 249.339 2.984 50 0 BFAARN CCOc1ccc(-c2n[nH]c(=S)n2C)cc1 ZINC000002481658 342721215 /nfs/dbraw/zinc/72/12/15/342721215.db2.gz LZFBQLLJKSXZST-UHFFFAOYSA-N 0 0 235.312 2.543 50 0 BFAARN O=C(c1ccccc1CN1CCC1)C1CCC1 ZINC000002515643 342722276 /nfs/dbraw/zinc/72/22/76/342722276.db2.gz AINMJRQJGWQVTK-UHFFFAOYSA-N 0 0 229.323 2.875 50 0 BFAARN CC(C)(C)c1cc(N)n(-c2ccccc2F)n1 ZINC000002527264 342722698 /nfs/dbraw/zinc/72/26/98/342722698.db2.gz SIUZCLHYTJLOSG-UHFFFAOYSA-N 0 0 233.290 2.891 50 0 BFAARN Nc1ccc(N2CCCC2)c(C(F)(F)F)c1 ZINC000002529159 342722940 /nfs/dbraw/zinc/72/29/40/342722940.db2.gz VAAASCUUHAHDMZ-UHFFFAOYSA-N 0 0 230.233 2.888 50 0 BFAARN Nc1nc(-c2ccc3c(c2)OCCCO3)cs1 ZINC000002577942 342725229 /nfs/dbraw/zinc/72/52/29/342725229.db2.gz ATRBJXZCQKLIBW-UHFFFAOYSA-N 0 0 248.307 2.554 50 0 BFAARN CC(=O)c1ccc(C)c(Br)c1 ZINC000002583727 342725774 /nfs/dbraw/zinc/72/57/74/342725774.db2.gz PDJLFESXPVLVMR-UHFFFAOYSA-N 0 0 213.074 2.960 50 0 BFAARN Cc1cc(C=O)cc(C)c1OC(F)F ZINC000002656564 342726434 /nfs/dbraw/zinc/72/64/34/342726434.db2.gz IBHMZDWYOXJTLT-UHFFFAOYSA-N 0 0 200.184 2.717 50 0 BFAARN Cc1c(Cl)cccc1NC(=O)c1ccnn1C ZINC000002741560 342726774 /nfs/dbraw/zinc/72/67/74/342726774.db2.gz UMFYPGOYXJXJQV-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN COC(=O)c1oc2cc(C)ccc2c1C ZINC000002705479 342726823 /nfs/dbraw/zinc/72/68/23/342726823.db2.gz VZCKVTKAEPSBIS-UHFFFAOYSA-N 0 0 204.225 2.836 50 0 BFAARN CCCc1ccc(OCCNC(=O)CC)cc1 ZINC000002839687 342727368 /nfs/dbraw/zinc/72/73/68/342727368.db2.gz ZWWUOXRZGGSEDU-UHFFFAOYSA-N 0 0 235.327 2.544 50 0 BFAARN CC(=O)NC1CCC(c2ccccc2)CC1 ZINC000002882053 342727620 /nfs/dbraw/zinc/72/76/20/342727620.db2.gz PUAUANKRLKSDGX-UHFFFAOYSA-N 0 0 217.312 2.849 50 0 BFAARN Cc1ccc(NC(=O)CCC(=O)OC(C)C)cc1 ZINC000002991501 342729148 /nfs/dbraw/zinc/72/91/48/342729148.db2.gz GXTOTSJTIXGUDA-UHFFFAOYSA-N 0 0 249.310 2.665 50 0 BFAARN COC(=O)c1cnc(Cl)c2ccccc12 ZINC000003041690 342730111 /nfs/dbraw/zinc/73/01/11/342730111.db2.gz YTJDBMFLRYQTPT-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN Cc1ccc(C(=O)N[C@H](C)c2ccccn2)cc1 ZINC000012527878 178431183 /nfs/dbraw/zinc/43/11/83/178431183.db2.gz GNLDFHGQJKMUSC-GFCCVEGCSA-N 0 0 240.306 2.881 50 0 BFAARN CCOc1ccc(C(=O)c2ccccn2)cc1 ZINC000003623667 342735338 /nfs/dbraw/zinc/73/53/38/342735338.db2.gz PNYIMMUCLUTXQE-UHFFFAOYSA-N 0 0 227.263 2.711 50 0 BFAARN CCOc1ccc(-c2cc(N)on2)cc1OCC ZINC000003704635 342736649 /nfs/dbraw/zinc/73/66/49/342736649.db2.gz HQBBWDLMICKBSH-UHFFFAOYSA-N 0 0 248.282 2.721 50 0 BFAARN Nc1cc(-c2ccc(Br)cc2)no1 ZINC000003715875 342736974 /nfs/dbraw/zinc/73/69/74/342736974.db2.gz RKWRDXQHQYRFCX-UHFFFAOYSA-N 0 0 239.072 2.686 50 0 BFAARN Nc1n[nH]c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000003723218 342737180 /nfs/dbraw/zinc/73/71/80/342737180.db2.gz WKRAFFFBIATERY-UHFFFAOYSA-N 0 0 236.278 2.721 50 0 BFAARN FC(F)Oc1ccc2[nH]c(=S)[nH]c2c1 ZINC000003882895 342738896 /nfs/dbraw/zinc/73/88/96/342738896.db2.gz HJMVPNAZPFZXCP-UHFFFAOYSA-N 0 0 216.212 2.827 50 0 in-vitro BFAARN Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000003888629 342739060 /nfs/dbraw/zinc/73/90/60/342739060.db2.gz UTLBANDCGLMTCE-UHFFFAOYSA-N 0 0 216.309 2.881 50 0 BFAARN Nc1c(-c2ccccc2)nc2sccn12 ZINC000003888285 342739233 /nfs/dbraw/zinc/73/92/33/342739233.db2.gz PBWGCNFJKNQDGV-UHFFFAOYSA-N 0 0 215.281 2.645 50 0 BFAARN Clc1cc(Cl)c2c(c1)COCO2 ZINC000004792313 342752327 /nfs/dbraw/zinc/75/23/27/342752327.db2.gz ZJFGGKYLGUUMPU-UHFFFAOYSA-N 0 0 205.040 2.860 50 0 BFAARN O=[S@@]1CCCS[C@@H]1c1ccccc1 ZINC000004800547 342752332 /nfs/dbraw/zinc/75/23/32/342752332.db2.gz JLNVOXAMHSCFHV-GWCFXTLKSA-N 0 0 212.339 2.571 50 0 BFAARN O=[S@@]1CCCS[C@H]1c1ccccc1 ZINC000004800545 342752433 /nfs/dbraw/zinc/75/24/33/342752433.db2.gz JLNVOXAMHSCFHV-MFKMUULPSA-N 0 0 212.339 2.571 50 0 BFAARN CCOc1ccc(-c2noc(CC)n2)cc1OC ZINC000004821170 342752799 /nfs/dbraw/zinc/75/27/99/342752799.db2.gz YATMQOGQXWCMRY-UHFFFAOYSA-N 0 0 248.282 2.706 50 0 BFAARN Cc1cc(C)nc(Sc2ccc(C=O)o2)n1 ZINC000004840274 342752992 /nfs/dbraw/zinc/75/29/92/342752992.db2.gz YBLHCWFVRGMHIZ-UHFFFAOYSA-N 0 0 234.280 2.650 50 0 BFAARN Clc1cccc(CN2CCSCC2)c1 ZINC000004978245 342755329 /nfs/dbraw/zinc/75/53/29/342755329.db2.gz ZCTCUBBVDCJFKH-UHFFFAOYSA-N 0 0 227.760 2.889 50 0 BFAARN CCOc1ccc(C=O)cc1CN1CCCCC1 ZINC000004992707 342755944 /nfs/dbraw/zinc/75/59/44/342755944.db2.gz WOEHFCUOOYMGNF-UHFFFAOYSA-N 0 0 247.338 2.884 50 0 BFAARN Cc1nc(C(=O)OCC(C)(C)C)cs1 ZINC000170621295 361891735 /nfs/dbraw/zinc/89/17/35/361891735.db2.gz NPCWPYCPEDFTJM-UHFFFAOYSA-N 0 0 213.302 2.654 50 0 BFAARN CCOc1ccc(C)nc1Br ZINC000005041162 342756829 /nfs/dbraw/zinc/75/68/29/342756829.db2.gz PGOTYFSQFOHPMW-UHFFFAOYSA-N 0 0 216.078 2.551 50 0 BFAARN CCC(CC)NC(=O)c1cccc(C)c1 ZINC000004599076 168386302 /nfs/dbraw/zinc/38/63/02/168386302.db2.gz CAPZMAODCXVPMP-UHFFFAOYSA-N 0 0 205.301 2.913 50 0 BFAARN Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C)C2)cn1 ZINC000032029741 178433615 /nfs/dbraw/zinc/43/36/15/178433615.db2.gz ZDQMHYYPXBUFPZ-MFKMUULPSA-N 0 0 232.327 2.699 50 0 BFAARN Nc1ccc(Cl)cc1-c1n[nH]c(C2CCC2)n1 ZINC000170614826 361877692 /nfs/dbraw/zinc/87/76/92/361877692.db2.gz IBIAWDICSMESKT-UHFFFAOYSA-N 0 0 248.717 2.975 50 0 BFAARN Cc1ccc(C(=O)N[C@H]2CCCc3occc32)o1 ZINC000084195080 178433700 /nfs/dbraw/zinc/43/37/00/178433700.db2.gz AYRFWVCSEKGKIM-NSHDSACASA-N 0 0 245.278 2.988 50 0 BFAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000005384778 342763030 /nfs/dbraw/zinc/76/30/30/342763030.db2.gz KPKRIBMJTQXTPD-ZDUSSCGKSA-N 0 0 233.311 2.928 50 0 BFAARN CN1C(=S)N=NC1c1cc2ccccc2o1 ZINC000005521268 342765559 /nfs/dbraw/zinc/76/55/59/342765559.db2.gz ZQKYOQNEFBJNDZ-UHFFFAOYSA-N 0 0 231.280 2.517 50 0 BFAARN Oc1csc(Nc2ccc3ccccc3c2)n1 ZINC000005553099 342765818 /nfs/dbraw/zinc/76/58/18/342765818.db2.gz OHXAADDPGLWMGZ-UHFFFAOYSA-N 0 0 242.303 2.881 50 0 BFAARN CCCC[C@@H](CC)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000005591036 342766661 /nfs/dbraw/zinc/76/66/61/342766661.db2.gz MVHPIEABOOAVTC-FRRDWIJNSA-N 0 0 241.375 2.839 50 0 BFAARN CCCC[C@H](CC)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000005591101 342766700 /nfs/dbraw/zinc/76/67/00/342766700.db2.gz MVHPIEABOOAVTC-UPJWGTAASA-N 0 0 241.375 2.839 50 0 BFAARN Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000005593688 342766707 /nfs/dbraw/zinc/76/67/07/342766707.db2.gz NEWWXWMKZVSLFT-UHFFFAOYSA-N 0 0 209.252 2.812 50 0 BFAARN CC(C)(C)c1cc(O)cc(=O)n1-c1ccccc1 ZINC000006493049 342778597 /nfs/dbraw/zinc/77/85/97/342778597.db2.gz SNBQVFYHNUYCKI-UHFFFAOYSA-N 0 0 243.306 2.841 50 0 BFAARN Nc1ccccc1NC(=O)Nc1ccccc1 ZINC000006392997 342777247 /nfs/dbraw/zinc/77/72/47/342777247.db2.gz SNAKVLZLSFROSL-UHFFFAOYSA-N 0 0 227.267 2.913 50 0 BFAARN O=C(CCSc1ccccc1)N1CCCC1 ZINC000006597927 342779769 /nfs/dbraw/zinc/77/97/69/342779769.db2.gz HBARXHJNGNDQAS-UHFFFAOYSA-N 0 0 235.352 2.791 50 0 BFAARN CC(C)(C)C(=O)Nc1cc(Cl)ccn1 ZINC000006643279 342780238 /nfs/dbraw/zinc/78/02/38/342780238.db2.gz HDLIWEMWMDOCHM-UHFFFAOYSA-N 0 0 212.680 2.720 50 0 BFAARN CCC(CC)NS(=O)(=O)CC1CCCCC1 ZINC000072230348 168389578 /nfs/dbraw/zinc/38/95/78/168389578.db2.gz SZCGVLWIOVPDBJ-UHFFFAOYSA-N 0 0 247.404 2.675 50 0 BFAARN COc1ccc(CN(C)C(=O)c2ccco2)cc1 ZINC000006697092 342780934 /nfs/dbraw/zinc/78/09/34/342780934.db2.gz JBNXAXACYOMYDN-UHFFFAOYSA-N 0 0 245.278 2.560 50 0 BFAARN CCCCS(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000006706523 342781355 /nfs/dbraw/zinc/78/13/55/342781355.db2.gz MPZSGAGJXVFOLV-UHFFFAOYSA-N 0 0 241.356 2.845 50 0 BFAARN CC(=O)NCc1csc(-c2ccc(C)cc2)n1 ZINC000006730013 342781773 /nfs/dbraw/zinc/78/17/73/342781773.db2.gz SQLOITBMQHZYLT-UHFFFAOYSA-N 0 0 246.335 2.755 50 0 BFAARN CCCCCC(=O)Nc1cccc(N)c1 ZINC000008703407 342802762 /nfs/dbraw/zinc/80/27/62/342802762.db2.gz XPCCFWSCQQDMIB-UHFFFAOYSA-N 0 0 206.289 2.788 50 0 BFAARN CCOc1ccc(Br)c(C)n1 ZINC000006870263 342785249 /nfs/dbraw/zinc/78/52/49/342785249.db2.gz GEBGDYWVDOXQAE-UHFFFAOYSA-N 0 0 216.078 2.551 50 0 BFAARN Cc1ccc(C(=O)Nc2ccccc2)cc1N ZINC000020194894 178438154 /nfs/dbraw/zinc/43/81/54/178438154.db2.gz DGILUAOMQWZUKA-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN Cc1cnc(NC(=O)c2ccccc2F)s1 ZINC000003190693 342789034 /nfs/dbraw/zinc/78/90/34/342789034.db2.gz QRJKNILKQIBARO-UHFFFAOYSA-N 0 0 236.271 2.843 50 0 BFAARN CC(C)[C@@H](Nc1cnn(C)c1)c1ccc(F)cn1 ZINC000097378982 342793621 /nfs/dbraw/zinc/79/36/21/342793621.db2.gz PLPSIMUXQGNMTF-CYBMUJFWSA-N 0 0 248.305 2.763 50 0 BFAARN Cc1cc(C)cc(O[C@H](C)C(=O)NC(C)C)c1 ZINC000008041511 342795682 /nfs/dbraw/zinc/79/56/82/342795682.db2.gz YDNOLHQAHFTSBY-GFCCVEGCSA-N 0 0 235.327 2.595 50 0 BFAARN CCc1ccc(C(=O)NC2CCCC2)cc1 ZINC000008383023 342798688 /nfs/dbraw/zinc/79/86/88/342798688.db2.gz CMOAQQQAAXXXDG-UHFFFAOYSA-N 0 0 217.312 2.921 50 0 BFAARN O=C([O-])c1cccc(C[NH+]2CCCCCC2)c1 ZINC000009260199 342811605 /nfs/dbraw/zinc/81/16/05/342811605.db2.gz QBXMVVPNPBTXLH-UHFFFAOYSA-N 0 0 233.311 2.761 50 0 BFAARN C[C@H]1c2ccccc2O[C@H]1C(=O)N1CCCCC1 ZINC000040584940 538972498 /nfs/dbraw/zinc/97/24/98/538972498.db2.gz SOPJKQLPXWGEQG-SMDDNHRTSA-N 0 0 245.322 2.564 50 0 BFAARN CC(=O)Nc1nc2cc(C)ccc2s1 ZINC000009028475 342807390 /nfs/dbraw/zinc/80/73/90/342807390.db2.gz QDBLIUWHWYHVSB-UHFFFAOYSA-N 0 0 206.270 2.563 50 0 BFAARN Cc1ccc(C(=S)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000017971296 178448458 /nfs/dbraw/zinc/44/84/58/178448458.db2.gz DFDNXZXUIMJVLF-TXEJJXNPSA-N 0 0 249.379 2.780 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCc2ccccc21 ZINC000249337118 361963254 /nfs/dbraw/zinc/96/32/54/361963254.db2.gz QZVGYNJPPGFSHV-HONMWMINSA-N 0 0 229.323 2.836 50 0 BFAARN CC1CCN(Cc2nnc(C(C)(C)C)o2)CC1 ZINC000046837884 538997402 /nfs/dbraw/zinc/99/74/02/538997402.db2.gz RLQLHDXWBWYYDK-UHFFFAOYSA-N 0 0 237.347 2.599 50 0 BFAARN O=C([O-])c1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000010436521 342836307 /nfs/dbraw/zinc/83/63/07/342836307.db2.gz NMZAPQKBSIJTLM-UHFFFAOYSA-N 0 0 233.311 2.807 50 0 BFAARN O=C([O-])c1ccccc1C[NH2+]C1CCCCC1 ZINC000010436522 342836394 /nfs/dbraw/zinc/83/63/94/342836394.db2.gz KVFMPRDAODYNRH-UHFFFAOYSA-N 0 0 233.311 2.807 50 0 BFAARN CCN(C(=O)c1cccc(N)c1)c1ccccc1 ZINC000011757655 342843287 /nfs/dbraw/zinc/84/32/87/342843287.db2.gz OCIBKKXEWNLBOJ-UHFFFAOYSA-N 0 0 240.306 2.936 50 0 BFAARN Cc1ccc([C@H](O)C(F)(F)F)cc1C ZINC000042268179 361976605 /nfs/dbraw/zinc/97/66/05/361976605.db2.gz DDTZKGMNCORHBB-VIFPVBQESA-N 0 0 204.191 2.899 50 0 BFAARN CC(C)CC(=O)Nc1cc(C(C)(C)C)on1 ZINC000012382097 342850639 /nfs/dbraw/zinc/85/06/39/342850639.db2.gz CYLQQURAFBBRJH-UHFFFAOYSA-N 0 0 224.304 2.957 50 0 BFAARN C[C@H](NC(=O)Cc1ccccc1F)C(C)(C)C ZINC000012381102 342850862 /nfs/dbraw/zinc/85/08/62/342850862.db2.gz NFHLGJBDPKSWKG-JTQLQIEISA-N 0 0 237.318 2.919 50 0 BFAARN Nc1ccc(OCC(F)F)c(Cl)c1 ZINC000012395508 342851045 /nfs/dbraw/zinc/85/10/45/342851045.db2.gz GBJMFEWPRHZXOW-UHFFFAOYSA-N 0 0 207.607 2.566 50 0 BFAARN CC(C)c1ccc(/C=C2/SC(=N)NC2=O)cc1 ZINC000012416568 342851898 /nfs/dbraw/zinc/85/18/98/342851898.db2.gz PKVSFJZQPVKQPQ-YRNVUSSQSA-N 0 0 246.335 2.949 50 0 BFAARN C[C@H](Nc1ncnc2nc[nH]c21)c1cccs1 ZINC000032577785 342852434 /nfs/dbraw/zinc/85/24/34/342852434.db2.gz LLMQJUAJYXRRNT-ZETCQYMHSA-N 0 0 245.311 2.588 50 0 BFAARN Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000012505775 342852912 /nfs/dbraw/zinc/85/29/12/342852912.db2.gz HVSCSXQMDYDCSA-UHFFFAOYSA-N 0 0 226.251 2.594 50 0 BFAARN CC(C)(C)C(=O)COC(=O)c1ccccc1F ZINC000012505520 342852936 /nfs/dbraw/zinc/85/29/36/342852936.db2.gz UJYJQOOOUWLZPW-UHFFFAOYSA-N 0 0 238.258 2.598 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1N1CCCC1 ZINC000032678855 342861047 /nfs/dbraw/zinc/86/10/47/342861047.db2.gz MHRBMOUCOGEZLR-NEPJUHHUSA-N 0 0 244.338 2.881 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)Nc1ccccc1N1CCCC1 ZINC000032678856 342861068 /nfs/dbraw/zinc/86/10/68/342861068.db2.gz MHRBMOUCOGEZLR-RYUDHWBXSA-N 0 0 244.338 2.881 50 0 BFAARN Cc1ccccc1CC(=O)N(C)C1CCCC1 ZINC000012926419 342861464 /nfs/dbraw/zinc/86/14/64/342861464.db2.gz LSHPRTIQUCMDDQ-UHFFFAOYSA-N 0 0 231.339 2.939 50 0 BFAARN CC(C)CC[C@H](C)NC(=O)c1ccncc1 ZINC000012972726 342862286 /nfs/dbraw/zinc/86/22/86/342862286.db2.gz OPWBEUKDHLLDNE-NSHDSACASA-N 0 0 220.316 2.636 50 0 BFAARN CC[C@@H](C)NC(=O)c1cc2ccccc2[nH]1 ZINC000012978853 342862615 /nfs/dbraw/zinc/86/26/15/342862615.db2.gz DVKREIJNRGKYFQ-SECBINFHSA-N 0 0 216.284 2.696 50 0 BFAARN Clc1ccc(Nc2nc[nH]n2)c(Cl)c1 ZINC000013545367 342867668 /nfs/dbraw/zinc/86/76/68/342867668.db2.gz MMBZIKRWEQGQBH-UHFFFAOYSA-N 0 0 229.070 2.855 50 0 BFAARN Nc1ccc2cc(Br)ccc2n1 ZINC000013584273 342868188 /nfs/dbraw/zinc/86/81/88/342868188.db2.gz GSKICCPQEZRQEC-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN CC[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C)ccc1C ZINC000013710106 342870698 /nfs/dbraw/zinc/87/06/98/342870698.db2.gz DIKWMGQSLHGBDL-CHWSQXEVSA-N 0 0 249.354 2.985 50 0 BFAARN CCc1ccc(C(=O)Nc2ccon2)s1 ZINC000013745834 342871218 /nfs/dbraw/zinc/87/12/18/342871218.db2.gz NYJRLHWRQODXNA-UHFFFAOYSA-N 0 0 222.269 2.551 50 0 BFAARN CC(C)(C)c1cc(N)n(Cc2ccccc2)n1 ZINC000015589961 342898702 /nfs/dbraw/zinc/89/87/02/342898702.db2.gz HOUXXJHKQHEAJO-UHFFFAOYSA-N 0 0 229.327 2.811 50 0 BFAARN Nc1cc(F)ccc1Oc1cccnc1 ZINC000014629976 342882840 /nfs/dbraw/zinc/88/28/40/342882840.db2.gz MHJLPCRMORFLNR-UHFFFAOYSA-N 0 0 204.204 2.595 50 0 BFAARN COC(=O)C1(c2ccccc2)CCCC1 ZINC000015014932 342890694 /nfs/dbraw/zinc/89/06/94/342890694.db2.gz GIBVXUDPIGVGMR-UHFFFAOYSA-N 0 0 204.269 2.671 50 0 BFAARN O=C1CCCc2c(Br)cccc21 ZINC000015021492 342890876 /nfs/dbraw/zinc/89/08/76/342890876.db2.gz DMXOUYZZHVHEQR-UHFFFAOYSA-N 0 0 225.085 2.968 50 0 in-vitro BFAARN c1ccc2c(c1)CC[NH+](Cc1cccnc1)CC2 ZINC000071909400 398322847 /nfs/dbraw/zinc/32/28/47/398322847.db2.gz WQFHBEJMRNZOJG-UHFFFAOYSA-N 0 0 238.334 2.682 50 0 BFAARN CC[C@H]([NH2+]Cc1ccnn1C)c1ccccc1F ZINC000163467498 398323206 /nfs/dbraw/zinc/32/32/06/398323206.db2.gz NTNSGOQFDFWURW-AWEZNQCLSA-N 0 0 247.317 2.800 50 0 BFAARN Cc1ccc(NC(=O)Cc2ccccc2F)nc1 ZINC000016603217 342913409 /nfs/dbraw/zinc/91/34/09/342913409.db2.gz DCGJJCXCCYEFKR-UHFFFAOYSA-N 0 0 244.269 2.710 50 0 BFAARN CCCCC1CCC(c2nc(N)n[nH]2)CC1 ZINC000010151855 342925428 /nfs/dbraw/zinc/92/54/28/342925428.db2.gz SVODTQLYKIZMKG-UHFFFAOYSA-N 0 0 222.336 2.851 50 0 BFAARN O=c1[nH]c2ccccc2nc1-c1ccccc1 ZINC000017945129 342929494 /nfs/dbraw/zinc/92/94/94/342929494.db2.gz ZBBQSGVRBQKLLE-UHFFFAOYSA-N 0 0 222.247 2.590 50 0 BFAARN CCC(CC)[S@@](=O)Cc1ccn(C(C)C)n1 ZINC000095418331 168409507 /nfs/dbraw/zinc/40/95/07/168409507.db2.gz WWQIDMNTJRSOFT-MRXNPFEDSA-N 0 0 242.388 2.901 50 0 BFAARN CSCC(=O)Nc1cccc(Cl)c1 ZINC000042163200 398330641 /nfs/dbraw/zinc/33/06/41/398330641.db2.gz COISGIISLYOHPR-UHFFFAOYSA-N 0 0 215.705 2.642 50 0 BFAARN Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000019232079 342944392 /nfs/dbraw/zinc/94/43/92/342944392.db2.gz DAUJDMVOVJWMKW-UHFFFAOYSA-N 0 0 235.674 2.850 50 0 BFAARN Cc1cccc(COc2ccccc2C(N)=O)c1 ZINC000005189954 398343633 /nfs/dbraw/zinc/34/36/33/398343633.db2.gz QAYYOVNTROMZDM-UHFFFAOYSA-N 0 0 241.290 2.673 50 0 BFAARN Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000019255858 342944718 /nfs/dbraw/zinc/94/47/18/342944718.db2.gz NTRUKPPSBDQENE-UHFFFAOYSA-N 0 0 230.242 2.660 50 0 BFAARN CCSCC[C@H](C)NC(=O)N1CC[C@H](C)C1 ZINC000084812072 398344202 /nfs/dbraw/zinc/34/42/02/398344202.db2.gz KTNAGOSFCMDXCH-QWRGUYRKSA-N 0 0 244.404 2.570 50 0 BFAARN O=C1CCN(Cc2ccccc2Cl)CC1 ZINC000019471919 342949012 /nfs/dbraw/zinc/94/90/12/342949012.db2.gz KFEWRNNUYYDFIO-UHFFFAOYSA-N 0 0 223.703 2.505 50 0 BFAARN CCCC(=O)Nc1ccccc1C(C)=O ZINC000019505024 342949977 /nfs/dbraw/zinc/94/99/77/342949977.db2.gz UWGPWWILADADDI-UHFFFAOYSA-N 0 0 205.257 2.628 50 0 BFAARN CCOc1cc(C)nc(-c2csc(C)n2)n1 ZINC000012369782 346895964 /nfs/dbraw/zinc/89/59/64/346895964.db2.gz AIEXTRNCGODBQF-UHFFFAOYSA-N 0 0 235.312 2.616 50 0 BFAARN Clc1cccc(Cl)c1CN1CCOCC1 ZINC000019634403 342952764 /nfs/dbraw/zinc/95/27/64/342952764.db2.gz MUOVEEIXKXOODD-UHFFFAOYSA-N 0 0 246.137 2.826 50 0 BFAARN CC(C)c1ccc(-c2noc([C@H](C)N)n2)cc1 ZINC000019785457 342957451 /nfs/dbraw/zinc/95/74/51/342957451.db2.gz KVLHGMLYZICNNW-VIFPVBQESA-N 0 0 231.299 2.880 50 0 BFAARN Cn1nc(-c2ccccc2)c2c1CCCC2=O ZINC000020153926 342972075 /nfs/dbraw/zinc/97/20/75/342972075.db2.gz QAYWIJJROFFVHN-UHFFFAOYSA-N 0 0 226.279 2.606 50 0 BFAARN CCNc1cccc(Br)c1 ZINC000019941900 342963964 /nfs/dbraw/zinc/96/39/64/342963964.db2.gz KBCJPWUCWTXJEW-UHFFFAOYSA-N 0 0 200.079 2.881 50 0 BFAARN Fc1ccc(NCc2cccnc2)c(F)c1 ZINC000019951810 342964285 /nfs/dbraw/zinc/96/42/85/342964285.db2.gz LDRSQLVXBAGLIR-UHFFFAOYSA-N 0 0 220.222 2.972 50 0 BFAARN CC(C)[C@H](C)Nc1ccc2c(c1)OCO2 ZINC000019966285 342965271 /nfs/dbraw/zinc/96/52/71/342965271.db2.gz SWKNPSKEVOKLAM-VIFPVBQESA-N 0 0 207.273 2.872 50 0 BFAARN Cc1ccc(NC(=O)CCn2cccn2)cc1C ZINC000020602934 342992145 /nfs/dbraw/zinc/99/21/45/342992145.db2.gz KRJSBFJHRWCTNK-UHFFFAOYSA-N 0 0 243.310 2.529 50 0 BFAARN CC(C)(C)OC(=O)NC[C@H]1CNc2ccccc21 ZINC000020281967 342980380 /nfs/dbraw/zinc/98/03/80/342980380.db2.gz ZYDGETNTBBDROM-SNVBAGLBSA-N 0 0 248.326 2.720 50 0 BFAARN COC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000020297738 342981260 /nfs/dbraw/zinc/98/12/60/342981260.db2.gz UUYHBNHYMBWOGF-UHFFFAOYSA-N 0 0 222.284 2.670 50 0 BFAARN CC(C)C(=O)Nc1cc(N)ccc1Cl ZINC000020342995 342982361 /nfs/dbraw/zinc/98/23/61/342982361.db2.gz VRNJJWXCVZTKHX-UHFFFAOYSA-N 0 0 212.680 2.517 50 0 BFAARN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC ZINC000020456157 342985878 /nfs/dbraw/zinc/98/58/78/342985878.db2.gz AABOVXIFPVNSCK-SNVBAGLBSA-N 0 0 243.759 2.957 50 0 BFAARN Nc1cc(Cl)c(F)cc1Br ZINC000021300420 343009245 /nfs/dbraw/zinc/00/92/45/343009245.db2.gz QNKQNJJCNWUOHC-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN Nc1cccc(Oc2ccc(Cl)nn2)c1 ZINC000021303446 343009280 /nfs/dbraw/zinc/00/92/80/343009280.db2.gz SRZDKTAYKBHIIJ-UHFFFAOYSA-N 0 0 221.647 2.505 50 0 BFAARN CCOc1cccc(C(=O)CSC)c1 ZINC000087334187 259341975 /nfs/dbraw/zinc/34/19/75/259341975.db2.gz MJJMXOBOSDTJGA-UHFFFAOYSA-N 0 0 210.298 2.631 50 0 BFAARN CCCC(=O)Nc1ccc(F)c(F)c1F ZINC000012843526 346916242 /nfs/dbraw/zinc/91/62/42/346916242.db2.gz FQYDCQBJVRSRMG-UHFFFAOYSA-N 0 0 217.190 2.843 50 0 BFAARN COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000022204251 343044359 /nfs/dbraw/zinc/04/43/59/343044359.db2.gz QRSGTDBJDBYJHW-VHSXEESVSA-N 0 0 210.660 2.617 50 0 BFAARN COC(=O)[C@@H]1CCCCN1Cc1ccccc1C ZINC000048251546 343045783 /nfs/dbraw/zinc/04/57/83/343045783.db2.gz BAEPSUXSKFEFRB-AWEZNQCLSA-N 0 0 247.338 2.523 50 0 BFAARN Cc1ccc(C)c(OCC(=O)NC(C)(C)C)c1 ZINC000004313736 178486887 /nfs/dbraw/zinc/48/68/87/178486887.db2.gz SXQSZCSIJYUEJX-UHFFFAOYSA-N 0 0 235.327 2.597 50 0 BFAARN O=C(NC(C1CC1)C1CC1)c1ccccc1F ZINC000022534262 343051166 /nfs/dbraw/zinc/05/11/66/343051166.db2.gz UXOGAPOKBBFHQH-UHFFFAOYSA-N 0 0 233.286 2.744 50 0 BFAARN Cc1[nH]c2ccccc2c1CC(=O)N1CCCC1 ZINC000024538662 343073304 /nfs/dbraw/zinc/07/33/04/343073304.db2.gz OPTCLAXBSKKVND-UHFFFAOYSA-N 0 0 242.322 2.641 50 0 BFAARN CC(=O)c1cc(C)cc(Br)c1O ZINC000024863239 343079032 /nfs/dbraw/zinc/07/90/32/343079032.db2.gz ARARNHPPXNXRPT-UHFFFAOYSA-N 0 0 229.073 2.666 50 0 BFAARN Fc1cc2ncnc(Cl)c2cc1F ZINC000026897385 343110591 /nfs/dbraw/zinc/11/05/91/343110591.db2.gz RFMNNDWGWANMMJ-UHFFFAOYSA-N 0 0 200.575 2.561 50 0 BFAARN Clc1nccc(Nc2ccccc2)n1 ZINC000026898639 343110756 /nfs/dbraw/zinc/11/07/56/343110756.db2.gz YUNXWKOIMBXKRF-UHFFFAOYSA-N 0 0 205.648 2.874 50 0 BFAARN CCN(CC)C(=O)Cc1c[nH]c2ccccc12 ZINC000027474652 343117585 /nfs/dbraw/zinc/11/75/85/343117585.db2.gz DXPLLGZJUUEICH-UHFFFAOYSA-N 0 0 230.311 2.579 50 0 BFAARN CCC(O)(CC)CSc1ccccn1 ZINC000096494486 168425073 /nfs/dbraw/zinc/42/50/73/168425073.db2.gz QKOWVHFYCBQSNZ-UHFFFAOYSA-N 0 0 211.330 2.725 50 0 BFAARN C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccncc1 ZINC000027406082 343116982 /nfs/dbraw/zinc/11/69/82/343116982.db2.gz IHNZUSOBQPPTOA-NWDGAFQWSA-N 0 0 230.311 2.615 50 0 BFAARN CCOC(=O)/C=C/c1csc(-c2ccco2)n1 ZINC000072290062 343147929 /nfs/dbraw/zinc/14/79/29/343147929.db2.gz XHFYLPZYRMKVMB-AATRIKPKSA-N 0 0 249.291 2.979 50 0 BFAARN Cc1ccc(C)c([C@@H](O)c2cccnc2)c1 ZINC000040248381 178498894 /nfs/dbraw/zinc/49/88/94/178498894.db2.gz RFRKJZZSLYVMLZ-AWEZNQCLSA-N 0 0 213.280 2.780 50 0 BFAARN CCOc1ccc(OCC)c(NC(=O)C2CC2)c1 ZINC000043544792 343136229 /nfs/dbraw/zinc/13/62/29/343136229.db2.gz PFUJDPSGVKZNIF-UHFFFAOYSA-N 0 0 249.310 2.833 50 0 BFAARN Cc1ccc(CN(C)C(=O)c2ccco2)cc1 ZINC000030755813 343197524 /nfs/dbraw/zinc/19/75/24/343197524.db2.gz MSGVXTXIVLRNMJ-UHFFFAOYSA-N 0 0 229.279 2.860 50 0 BFAARN COC(=O)NC1(c2ccccc2)CCCC1 ZINC000030947813 343213596 /nfs/dbraw/zinc/21/35/96/343213596.db2.gz CPJZKUDZQBHFDX-UHFFFAOYSA-N 0 0 219.284 2.812 50 0 BFAARN Cc1ccc(C)c([C@H](O)C(F)(F)F)c1 ZINC000008324316 178502884 /nfs/dbraw/zinc/50/28/84/178502884.db2.gz SCYMTVOTDWIOSX-VIFPVBQESA-N 0 0 204.191 2.899 50 0 BFAARN CNc1ccc(C)c(Br)c1 ZINC000032009875 343227571 /nfs/dbraw/zinc/22/75/71/343227571.db2.gz YVTBJPSYZFZYIZ-UHFFFAOYSA-N 0 0 200.079 2.799 50 0 BFAARN COc1cc(-c2cccc3cccnc32)ncn1 ZINC000032587241 343238242 /nfs/dbraw/zinc/23/82/42/343238242.db2.gz UBGSMBHWUYPCIE-UHFFFAOYSA-N 0 0 237.262 2.700 50 0 BFAARN CSc1ccccc1-c1ncnc2[nH]cnc21 ZINC000032597624 343238702 /nfs/dbraw/zinc/23/87/02/343238702.db2.gz PVVDEBAJQMQEAF-UHFFFAOYSA-N 0 0 242.307 2.742 50 0 BFAARN Cc1ccc(NC(=O)OCC(F)(F)F)nc1 ZINC000032628825 343238970 /nfs/dbraw/zinc/23/89/70/343238970.db2.gz BLQZJTUASUHFDQ-UHFFFAOYSA-N 0 0 234.177 2.501 50 0 BFAARN O=C(CCc1ccco1)N1CCCCCC1 ZINC000032819991 343242506 /nfs/dbraw/zinc/24/25/06/343242506.db2.gz XMEFIGXEELSCOP-UHFFFAOYSA-N 0 0 221.300 2.615 50 0 BFAARN CC(C)n1ncc2c1nc(Cl)nc2Cl ZINC000033359129 343252271 /nfs/dbraw/zinc/25/22/71/343252271.db2.gz SHTPXXJWYCEZPN-UHFFFAOYSA-N 0 0 231.086 2.714 50 0 BFAARN CC(C)(C)c1ncc(Br)cn1 ZINC000034080656 343264403 /nfs/dbraw/zinc/26/44/03/343264403.db2.gz FAAQGONYZKWBKC-UHFFFAOYSA-N 0 0 215.094 2.537 50 0 BFAARN CCCc1nc2cc(C(=O)OC)cc(C)c2[nH]1 ZINC000034279246 343267435 /nfs/dbraw/zinc/26/74/35/343267435.db2.gz DEFDQXCQBZEOGY-UHFFFAOYSA-N 0 0 232.283 2.610 50 0 BFAARN CCOc1ccc(Br)cc1F ZINC000034308181 343268126 /nfs/dbraw/zinc/26/81/26/343268126.db2.gz ZMTIHOQUIPYSQK-UHFFFAOYSA-N 0 0 219.053 2.987 50 0 BFAARN Cc1onc2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000196793 343268842 /nfs/dbraw/zinc/26/88/42/343268842.db2.gz NTRHZKGBEZEVMN-NSHDSACASA-N 0 0 227.263 2.896 50 0 BFAARN Cc1ccc(OCCn2ccnc2)cc1C ZINC000000433222 343269908 /nfs/dbraw/zinc/26/99/08/343269908.db2.gz LYGKFUZSRFSKDK-UHFFFAOYSA-N 0 0 216.284 2.579 50 0 BFAARN C[C@@H]1CN=C(Nc2cccc(Cl)c2)O1 ZINC000004867512 343273628 /nfs/dbraw/zinc/27/36/28/343273628.db2.gz KEOCDTVZPUSMRH-SSDOTTSWSA-N 0 0 210.664 2.527 50 0 BFAARN CC(=O)Nc1ccccc1[C@@H](O)c1ccccc1 ZINC000034515208 343273871 /nfs/dbraw/zinc/27/38/71/343273871.db2.gz HZEGZGIYWZMCQN-HNNXBMFYSA-N 0 0 241.290 2.727 50 0 BFAARN O=C1CCC(OCc2ccccc2)CC1 ZINC000034590289 343275587 /nfs/dbraw/zinc/27/55/87/343275587.db2.gz FFGVIYUANJAFJS-UHFFFAOYSA-N 0 0 204.269 2.715 50 0 in-vitro BFAARN O=c1cc(C(F)(F)F)c2cc(F)ccc2[nH]1 ZINC000036405633 343318275 /nfs/dbraw/zinc/31/82/75/343318275.db2.gz WUFRBOSKPZUGIS-UHFFFAOYSA-N 0 0 231.148 2.686 50 0 BFAARN Fc1ccc(-c2nnc3ccc(Cl)nn32)cc1 ZINC000036903736 343327265 /nfs/dbraw/zinc/32/72/65/343327265.db2.gz XUXPGXZBMMPANM-UHFFFAOYSA-N 0 0 248.648 2.584 50 0 BFAARN C[C@H](Cc1ccccc1F)C(=O)N1CCCC1 ZINC000036172721 343311749 /nfs/dbraw/zinc/31/17/49/343311749.db2.gz JXBAOMXOWZYGRZ-LLVKDONJSA-N 0 0 235.302 2.627 50 0 BFAARN Nc1cc(C(F)(F)F)c2ccccc2n1 ZINC000038283844 343373385 /nfs/dbraw/zinc/37/33/85/343373385.db2.gz UNRQZWDGGRFKTL-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN O=C1CN(Cc2ccccc2)Cc2ccccc21 ZINC000038337485 343373856 /nfs/dbraw/zinc/37/38/56/343373856.db2.gz XMROQWKQZGYVRT-UHFFFAOYSA-N 0 0 237.302 2.885 50 0 BFAARN Cc1ccc(CC(=O)N2CCCCCC2)cc1 ZINC000006478888 178516321 /nfs/dbraw/zinc/51/63/21/178516321.db2.gz ABMDREMPYHAQIQ-UHFFFAOYSA-N 0 0 231.339 2.940 50 0 BFAARN CC(C)(C)NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000013496738 343375602 /nfs/dbraw/zinc/37/56/02/343375602.db2.gz NJVDWUWIDOYPJX-UHFFFAOYSA-N 0 0 243.310 2.605 50 0 BFAARN Clc1ccc2ncc(Br)n2c1 ZINC000038537077 343376498 /nfs/dbraw/zinc/37/64/98/343376498.db2.gz LIBKDAUSMLPFBF-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN Nc1ccc(OC(F)(F)F)c2ncccc12 ZINC000038537194 343376599 /nfs/dbraw/zinc/37/65/99/343376599.db2.gz KIXOFTNLLDXSQN-UHFFFAOYSA-N 0 0 228.173 2.716 50 0 BFAARN FC(F)(F)c1nc2ccc(Cl)nc2[nH]1 ZINC000038540623 343376941 /nfs/dbraw/zinc/37/69/41/343376941.db2.gz JIFFIOLNCXHOHH-UHFFFAOYSA-N 0 0 221.569 2.630 50 0 BFAARN Cc1nnc(Sc2ccc(N)c(C)c2)s1 ZINC000037668779 343350740 /nfs/dbraw/zinc/35/07/40/343350740.db2.gz UYUYJANOKTWTKB-UHFFFAOYSA-N 0 0 237.353 2.888 50 0 BFAARN Nc1ccc(Br)c2ccncc12 ZINC000039119718 343385468 /nfs/dbraw/zinc/38/54/68/343385468.db2.gz BTFXYVXBWMRHIB-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN COC(=O)c1cnccc1-c1ccccc1 ZINC000039235581 343387071 /nfs/dbraw/zinc/38/70/71/343387071.db2.gz VOXLHHIYDOQDQU-UHFFFAOYSA-N 0 0 213.236 2.535 50 0 BFAARN CCOC(=O)C1=Cc2ccccc2CC1 ZINC000039256527 343387763 /nfs/dbraw/zinc/38/77/63/343387763.db2.gz DLWBMIPICBZTCL-UHFFFAOYSA-N 0 0 202.253 2.579 50 0 BFAARN COC(=O)c1cccc(Oc2ccccc2)n1 ZINC000039328409 343389047 /nfs/dbraw/zinc/38/90/47/343389047.db2.gz UYCJBIXAXDWOTK-UHFFFAOYSA-N 0 0 229.235 2.661 50 0 BFAARN Cc1ccc(CC(=O)Nc2cccc(C)n2)cc1 ZINC000000465715 178523131 /nfs/dbraw/zinc/52/31/31/178523131.db2.gz NNEZNNTWTRUGQP-UHFFFAOYSA-N 0 0 240.306 2.880 50 0 BFAARN COC(=O)c1ccnc(Oc2ccccc2)c1 ZINC000040448008 343403763 /nfs/dbraw/zinc/40/37/63/343403763.db2.gz XDGLXHYDTMTQDV-UHFFFAOYSA-N 0 0 229.235 2.661 50 0 BFAARN CN(CC1CCCCC1)C(=O)C1CCC1 ZINC000040493730 343405521 /nfs/dbraw/zinc/40/55/21/343405521.db2.gz IENCQOBTABUSCP-UHFFFAOYSA-N 0 0 209.333 2.825 50 0 BFAARN CCCCN(C)C(=O)c1cn2cc(C)ccc2n1 ZINC000097939121 343409293 /nfs/dbraw/zinc/40/92/93/343409293.db2.gz ULWBFPKPRUCFKF-UHFFFAOYSA-N 0 0 245.326 2.515 50 0 BFAARN CCc1nc2sc(C)cc2c(N(C)C)n1 ZINC000041090640 343415673 /nfs/dbraw/zinc/41/56/73/343415673.db2.gz CQBDBNHQDLRHSB-UHFFFAOYSA-N 0 0 221.329 2.628 50 0 BFAARN Nc1ccc(-c2cc(F)cc(F)c2)cn1 ZINC000041214475 343417354 /nfs/dbraw/zinc/41/73/54/343417354.db2.gz PGNMGBYVHYFYBX-UHFFFAOYSA-N 0 0 206.195 2.609 50 0 BFAARN C[C@@H](CCO)c1ccc(Br)cc1 ZINC000041250801 343417878 /nfs/dbraw/zinc/41/78/78/343417878.db2.gz SZZYXAIXWPKHOB-QMMMGPOBSA-N 0 0 229.117 2.935 50 0 BFAARN Nc1cc(C(F)(F)F)nn1-c1ccc(F)cc1 ZINC000041291940 343418188 /nfs/dbraw/zinc/41/81/88/343418188.db2.gz WBTLTMKEBLEGOU-UHFFFAOYSA-N 0 0 245.179 2.612 50 0 BFAARN O=C1CCCOc2cc3c(cc21)CCCC3 ZINC000042417462 343437091 /nfs/dbraw/zinc/43/70/91/343437091.db2.gz LEJNFCIXJPWKIU-UHFFFAOYSA-N 0 0 216.280 2.921 50 0 BFAARN CC(C)c1cc(C(=O)N2CCCCCC2)no1 ZINC000013363739 362222515 /nfs/dbraw/zinc/22/25/15/362222515.db2.gz PYUGHYQVVBUUJQ-UHFFFAOYSA-N 0 0 236.315 2.814 50 0 BFAARN O=c1[nH]cc(-c2ccc(Cl)cc2)s1 ZINC000042784450 343453854 /nfs/dbraw/zinc/45/38/54/343453854.db2.gz DEVLIYWCGXQTMM-UHFFFAOYSA-N 0 0 211.673 2.757 50 0 BFAARN CC(=O)Cc1ccc(Br)cc1F ZINC000043502027 343475777 /nfs/dbraw/zinc/47/57/77/343475777.db2.gz XUGKKLBNVNYKSX-UHFFFAOYSA-N 0 0 231.064 2.720 50 0 BFAARN C[C@@H](CNC(=O)C(C)(C)C)c1ccccc1 ZINC000043700782 343481485 /nfs/dbraw/zinc/48/14/85/343481485.db2.gz RDAVLXLHEHATML-NSHDSACASA-N 0 0 219.328 2.952 50 0 BFAARN CCc1ccc(C2=CSC3=NCCN23)cc1 ZINC000000509238 346942665 /nfs/dbraw/zinc/94/26/65/346942665.db2.gz CRRGGHOSEGZRAM-UHFFFAOYSA-N 0 0 230.336 2.966 50 0 BFAARN Cc1ccc(C(=O)c2ccccn2)cc1C ZINC000043210504 343465799 /nfs/dbraw/zinc/46/57/99/343465799.db2.gz NETHQVWMLWXEMM-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN Cc1c(F)cccc1NCc1csnn1 ZINC000043320075 343467491 /nfs/dbraw/zinc/46/74/91/343467491.db2.gz OXHCYEXOQWZNRO-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN Nc1n[nH]c2cc(OCc3ccccc3)ccc12 ZINC000044699944 343512127 /nfs/dbraw/zinc/51/21/27/343512127.db2.gz ROHXXLOQNTULLE-UHFFFAOYSA-N 0 0 239.278 2.724 50 0 BFAARN Clc1ccc2c(Br)c[nH]c2n1 ZINC000044712805 343512754 /nfs/dbraw/zinc/51/27/54/343512754.db2.gz RGRPIZFOVAXYRU-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Cc1n[nH]c(C)c1CC(=O)Nc1ccc(C)cc1 ZINC000044803142 343514933 /nfs/dbraw/zinc/51/49/33/343514933.db2.gz BFCVSLZYKCCHGZ-UHFFFAOYSA-N 0 0 243.310 2.516 50 0 BFAARN Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)no1 ZINC000044866134 343517916 /nfs/dbraw/zinc/51/79/16/343517916.db2.gz BIVJWXGHSUFZKL-SECBINFHSA-N 0 0 242.278 2.574 50 0 BFAARN Cc1ccc(C(=O)c2ccc(F)c(F)c2)nc1 ZINC000045028568 343521498 /nfs/dbraw/zinc/52/14/98/343521498.db2.gz HUEMIRCIONQBOB-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CCc1n[nH]c2ccc(Br)cc21 ZINC000045166760 343524894 /nfs/dbraw/zinc/52/48/94/343524894.db2.gz ULRBCMBSTWUHPK-UHFFFAOYSA-N 0 0 225.089 2.888 50 0 BFAARN Cc1cccc(-c2nc3ccccn3c2N)c1 ZINC000045796044 343534557 /nfs/dbraw/zinc/53/45/57/343534557.db2.gz WYTDBVDITGKMIG-UHFFFAOYSA-N 0 0 223.279 2.892 50 0 BFAARN COC[C@H](C)CNc1nc2ccccc2o1 ZINC000044477341 343502294 /nfs/dbraw/zinc/50/22/94/343502294.db2.gz XDNUHARCKYAFOZ-SECBINFHSA-N 0 0 220.272 2.522 50 0 BFAARN C(=C\c1ccncn1)\c1cnn(-c2ccccc2)c1 ZINC000255396214 343590485 /nfs/dbraw/zinc/59/04/85/343590485.db2.gz XFVZBJAPCQJYSJ-SREVYHEPSA-N 0 0 248.289 2.833 50 0 BFAARN O=c1[nH]c(C=Cc2ccco2)nc2ccccc12 ZINC000013570080 343578797 /nfs/dbraw/zinc/57/87/97/343578797.db2.gz FTAMMLQOOPFMCF-BQYQJAHWSA-N 0 0 238.246 2.687 50 0 BFAARN Cc1ccc(OCC(=O)NCCC(C)C)cc1 ZINC000049535266 343601308 /nfs/dbraw/zinc/60/13/08/343601308.db2.gz FLQZZSPQAMSPEI-UHFFFAOYSA-N 0 0 235.327 2.536 50 0 BFAARN Cc1ccc(NC(=O)Cc2ccsc2)c(O)c1 ZINC000033028966 343610654 /nfs/dbraw/zinc/61/06/54/343610654.db2.gz QJHAMQOKKIRFSH-UHFFFAOYSA-N 0 0 247.319 2.943 50 0 BFAARN ClC(Cl)(Cl)c1nc(CC2CC2)no1 ZINC000526056100 259366530 /nfs/dbraw/zinc/36/65/30/259366530.db2.gz USAXIUIOFFXSKG-UHFFFAOYSA-N 0 0 241.505 2.849 50 0 BFAARN Cc1ccc2c(c1)NC(=O)[C@@]2(Cl)C(F)(F)F ZINC000004615867 343636808 /nfs/dbraw/zinc/63/68/08/343636808.db2.gz OGVXHZOIJMMJRD-SECBINFHSA-N 0 0 249.619 2.944 50 0 BFAARN CCNC(=O)N1CCC(c2cccs2)CC1 ZINC000077103552 343666854 /nfs/dbraw/zinc/66/68/54/343666854.db2.gz GRBNNWQBYROARZ-UHFFFAOYSA-N 0 0 238.356 2.657 50 0 BFAARN CCC(=O)C1=C(O)CC[C@@H](C(C)(C)C)C1 ZINC000043651712 343696568 /nfs/dbraw/zinc/69/65/68/343696568.db2.gz UUOALHMQTJPKOY-NXEZZACHSA-N 0 0 210.317 2.997 50 0 BFAARN CC[C@@H](S[C@H](C)C(N)=O)c1ccccc1 ZINC000096433447 343738486 /nfs/dbraw/zinc/73/84/86/343738486.db2.gz SPKWWCUKZDHUEG-MWLCHTKSSA-N 0 0 223.341 2.745 50 0 BFAARN Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000000548983 347000856 /nfs/dbraw/zinc/00/08/56/347000856.db2.gz ZAPYEBHYIXCJPF-UHFFFAOYSA-N 0 0 242.303 2.662 50 0 BFAARN Cc1cc(C(=O)N[C@@H]2CC[C@@H](F)C2)c(C)o1 ZINC000334515025 343890749 /nfs/dbraw/zinc/89/07/49/343890749.db2.gz DANZOXLFZVOYRZ-NXEZZACHSA-N 0 0 225.263 2.517 50 0 BFAARN C[C@H](c1ccccc1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC000249687537 362253427 /nfs/dbraw/zinc/25/34/27/362253427.db2.gz SAGUQTRUDGVERG-NQBHXWOUSA-N 0 0 217.312 2.862 50 0 BFAARN CC(C)C(=O)Nc1ccccc1N1CCCC1 ZINC000000569803 347026260 /nfs/dbraw/zinc/02/62/60/347026260.db2.gz JHJKTQNJNBBJEI-UHFFFAOYSA-N 0 0 232.327 2.881 50 0 BFAARN Cc1cc2cccnc2c(N[C@@H]2CCOC2)c1 ZINC000097231591 344102384 /nfs/dbraw/zinc/10/23/84/344102384.db2.gz NIORUXYDTGAIDK-GFCCVEGCSA-N 0 0 228.295 2.744 50 0 BFAARN Cc1cc(=O)c2cc(OCC(C)C)ccc2[nH]1 ZINC000008700563 344239031 /nfs/dbraw/zinc/23/90/31/344239031.db2.gz UPQHKWQRXLZGPQ-UHFFFAOYSA-N 0 0 231.295 2.871 50 0 BFAARN Cc1ccc(CNc2cnn(CC(C)C)c2)nc1 ZINC000090199588 178640968 /nfs/dbraw/zinc/64/09/68/178640968.db2.gz KHQFEUNSNVXRFM-UHFFFAOYSA-N 0 0 244.342 2.855 50 0 BFAARN CC(C)C(=O)Nc1cc(Cl)ccc1O ZINC000011638369 344395957 /nfs/dbraw/zinc/39/59/57/344395957.db2.gz WWFFSAFZBIHKDQ-UHFFFAOYSA-N 0 0 213.664 2.640 50 0 BFAARN CCc1[nH]nc(C(=O)N2CCCCCCC2)c1C ZINC000097475085 344398236 /nfs/dbraw/zinc/39/82/36/344398236.db2.gz QNDWGFRXWFRRJY-UHFFFAOYSA-N 0 0 249.358 2.687 50 0 BFAARN CC(C)(C)c1cccc(C2(O)CCOCC2)c1 ZINC000072233404 344519185 /nfs/dbraw/zinc/51/91/85/344519185.db2.gz UGSDDHHJPWQEFC-UHFFFAOYSA-N 0 0 234.339 2.982 50 0 BFAARN CCOC(=O)c1cc(C(C)(C)C)c(O)cc1O ZINC000072233427 344519389 /nfs/dbraw/zinc/51/93/89/344519389.db2.gz LCIBWWACUMMQFK-UHFFFAOYSA-N 0 0 238.283 2.572 50 0 BFAARN CCSc1nnc2c3ccccc3n(C)c2n1 ZINC000000105404 344542759 /nfs/dbraw/zinc/54/27/59/344542759.db2.gz KUWMNBMXUZKIDV-UHFFFAOYSA-N 0 0 244.323 2.629 50 0 BFAARN CSc1nnc2sc3ccccc3n12 ZINC000000114761 344549135 /nfs/dbraw/zinc/54/91/35/344549135.db2.gz CBORUMKHTLMDNG-UHFFFAOYSA-N 0 0 221.310 2.666 50 0 BFAARN Cc1ccc(F)c(NC(=O)c2ccccc2N)c1 ZINC000016482567 178675357 /nfs/dbraw/zinc/67/53/57/178675357.db2.gz WBPPHBHPLWOZBF-UHFFFAOYSA-N 0 0 244.269 2.969 50 0 BFAARN COC(=O)c1sc2ccccc2c1NC(C)=O ZINC000000190377 344614650 /nfs/dbraw/zinc/61/46/50/344614650.db2.gz PBMJKDLUNBJHDK-UHFFFAOYSA-N 0 0 249.291 2.646 50 0 BFAARN Cc1cc(C(=O)N2CCCC[C@H]2C)c(C)o1 ZINC000028225660 344604083 /nfs/dbraw/zinc/60/40/83/344604083.db2.gz PCDGUVAFWVFVPI-SECBINFHSA-N 0 0 221.300 2.911 50 0 BFAARN CCc1nc(C)c(C(=O)NC(C)(C)CC)s1 ZINC000050257423 344662321 /nfs/dbraw/zinc/66/23/21/344662321.db2.gz VLOHFRUFBNVUPG-UHFFFAOYSA-N 0 0 240.372 2.932 50 0 BFAARN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC1 ZINC000000281184 344675361 /nfs/dbraw/zinc/67/53/61/344675361.db2.gz XAGAWVUMMWZXRR-SNVBAGLBSA-N 0 0 242.322 2.625 50 0 biogenic BFAARN CC(C)(C)C1=NO[C@](O)(c2ccccc2)C1 ZINC000000352501 344723661 /nfs/dbraw/zinc/72/36/61/344723661.db2.gz CWLJXUZKESEADP-ZDUSSCGKSA-N 0 0 219.284 2.654 50 0 BFAARN CC(C)(C)C(=O)CC(=O)Nc1ccccc1 ZINC000000363057 344729395 /nfs/dbraw/zinc/72/93/95/344729395.db2.gz XVEPKNMOJLPFCN-UHFFFAOYSA-N 0 0 219.284 2.630 50 0 BFAARN CCOc1cccc(NC(=O)c2cccnc2)c1 ZINC000000349141 344716686 /nfs/dbraw/zinc/71/66/86/344716686.db2.gz XMXRHQBPGXFBBC-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1ccccc1F ZINC000033468493 344757278 /nfs/dbraw/zinc/75/72/78/344757278.db2.gz SJHLZNROYFPOEM-SNVBAGLBSA-N 0 0 239.290 2.511 50 0 BFAARN Cc1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000101209812 178712586 /nfs/dbraw/zinc/71/25/86/178712586.db2.gz CWHJJRXWQHGXBU-BETUJISGSA-N 0 0 243.306 2.675 50 0 BFAARN Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000255103 178712622 /nfs/dbraw/zinc/71/26/22/178712622.db2.gz MXNBXEFODBPXBQ-UHFFFAOYSA-N 0 0 237.258 2.796 50 0 BFAARN Cc1cc(Br)c(Cl)cn1 ZINC000095762073 537868134 /nfs/dbraw/zinc/86/81/34/537868134.db2.gz HNVMDSYZOIIFLJ-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN Cc1ccc(N[C@@H](C)C(=O)N2CCCC2)c(C)c1 ZINC000057324379 178769623 /nfs/dbraw/zinc/76/96/23/178769623.db2.gz NYHXQJYHWAWYHI-ZDUSSCGKSA-N 0 0 246.354 2.726 50 0 BFAARN CC[C@@H](NCc1cc[nH]n1)c1cccc(F)c1 ZINC000166543768 344924132 /nfs/dbraw/zinc/92/41/32/344924132.db2.gz XJQWSDCHIBNTNO-CYBMUJFWSA-N 0 0 233.290 2.790 50 0 BFAARN Cc1ccc(OC(=O)c2cccc(C)c2)nc1 ZINC000000363153 178808213 /nfs/dbraw/zinc/80/82/13/178808213.db2.gz HSAATDPVSGZIMU-UHFFFAOYSA-N 0 0 227.263 2.918 50 0 BFAARN COc1cc(Cl)c(C(F)(F)F)cn1 ZINC000238412703 345043620 /nfs/dbraw/zinc/04/36/20/345043620.db2.gz SIFFIPDEANVBPC-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN Cc1ccc([C@H]2Cc3n[nH]cc3C(=O)C2)cc1 ZINC000008738503 178870261 /nfs/dbraw/zinc/87/02/61/178870261.db2.gz YPSMBCQMEWWUON-NSHDSACASA-N 0 0 226.279 2.631 50 0 BFAARN COC(=O)CSc1cc(C)c2ccccc2n1 ZINC000000421427 345601658 /nfs/dbraw/zinc/60/16/58/345601658.db2.gz GRJHPGDARKCPAL-UHFFFAOYSA-N 0 0 247.319 2.808 50 0 BFAARN CC(C)(C)C(=O)NCCn1ccc2ccccc21 ZINC000000427857 345624840 /nfs/dbraw/zinc/62/48/40/345624840.db2.gz GKCOISMINNNSAT-UHFFFAOYSA-N 0 0 244.338 2.804 50 0 BFAARN C[C@H](C(=O)NC1CCCCCCC1)n1cccn1 ZINC000028193904 537900950 /nfs/dbraw/zinc/90/09/50/537900950.db2.gz HSHTXHXTCLNQPQ-GFCCVEGCSA-N 0 0 249.358 2.673 50 0 BFAARN CC(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000064851244 192089416 /nfs/dbraw/zinc/08/94/16/192089416.db2.gz UPFLIYVVTNETPN-UHFFFAOYSA-N 0 0 221.275 2.731 50 0 BFAARN CC(C)(C)[C@H]([NH2+]CC(=O)[O-])c1cccs1 ZINC000236717630 192089582 /nfs/dbraw/zinc/08/95/82/192089582.db2.gz HBFLIPNNQQTIIO-SNVBAGLBSA-N 0 0 227.329 2.510 50 0 BFAARN C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CCCS2)C1 ZINC000095404752 345686113 /nfs/dbraw/zinc/68/61/13/345686113.db2.gz UJJYIJHLRJPAHB-VWYCJHECSA-N 0 0 227.373 2.529 50 0 BFAARN O=C(c1cc(C2CC2)on1)N1CCCCCCC1 ZINC000095348822 345686310 /nfs/dbraw/zinc/68/63/10/345686310.db2.gz VQQHIJUYVQOYHO-UHFFFAOYSA-N 0 0 248.326 2.958 50 0 BFAARN CCc1ocnc1C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000095961474 345686819 /nfs/dbraw/zinc/68/68/19/345686819.db2.gz LAQCBEDXJHOIOM-MNOVXSKESA-N 0 0 248.326 2.642 50 0 BFAARN CCCc1noc(-c2cccc(C)c2)n1 ZINC000000430454 345694411 /nfs/dbraw/zinc/69/44/11/345694411.db2.gz DRDQZYJVTISZQO-UHFFFAOYSA-N 0 0 202.257 2.998 50 0 BFAARN Cc1ccc([C@H](NC(=O)NC2CC2)C2CC2)cc1 ZINC000074016548 178909123 /nfs/dbraw/zinc/90/91/23/178909123.db2.gz YTGSUQUQMCPKDG-AWEZNQCLSA-N 0 0 244.338 2.908 50 0 BFAARN Cc1noc(C)c1C[S@](=O)c1ccoc1C ZINC000189608373 345827642 /nfs/dbraw/zinc/82/76/42/345827642.db2.gz XMNKRZBDGMDVNB-INIZCTEOSA-N 0 0 239.296 2.501 50 0 BFAARN O=C(Nc1cncc(F)c1)c1cccs1 ZINC000082356053 345911524 /nfs/dbraw/zinc/91/15/24/345911524.db2.gz DACIDSIBGJHDMT-UHFFFAOYSA-N 0 0 222.244 2.535 50 0 BFAARN Cc1ccc2c(c1)[C@H]1CCCC(=O)[C@H]1N2 ZINC000002130869 178956976 /nfs/dbraw/zinc/95/69/76/178956976.db2.gz KQAOLVJMYZHVBN-RNCFNFMXSA-N 0 0 201.269 2.626 50 0 biogenic BFAARN C[C@@H](NC(=O)c1ccc(O)cc1F)C(C)(C)C ZINC000095993662 346090647 /nfs/dbraw/zinc/09/06/47/346090647.db2.gz CDLIMZMAPIOZTM-MRVPVSSYSA-N 0 0 239.290 2.696 50 0 BFAARN CC(C)CCn1ccc(C(F)(F)F)cc1=O ZINC000192568016 346092370 /nfs/dbraw/zinc/09/23/70/346092370.db2.gz DLTNWONKNUABCT-UHFFFAOYSA-N 0 0 233.233 2.913 50 0 BFAARN c1nc2ccccc2n1NCc1ccccc1 ZINC000000978588 346170535 /nfs/dbraw/zinc/17/05/35/346170535.db2.gz JFZDNNXTTVFZHL-UHFFFAOYSA-N 0 0 223.279 2.780 50 0 BFAARN Cc1ccc([C@H](O)c2ccccc2N)cc1 ZINC000005330871 346189277 /nfs/dbraw/zinc/18/92/77/346189277.db2.gz HAUFICIUCBBZIK-AWEZNQCLSA-N 0 0 213.280 2.659 50 0 BFAARN CCCC(=O)NCCc1cccc(Cl)c1 ZINC000005456411 346232323 /nfs/dbraw/zinc/23/23/23/346232323.db2.gz OIUIJETUQQKYBK-UHFFFAOYSA-N 0 0 225.719 2.799 50 0 BFAARN Cc1cccc(C(=O)N[C@H](C)c2cccnc2)c1 ZINC000012546073 179023192 /nfs/dbraw/zinc/02/31/92/179023192.db2.gz FVXLSWCXTDUJFQ-GFCCVEGCSA-N 0 0 240.306 2.881 50 0 BFAARN COc1cc(C)c(NC(=O)[C@@H]2C[C@H]2C)cc1OC ZINC000005616890 346284425 /nfs/dbraw/zinc/28/44/25/346284425.db2.gz CAUMHHMSEMESFJ-PSASIEDQSA-N 0 0 249.310 2.607 50 0 BFAARN Cn1c(Cc2ccccc2)nc2cnccc21 ZINC000005387401 346263155 /nfs/dbraw/zinc/26/31/55/346263155.db2.gz WQIRWWOCAOLZOF-UHFFFAOYSA-N 0 0 223.279 2.559 50 0 BFAARN C[C@@]1(c2cccnc2)CC(=O)c2ccccc2O1 ZINC000005587201 346265531 /nfs/dbraw/zinc/26/55/31/346265531.db2.gz NMQTZIVJPRLLFT-HNNXBMFYSA-N 0 0 239.274 2.962 50 0 BFAARN Cc1ccc(NC(=O)C2CCCC2)nc1 ZINC000000473926 346271452 /nfs/dbraw/zinc/27/14/52/346271452.db2.gz WHWRDBZLLKIXRZ-UHFFFAOYSA-N 0 0 204.273 2.519 50 0 BFAARN O=C(c1cscn1)N1CC[C@@H]2CCCC[C@H]21 ZINC000078487931 537966858 /nfs/dbraw/zinc/96/68/58/537966858.db2.gz XQTZCVLWVVKBRS-GXSJLCMTSA-N 0 0 236.340 2.548 50 0 BFAARN CS[C@H]1CCC[C@H]1Nc1nc(C)ns1 ZINC000078447901 537965730 /nfs/dbraw/zinc/96/57/30/537965730.db2.gz GCYBXOKIKZGWIF-SFYZADRCSA-N 0 0 229.374 2.543 50 0 BFAARN Cc1cccc(C(=O)c2ccc(C)nc2)c1 ZINC000045029055 179027053 /nfs/dbraw/zinc/02/70/53/179027053.db2.gz WWJVJFOCXDJZQH-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN O=c1[nH]c2cc(F)ccc2n1Cc1ccccc1 ZINC000034458251 346287733 /nfs/dbraw/zinc/28/77/33/346287733.db2.gz AGKKIEUWUONHQS-UHFFFAOYSA-N 0 0 242.253 2.517 50 0 BFAARN Cc1cccc(C)c1NC(=O)c1ccccn1 ZINC000010214503 179042561 /nfs/dbraw/zinc/04/25/61/179042561.db2.gz SHZDEASIMRREIQ-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 in-vitro BFAARN Cc1cccc(C)c1OCC(=O)NC(C)(C)C ZINC000000349841 179044844 /nfs/dbraw/zinc/04/48/44/179044844.db2.gz AWMCQKVHESGDKM-UHFFFAOYSA-N 0 0 235.327 2.597 50 0 BFAARN Cc1csc(NC(=O)Cc2cccc(C)c2)n1 ZINC000006726438 179052290 /nfs/dbraw/zinc/05/22/90/179052290.db2.gz GIVFDKMNUVDHEJ-UHFFFAOYSA-N 0 0 246.335 2.941 50 0 BFAARN Cc1cccc(CC(=O)NCc2cccs2)c1 ZINC000006731548 179053153 /nfs/dbraw/zinc/05/31/53/179053153.db2.gz CVQAPPAPSXFJOT-UHFFFAOYSA-N 0 0 245.347 2.915 50 0 BFAARN O=C(CCC1CCCCC1)NC1=NCCS1 ZINC000000189927 346402132 /nfs/dbraw/zinc/40/21/32/346402132.db2.gz BNPXHHBRHHBNSM-UHFFFAOYSA-N 0 0 240.372 2.566 50 0 BFAARN O=C1NC2(CCCCC2)Cc2ccccc21 ZINC000000251366 346406772 /nfs/dbraw/zinc/40/67/72/346406772.db2.gz BOINCCWBKQGBJT-UHFFFAOYSA-N 0 0 215.296 2.675 50 0 BFAARN CC[C@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC000000476477 346391357 /nfs/dbraw/zinc/39/13/57/346391357.db2.gz HYKHBSRNBBCIDT-NSHDSACASA-N 0 0 221.300 2.993 50 0 BFAARN CCCc1c(C)c2ccc(O)cc2oc1=O ZINC000000308176 346411391 /nfs/dbraw/zinc/41/13/91/346411391.db2.gz HKJUWQFMRNKNAF-UHFFFAOYSA-N 0 0 218.252 2.760 50 0 biogenic BFAARN Cc1ccc(NC(=O)Cc2cccs2)nc1 ZINC000000365234 346415000 /nfs/dbraw/zinc/41/50/00/346415000.db2.gz DBWUXFZPARYHIG-UHFFFAOYSA-N 0 0 232.308 2.633 50 0 BFAARN Clc1cccc(OCCn2ccnc2)c1 ZINC000000431619 346418729 /nfs/dbraw/zinc/41/87/29/346418729.db2.gz VPAOHFJUGCBTIC-UHFFFAOYSA-N 0 0 222.675 2.616 50 0 BFAARN Cc1cc(C(=O)NCc2cccs2)c(C)o1 ZINC000000999814 346427719 /nfs/dbraw/zinc/42/77/19/346427719.db2.gz PCHWWXUEJZRTFJ-UHFFFAOYSA-N 0 0 235.308 2.888 50 0 BFAARN Cc1cccc(CNC(=O)/C=C/c2ccco2)c1 ZINC000012903478 179085754 /nfs/dbraw/zinc/08/57/54/179085754.db2.gz AULIRFXIIPDRGB-BQYQJAHWSA-N 0 0 241.290 2.918 50 0 BFAARN Cc1cccc(CNC(=O)NCc2ccco2)c1 ZINC000045112561 179087094 /nfs/dbraw/zinc/08/70/94/179087094.db2.gz PRFHARNESZVYMF-UHFFFAOYSA-N 0 0 244.294 2.587 50 0 BFAARN Cc1occc1C(=O)NCc1cccc(C)c1 ZINC000026021493 179088368 /nfs/dbraw/zinc/08/83/68/179088368.db2.gz SDRAUPAIEQTVHY-UHFFFAOYSA-N 0 0 229.279 2.826 50 0 BFAARN CCCC(=O)N[C@@H]1CCC[C@@H]1SCC ZINC000096450664 168556678 /nfs/dbraw/zinc/55/66/78/168556678.db2.gz KSALHUBUULOPBW-ZJUUUORDSA-N 0 0 215.362 2.577 50 0 BFAARN C[C@@H](Nc1cnn(C)c1)c1nc2ccccc2o1 ZINC000186167023 346496181 /nfs/dbraw/zinc/49/61/81/346496181.db2.gz CXLWREJOULHYOI-SECBINFHSA-N 0 0 242.282 2.734 50 0 BFAARN CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000000057722 346499740 /nfs/dbraw/zinc/49/97/40/346499740.db2.gz NKRISXMDKXBVRJ-UHFFFAOYSA-N 0 0 204.225 2.500 50 0 endogenous,in-man BFAARN Cc1cccc(F)c1NC(=O)Cc1cccnc1 ZINC000097035154 179110487 /nfs/dbraw/zinc/11/04/87/179110487.db2.gz DEMLSIYKBZKNAK-UHFFFAOYSA-N 0 0 244.269 2.710 50 0 BFAARN Cc1cccc(I)c1 ZINC000001672847 179110811 /nfs/dbraw/zinc/11/08/11/179110811.db2.gz VLCPISYURGTGLP-UHFFFAOYSA-N 0 0 218.037 2.600 50 0 BFAARN Cc1cccc(N)c1S[C@H]1CCCC[C@@H]1O ZINC000000553527 179121120 /nfs/dbraw/zinc/12/11/20/179121120.db2.gz LJGIJNFBHPWGCW-RYUDHWBXSA-N 0 0 237.368 2.973 50 0 BFAARN O=S(=O)(c1ccccc1)[C@@H]1C=CCCC1 ZINC000004114243 346592575 /nfs/dbraw/zinc/59/25/75/346592575.db2.gz DIHRJKGTAFQMJV-GFCCVEGCSA-N 0 0 222.309 2.569 50 0 BFAARN CCCCCSc1ncnc2[nH]cnc21 ZINC000004658292 346606104 /nfs/dbraw/zinc/60/61/04/346606104.db2.gz UDXMVJZRHSMPEJ-UHFFFAOYSA-N 0 0 222.317 2.635 50 0 in-vitro BFAARN Cc1cc(CNC(=O)Nc2cccc(C)c2)on1 ZINC000049516361 179134673 /nfs/dbraw/zinc/13/46/73/179134673.db2.gz XMRABSYTENESPC-UHFFFAOYSA-N 0 0 245.282 2.613 50 0 BFAARN Cc1cccc(NC(=O)OC(C)(C)C)c1N ZINC000089194821 179137251 /nfs/dbraw/zinc/13/72/51/179137251.db2.gz UBNVNWVDWSIMOE-UHFFFAOYSA-N 0 0 222.288 2.924 50 0 BFAARN Cc1cccc(NC(=O)OCC(F)(F)F)n1 ZINC000032628808 179137402 /nfs/dbraw/zinc/13/74/02/179137402.db2.gz ZZFSFNGBEOQAII-UHFFFAOYSA-N 0 0 234.177 2.501 50 0 BFAARN Cc1cccc(NC(=O)Nc2ccc(O)cc2)n1 ZINC000170087679 179137613 /nfs/dbraw/zinc/13/76/13/179137613.db2.gz MVKMDCBHOBZFIT-UHFFFAOYSA-N 0 0 243.266 2.740 50 0 BFAARN Cc1cccc(NC(=O)OC(C)(C)C)n1 ZINC000015021499 179137946 /nfs/dbraw/zinc/13/79/46/179137946.db2.gz XSVAARVWQDEAEL-UHFFFAOYSA-N 0 0 208.261 2.737 50 0 BFAARN Cc1cccc(NC(=O)NC2CC2)c1C ZINC000006698594 179133142 /nfs/dbraw/zinc/13/31/42/179133142.db2.gz MVPOVJLLISNGPX-UHFFFAOYSA-N 0 0 204.273 2.587 50 0 BFAARN Cc1cccc(NC(=O)c2cc(Cl)ccn2)n1 ZINC000012540743 179142358 /nfs/dbraw/zinc/14/23/58/179142358.db2.gz MZBOVUKDOCFXFB-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1nnsc1C(=O)Oc1cccc(C)c1C ZINC000008673520 179161999 /nfs/dbraw/zinc/16/19/99/179161999.db2.gz DAOHQZWVWYBSGL-UHFFFAOYSA-N 0 0 248.307 2.683 50 0 BFAARN Cc1cccc(OCCN2C(=O)CC[C@H]2C)c1C ZINC000095505041 179166887 /nfs/dbraw/zinc/16/68/87/179166887.db2.gz QMLJYZDSIJZGJS-GFCCVEGCSA-N 0 0 247.338 2.693 50 0 BFAARN Cc1cccc(O[C@H](C)C(=O)N2CCCCC2)c1 ZINC000004832803 179174994 /nfs/dbraw/zinc/17/49/94/179174994.db2.gz STTVCUBVKLWQAB-CYBMUJFWSA-N 0 0 247.338 2.775 50 0 BFAARN Cc1cccc(O[C@H](C)c2nnc(N)s2)c1C ZINC000000808219 179175278 /nfs/dbraw/zinc/17/52/78/179175278.db2.gz NPAGTEVEAGUCNO-SECBINFHSA-N 0 0 249.339 2.877 50 0 BFAARN Cc1cccc2sc(C(N)=O)c(Cl)c21 ZINC000005748258 347250045 /nfs/dbraw/zinc/25/00/45/347250045.db2.gz FVVZSWKBHWLQFX-UHFFFAOYSA-N 0 0 225.700 2.962 50 0 BFAARN O=C(c1cccc(Br)c1)C(F)F ZINC000095704963 347263747 /nfs/dbraw/zinc/26/37/47/347263747.db2.gz HZELFBPCXLKNMP-UHFFFAOYSA-N 0 0 235.027 2.897 50 0 BFAARN Cc1sc2ncnc(NC3CC3)c2c1C ZINC000019797032 347356163 /nfs/dbraw/zinc/35/61/63/347356163.db2.gz ARPUVYCKWSKPHZ-UHFFFAOYSA-N 0 0 219.313 2.882 50 0 BFAARN CCCCCN(CCCCC)S(C)(=O)=O ZINC000013946437 362818651 /nfs/dbraw/zinc/81/86/51/362818651.db2.gz DCKWCQYRLPKVPW-UHFFFAOYSA-N 0 0 235.393 2.628 50 0 BFAARN Cc1oc(-c2ccccc2C)[n+]([O-])c1C ZINC000000215824 179241130 /nfs/dbraw/zinc/24/11/30/179241130.db2.gz TYQIQQQOKTXPNI-UHFFFAOYSA-N 0 0 203.241 2.505 50 0 BFAARN Cc1ccc(NC(=O)[C@H](C)n2cccn2)cc1F ZINC000012915301 347475203 /nfs/dbraw/zinc/47/52/03/347475203.db2.gz BCQBIIQIRKFIEM-JTQLQIEISA-N 0 0 247.273 2.530 50 0 BFAARN Cc1ccccc1C(=O)NCC[C@@H](O)C(C)(C)C ZINC000077108928 179249446 /nfs/dbraw/zinc/24/94/46/179249446.db2.gz JJTMZIZLJFDOFQ-CYBMUJFWSA-N 0 0 249.354 2.522 50 0 BFAARN Nc1ccc(Cl)cc1C(=O)N1CCCCC1 ZINC000019257992 347513954 /nfs/dbraw/zinc/51/39/54/347513954.db2.gz UZILIFILTHTXPG-UHFFFAOYSA-N 0 0 238.718 2.548 50 0 BFAARN Cc1ccccc1C(=O)NCCCn1cccc1 ZINC000049028464 179250068 /nfs/dbraw/zinc/25/00/68/179250068.db2.gz LTCLHXUTYKQHKQ-UHFFFAOYSA-N 0 0 242.322 2.617 50 0 BFAARN Cc1ccccc1C(=O)N[C@@H](C)Cc1ccoc1 ZINC000084827365 179251526 /nfs/dbraw/zinc/25/15/26/179251526.db2.gz LZCMJBGHVLXVBH-LBPRGKRZSA-N 0 0 243.306 2.949 50 0 BFAARN Cc1ccccc1C(=O)NCc1ccco1 ZINC000000128815 179251550 /nfs/dbraw/zinc/25/15/50/179251550.db2.gz UXIIWEXTWQAJSJ-UHFFFAOYSA-N 0 0 215.252 2.518 50 0 BFAARN Cc1ccccc1C(=O)N[C@H](CCO)C(C)(C)C ZINC000096495899 179252689 /nfs/dbraw/zinc/25/26/89/179252689.db2.gz JWQXLISFDZFCKX-CYBMUJFWSA-N 0 0 249.354 2.522 50 0 BFAARN Cc1ccccc1C(=O)Nc1ccc(N)cc1O ZINC000006709630 179252738 /nfs/dbraw/zinc/25/27/38/179252738.db2.gz IRRLMACLEYNXFR-UHFFFAOYSA-N 0 0 242.278 2.535 50 0 BFAARN Cc1ccccc1CC(=O)Nc1ccccn1 ZINC000012545122 179260755 /nfs/dbraw/zinc/26/07/55/179260755.db2.gz CVPIYPJQCMYQKX-UHFFFAOYSA-N 0 0 226.279 2.571 50 0 BFAARN COCCCSCc1ccc(C)nc1C ZINC000195571504 347647702 /nfs/dbraw/zinc/64/77/02/347647702.db2.gz FVJBDDZRPDNFCF-UHFFFAOYSA-N 0 0 225.357 2.968 50 0 BFAARN CC(C)(C)CCS[C@@H]1CCN(C2CC2)C1=O ZINC000195573128 347648060 /nfs/dbraw/zinc/64/80/60/347648060.db2.gz GVTUOINUQMVLQT-LLVKDONJSA-N 0 0 241.400 2.919 50 0 BFAARN C[C@@H](CCn1cccn1)OCc1ccccc1 ZINC000195578307 347648388 /nfs/dbraw/zinc/64/83/88/347648388.db2.gz OJRJWYXKHQGWKX-ZDUSSCGKSA-N 0 0 230.311 2.879 50 0 BFAARN Oc1cccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000195576002 347648478 /nfs/dbraw/zinc/64/84/78/347648478.db2.gz GXSAMNBVLABXQA-MCIONIFRSA-N 0 0 245.322 2.762 50 0 BFAARN Cc1ccccc1CNC(=O)Nc1cccnc1 ZINC000009379130 179279466 /nfs/dbraw/zinc/27/94/66/179279466.db2.gz JMBACHWFZOEKSZ-UHFFFAOYSA-N 0 0 241.294 2.712 50 0 BFAARN Cc1ccccc1NC(=O)NCc1ccco1 ZINC000003958923 179300381 /nfs/dbraw/zinc/30/03/81/179300381.db2.gz JDFYBIQKXZAMMA-UHFFFAOYSA-N 0 0 230.267 2.910 50 0 BFAARN Cc1ccccc1NC(=O)c1cccnc1 ZINC000000344414 179302766 /nfs/dbraw/zinc/30/27/66/179302766.db2.gz VORCCRLLTRBNGY-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN Cc1oncc1C(=O)Nc1ccccc1C ZINC000000384972 179303861 /nfs/dbraw/zinc/30/38/61/179303861.db2.gz RSQASCOTYUSZGW-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN Cc1ccccc1NC(=O)CC[C@H]1CCCO1 ZINC000040505835 179298441 /nfs/dbraw/zinc/29/84/41/179298441.db2.gz RKDFEQOROIDRAW-GFCCVEGCSA-N 0 0 233.311 2.893 50 0 BFAARN Cc1ccccc1NC(=O)C[C@@H](C)n1cccn1 ZINC000020990824 179298601 /nfs/dbraw/zinc/29/86/01/179298601.db2.gz DHQZBHCIMGZDOD-GFCCVEGCSA-N 0 0 243.310 2.781 50 0 BFAARN CC[C@@H](NCc1nnc(C)o1)c1cccs1 ZINC000184062504 347878650 /nfs/dbraw/zinc/87/86/50/347878650.db2.gz XMZZYSRHXRPGOA-SECBINFHSA-N 0 0 237.328 2.680 50 0 BFAARN Cc1ccccc1O[C@H](C)C(=O)N1CCCCC1 ZINC000059267373 179312701 /nfs/dbraw/zinc/31/27/01/179312701.db2.gz CQKBDWHOWFJPKA-CYBMUJFWSA-N 0 0 247.338 2.775 50 0 BFAARN Cc1ccccc1O[C@@H](C)C(=O)NC1CCCC1 ZINC000001067026 179313028 /nfs/dbraw/zinc/31/30/28/179313028.db2.gz JQJQITAXSYCQJD-LBPRGKRZSA-N 0 0 247.338 2.821 50 0 BFAARN Cc1ccc(NC(=O)Cc2cccs2)c(O)c1 ZINC000004666638 347988382 /nfs/dbraw/zinc/98/83/82/347988382.db2.gz OVVJUJDZYJKENU-UHFFFAOYSA-N 0 0 247.319 2.943 50 0 BFAARN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+]([C@H](C)C(=O)[O-])C1 ZINC000265779403 179331520 /nfs/dbraw/zinc/33/15/20/179331520.db2.gz ISUZEUDDYACWPR-YNEHKIRRSA-N 0 0 247.338 2.646 50 0 BFAARN Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCC(=O)[O-])C1 ZINC000237545506 179331974 /nfs/dbraw/zinc/33/19/74/179331974.db2.gz PPCNVSVVZCRYBX-QWHCGFSZSA-N 0 0 247.338 2.648 50 0 BFAARN Cc1ccccc1[C@H]1Nc2ccccc2C(=O)N1 ZINC000009737309 179332222 /nfs/dbraw/zinc/33/22/22/179332222.db2.gz HEXRIGFWUUMZHO-AWEZNQCLSA-N 0 0 238.290 2.849 50 0 BFAARN Cc1ccc(NC(=O)[C@H]2CCCO2)cc1Cl ZINC000002774006 349982347 /nfs/dbraw/zinc/98/23/47/349982347.db2.gz PBPAQBVWROIUEM-LLVKDONJSA-N 0 0 239.702 2.766 50 0 BFAARN Cc1cccnc1N(C)C(=O)OC(C)(C)C ZINC000038537703 179385793 /nfs/dbraw/zinc/38/57/93/179385793.db2.gz BPUKNLSIBNNSDN-UHFFFAOYSA-N 0 0 222.288 2.761 50 0 BFAARN Cc1cccnc1NC(=O)Cc1ccc(F)cc1 ZINC000032721862 179390578 /nfs/dbraw/zinc/39/05/78/179390578.db2.gz VUVFUOZGXMXFAY-UHFFFAOYSA-N 0 0 244.269 2.710 50 0 BFAARN Cc1ccnc(NC(=O)Cc2ccccc2F)c1 ZINC000000363380 179435443 /nfs/dbraw/zinc/43/54/43/179435443.db2.gz KYJSIWYOTQCOIW-UHFFFAOYSA-N 0 0 244.269 2.710 50 0 BFAARN Cc1ccoc1C(=O)NC1CCCCC1 ZINC000021004814 179505343 /nfs/dbraw/zinc/50/53/43/179505343.db2.gz OHYPFYICNRFWLF-UHFFFAOYSA-N 0 0 207.273 2.651 50 0 BFAARN Cc1cnc(C)c(NCCCOC2CCCC2)n1 ZINC000273821089 179579395 /nfs/dbraw/zinc/57/93/95/179579395.db2.gz CWEALFOGBLWRJM-UHFFFAOYSA-N 0 0 249.358 2.855 50 0 BFAARN Nc1ccccc1C1=N[C@@H](c2ccc[nH]2)N=N1 ZINC000198455753 348736580 /nfs/dbraw/zinc/73/65/80/348736580.db2.gz NVXKDMAFACKOOL-GFCCVEGCSA-N 0 0 225.255 2.508 50 0 BFAARN Cc1ccc(C[NH+]2CCC(C(=O)[O-])CC2)cc1C ZINC000038539658 348703477 /nfs/dbraw/zinc/70/34/77/348703477.db2.gz QGENNQKQEMXWHB-UHFFFAOYSA-N 0 0 247.338 2.600 50 0 BFAARN CC(C)c1noc(CN2C[C@H](C)C[C@@H](C)C2)n1 ZINC000040489570 348791558 /nfs/dbraw/zinc/79/15/58/348791558.db2.gz QNDWTSIRDGQICF-GHMZBOCLSA-N 0 0 237.347 2.671 50 0 BFAARN Cc1ccc(OCC(=O)N2CCCCC2)c(C)c1 ZINC000000444966 187408368 /nfs/dbraw/zinc/40/83/68/187408368.db2.gz ORPYUTIJHKHREP-UHFFFAOYSA-N 0 0 247.338 2.695 50 0 BFAARN C/C(=C\c1ccc(Br)o1)[N+](=O)[O-] ZINC000034984414 187421540 /nfs/dbraw/zinc/42/15/40/187421540.db2.gz NTCSJAIZGNPUBU-SNAWJCMRSA-N 0 0 232.033 2.680 50 0 BFAARN Cc1cnn(Cc2ccc(F)c(F)c2)c1 ZINC000098013750 179743691 /nfs/dbraw/zinc/74/36/91/179743691.db2.gz YZYYZYOJQPKXEV-UHFFFAOYSA-N 0 0 208.211 2.518 50 0 BFAARN CCc1ccc(C(=O)N2CCC[C@H](C)C2)o1 ZINC000040510965 187428212 /nfs/dbraw/zinc/42/82/12/187428212.db2.gz DXIMDALYKMLDAX-JTQLQIEISA-N 0 0 221.300 2.714 50 0 BFAARN CC(=O)N1CCC[C@H](Nc2ccc(C)c(C)c2)C1 ZINC000012448037 187414823 /nfs/dbraw/zinc/41/48/23/187414823.db2.gz VDHPZNOLJJSDHB-HNNXBMFYSA-N 0 0 246.354 2.726 50 0 BFAARN O=C(OCCC[C@@H]1CCCO1)c1cccs1 ZINC000184405045 349129229 /nfs/dbraw/zinc/12/92/29/349129229.db2.gz WNKRGNCBPMSECG-JTQLQIEISA-N 0 0 240.324 2.864 50 0 BFAARN Cc1nc(-c2ccc(CO)cc2)cs1 ZINC000004277377 179863575 /nfs/dbraw/zinc/86/35/75/179863575.db2.gz RJHSPNFHEAFWDW-UHFFFAOYSA-N 0 0 205.282 2.611 50 0 BFAARN Cc1nc2[nH]ccc(=O)c2c(-c2ccccc2)n1 ZINC000000267401 179866015 /nfs/dbraw/zinc/86/60/15/179866015.db2.gz XSKDQGUNOPNRIJ-UHFFFAOYSA-N 0 0 237.262 2.706 50 0 BFAARN Cc1nc(-c2cccnc2)nc(N(C)C)c1Cl ZINC000000074693 179869194 /nfs/dbraw/zinc/86/91/94/179869194.db2.gz MAQIBFZQJPOBRH-UHFFFAOYSA-N 0 0 248.717 2.566 50 0 BFAARN CC(=O)N(Cc1ccoc1)Cc1cccs1 ZINC000090612056 191002335 /nfs/dbraw/zinc/00/23/35/191002335.db2.gz TXLZIPLRSFKQMR-UHFFFAOYSA-N 0 0 235.308 2.890 50 0 BFAARN Cc1cc(C)c2[nH]c(=O)c(-c3ncc[nH]3)cc2c1 ZINC000067982631 191002367 /nfs/dbraw/zinc/00/23/67/191002367.db2.gz QLVWWZKUYCCOQL-UHFFFAOYSA-N 0 0 239.278 2.535 50 0 BFAARN CC(C)CSCc1nnc(C2CC2)n1C ZINC000068043297 191002377 /nfs/dbraw/zinc/00/23/77/191002377.db2.gz GKMPOBHRVBVXDK-UHFFFAOYSA-N 0 0 225.361 2.582 50 0 BFAARN O=C(CCc1ccccc1)NCc1ccco1 ZINC000000802821 350107747 /nfs/dbraw/zinc/10/77/47/350107747.db2.gz LDJRBCNFCKLPFK-UHFFFAOYSA-N 0 0 229.279 2.529 50 0 BFAARN CC(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000089962705 191022892 /nfs/dbraw/zinc/02/28/92/191022892.db2.gz KTPQYNMRYPNEAO-UHFFFAOYSA-N 0 0 232.110 2.672 50 0 BFAARN Cc1nc2cc(NC(=O)c3ccco3)ccc2o1 ZINC000024045317 180082374 /nfs/dbraw/zinc/08/23/74/180082374.db2.gz VJJKBUWIMWFZSX-UHFFFAOYSA-N 0 0 242.234 2.982 50 0 BFAARN Cc1nc2ccc(-c3ccsc3)cc2c(=O)[nH]1 ZINC000032537130 180086900 /nfs/dbraw/zinc/08/69/00/180086900.db2.gz QBWBJLUZBJYALI-UHFFFAOYSA-N 0 0 242.303 2.960 50 0 BFAARN Cc1nc2ccc(N)cc2n1-c1ccccc1 ZINC000007986296 180092660 /nfs/dbraw/zinc/09/26/60/180092660.db2.gz UVOUBANZZAIMEZ-UHFFFAOYSA-N 0 0 223.279 2.916 50 0 BFAARN CCCCC(=O)NC(=O)Nc1ccccc1 ZINC000002167120 168617053 /nfs/dbraw/zinc/61/70/53/168617053.db2.gz PYNVVJNPBFKWHY-UHFFFAOYSA-N 0 0 220.272 2.525 50 0 BFAARN Cc1ncc(-c2ccc(Cl)cc2)c(N)n1 ZINC000011737091 180121171 /nfs/dbraw/zinc/12/11/71/180121171.db2.gz LYKQKQGGANXOJD-UHFFFAOYSA-N 0 0 219.675 2.688 50 0 BFAARN CNc1ccc(Br)c(Cl)c1N ZINC000098179023 191061696 /nfs/dbraw/zinc/06/16/96/191061696.db2.gz KPKIFLPEBDSPIK-UHFFFAOYSA-N 0 0 235.512 2.726 50 0 BFAARN COc1ccc(-c2cnc(C)c(C)n2)cc1OC ZINC000426430614 191064349 /nfs/dbraw/zinc/06/43/49/191064349.db2.gz DKBUUHGPAIKJFY-UHFFFAOYSA-N 0 0 244.294 2.778 50 0 BFAARN c1cc2ncnc(N3CCCCC3)c2s1 ZINC000000116609 350186795 /nfs/dbraw/zinc/18/67/95/350186795.db2.gz VDKVQDPVFUEUFX-UHFFFAOYSA-N 0 0 219.313 2.682 50 0 BFAARN C/C=C/C=C\C(=O)Nc1ccccc1F ZINC000005826256 350202815 /nfs/dbraw/zinc/20/28/15/350202815.db2.gz HJPNEFCCPAZFNS-OQIXSKIXSA-N 0 0 205.232 2.897 50 0 BFAARN CCCCC(=O)NCc1ccc(F)cc1 ZINC000002082456 168620276 /nfs/dbraw/zinc/62/02/76/168620276.db2.gz QMCOCDXDFLCWDP-UHFFFAOYSA-N 0 0 209.264 2.632 50 0 BFAARN CCCCC(=O)N[C@@H](C)Cc1cccs1 ZINC000038935400 168622819 /nfs/dbraw/zinc/62/28/19/168622819.db2.gz ANAMRBZPGLBZGN-JTQLQIEISA-N 0 0 225.357 2.986 50 0 BFAARN Cc1ncccc1OCc1nnc(C2CCC2)o1 ZINC000097082598 180227736 /nfs/dbraw/zinc/22/77/36/180227736.db2.gz RGZMLKPFKWXFOS-UHFFFAOYSA-N 0 0 245.282 2.620 50 0 BFAARN FC(F)(F)Oc1cc(Cl)nc(Cl)n1 ZINC000034436171 350263881 /nfs/dbraw/zinc/26/38/81/350263881.db2.gz QAXVWUZCDWFCES-UHFFFAOYSA-N 0 0 232.976 2.682 50 0 BFAARN Cc1nccnc1SCc1ccco1 ZINC000002516012 180280310 /nfs/dbraw/zinc/28/03/10/180280310.db2.gz PFRSWMCUERVSAT-UHFFFAOYSA-N 0 0 206.270 2.670 50 0 endogenous,in-man BFAARN Clc1cnc(-c2cccc3c2OCC3)nc1 ZINC000426503130 191093661 /nfs/dbraw/zinc/09/36/61/191093661.db2.gz VUZCBXGQHUESCB-UHFFFAOYSA-N 0 0 232.670 2.732 50 0 BFAARN C(=CC1CCCCC1)c1ncnc2[nH]cnc21 ZINC000426518664 191093919 /nfs/dbraw/zinc/09/39/19/191093919.db2.gz DGGXEHXZCJBGQG-VOTSOKGWSA-N 0 0 228.299 2.946 50 0 BFAARN Cc1ncsc1C(=O)NC1CCCCCC1 ZINC000046565604 180302825 /nfs/dbraw/zinc/30/28/25/180302825.db2.gz XAHSKZILYUHRNM-UHFFFAOYSA-N 0 0 238.356 2.904 50 0 BFAARN Cc1ccsc1CN(C)C(=O)c1ccco1 ZINC000040461206 350364513 /nfs/dbraw/zinc/36/45/13/350364513.db2.gz MURQALYHEUHRFV-UHFFFAOYSA-N 0 0 235.308 2.922 50 0 BFAARN CC(C)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000040457628 350365864 /nfs/dbraw/zinc/36/58/64/350365864.db2.gz XOWQXUWCMYNDMY-UHFFFAOYSA-N 0 0 245.244 2.978 50 0 BFAARN Cc1ncsc1C(=O)OCc1ccsc1 ZINC000096442670 180306591 /nfs/dbraw/zinc/30/65/91/180306591.db2.gz ROUHNORYKKQJGN-UHFFFAOYSA-N 0 0 239.321 2.870 50 0 BFAARN Cc1ncsc1C(=O)OC1(C2CC2)CC1 ZINC000096447597 180306819 /nfs/dbraw/zinc/30/68/19/180306819.db2.gz CBWUEBGFBOWGQC-UHFFFAOYSA-N 0 0 223.297 2.551 50 0 BFAARN Cn1cnc(-c2ccccc2)cc1=S ZINC000000409862 350330464 /nfs/dbraw/zinc/33/04/64/350330464.db2.gz HRJCYAHALIXFKS-UHFFFAOYSA-N 0 0 202.282 2.817 50 0 BFAARN Cc1nn(-c2ccc(F)cc2F)c(C)c1C=O ZINC000019437635 180329459 /nfs/dbraw/zinc/32/94/59/180329459.db2.gz INEVOTSMFVMARO-UHFFFAOYSA-N 0 0 236.221 2.580 50 0 BFAARN Cc1nn(-c2cccc(Cl)c2)c(C)c1C=O ZINC000019481773 180329612 /nfs/dbraw/zinc/32/96/12/180329612.db2.gz FZBWBUFTEPDFBG-UHFFFAOYSA-N 0 0 234.686 2.955 50 0 BFAARN Cc1nn(C)c(C)c1CNc1ccccc1 ZINC000020085398 180342502 /nfs/dbraw/zinc/34/25/02/180342502.db2.gz RLZISTFGIBZFLL-UHFFFAOYSA-N 0 0 215.300 2.649 50 0 BFAARN Cc1nn(C)c(Cl)c1CNc1ccccc1 ZINC000058434545 180351984 /nfs/dbraw/zinc/35/19/84/180351984.db2.gz VAZQKYAABCGHKO-UHFFFAOYSA-N 0 0 235.718 2.994 50 0 BFAARN Cc1nccc(C(=O)OC[C@H]2CC=CC[C@@H]2C)n1 ZINC000079790603 187446669 /nfs/dbraw/zinc/44/66/69/187446669.db2.gz BURHNMUPWULKKC-CMPLNLGQSA-N 0 0 246.310 2.544 50 0 BFAARN C[C@@H](N(C)C(=O)c1ccco1)C(C)(C)C ZINC000032788127 350430435 /nfs/dbraw/zinc/43/04/35/350430435.db2.gz UDFMXIMOBHBERZ-SECBINFHSA-N 0 0 209.289 2.786 50 0 BFAARN Cc1nn(C)c2c1cccc2Br ZINC000036533443 180362130 /nfs/dbraw/zinc/36/21/30/180362130.db2.gz ITJITARZCHQKQK-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Cc1nn2cc(-c3ccc(F)cc3)nc2s1 ZINC000007994979 180394258 /nfs/dbraw/zinc/39/42/58/180394258.db2.gz PEDVFFXVANGNSM-UHFFFAOYSA-N 0 0 233.271 2.905 50 0 BFAARN Cc1nn(C[C@@H](O)c2ccccc2F)c(C)c1C ZINC000191389135 180390811 /nfs/dbraw/zinc/39/08/11/180390811.db2.gz VUJJXBKCNKWYFD-CQSZACIVSA-N 0 0 248.301 2.681 50 0 BFAARN CC1(C)c2ccccc2N2CCC(=O)N[C@@]21C ZINC000000518804 191109066 /nfs/dbraw/zinc/10/90/66/191109066.db2.gz ASXASADEFMUYPU-AWEZNQCLSA-N 0 0 230.311 2.861 50 0 biogenic BFAARN CC1N=NC(=S)N1Cc1ccc(Cl)cc1 ZINC000006790222 180438338 /nfs/dbraw/zinc/43/83/38/180438338.db2.gz AVCJFTJOJBLBNP-UHFFFAOYSA-N 0 0 239.731 2.577 50 0 BFAARN Cc1noc(NC(=O)CCC2CCCCC2)n1 ZINC000042703379 180492157 /nfs/dbraw/zinc/49/21/57/180492157.db2.gz AAYZJOLCMSJKTF-UHFFFAOYSA-N 0 0 237.303 2.677 50 0 BFAARN Cc1noc([C@@H](C)Oc2cccc(F)c2)n1 ZINC000069658912 180496739 /nfs/dbraw/zinc/49/67/39/180496739.db2.gz OEMDODYJULRGLI-SSDOTTSWSA-N 0 0 222.219 2.657 50 0 BFAARN C=CS(=O)(=O)[C@H](CC)CCCCC ZINC000005503050 191122030 /nfs/dbraw/zinc/12/20/30/191122030.db2.gz XEUWJNJWOCSSAW-SNVBAGLBSA-N 0 0 204.335 2.904 50 0 BFAARN CCc1ccc(-c2nc(CO)c(C)o2)cc1 ZINC000167931511 350790917 /nfs/dbraw/zinc/79/09/17/350790917.db2.gz QADIZZVOCUAUPM-UHFFFAOYSA-N 0 0 217.268 2.705 50 0 BFAARN COc1ccc(/C=C(\SC)[S@](C)=O)cc1 ZINC000210999531 350930948 /nfs/dbraw/zinc/93/09/48/350930948.db2.gz YFURDRITMJHYBS-SHQCLWGWSA-N 0 0 242.365 2.735 50 0 BFAARN CSc1ccccc1NC(=O)[C@@H]1CCCO1 ZINC000001053916 350990688 /nfs/dbraw/zinc/99/06/88/350990688.db2.gz BQDACGQLUTWKJM-JTQLQIEISA-N 0 0 237.324 2.526 50 0 BFAARN Cc1occc1-c1nc2n(n1)Cc1ccccc1-2 ZINC000012372532 180535315 /nfs/dbraw/zinc/53/53/15/180535315.db2.gz VYEWTRBBMCFDEK-UHFFFAOYSA-N 0 0 237.262 2.875 50 0 BFAARN Cc1onc(/C=C/c2ccc(F)cc2)c1N ZINC000022149771 180551787 /nfs/dbraw/zinc/55/17/87/180551787.db2.gz UZOUHPKSLLWSOZ-QPJJXVBHSA-N 0 0 218.231 2.875 50 0 BFAARN CC(C)(C)OC(=O)CCSCc1ccon1 ZINC000225641704 191133127 /nfs/dbraw/zinc/13/31/27/191133127.db2.gz FJOGSMVGHJXRQR-UHFFFAOYSA-N 0 0 243.328 2.640 50 0 BFAARN Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)no1 ZINC000041591601 351360918 /nfs/dbraw/zinc/36/09/18/351360918.db2.gz AZZZYRWGWNOQJN-RYUDHWBXSA-N 0 0 248.326 2.635 50 0 BFAARN Cc1cc(CSc2nc(C)c(C)o2)no1 ZINC000058760651 351473549 /nfs/dbraw/zinc/47/35/49/351473549.db2.gz NLHFHKNKZUCJFL-UHFFFAOYSA-N 0 0 224.285 2.880 50 0 BFAARN CCOc1ccc(-c2ncccc2O)cc1 ZINC000000186934 363049178 /nfs/dbraw/zinc/04/91/78/363049178.db2.gz XWPRLLONNDOZNE-UHFFFAOYSA-N 0 0 215.252 2.853 50 0 BFAARN Clc1nnc(Cl)c2c1CCCC2 ZINC000032106652 180604243 /nfs/dbraw/zinc/60/42/43/180604243.db2.gz KLFNXIXNWZZRLE-UHFFFAOYSA-N 0 0 203.072 2.662 50 0 BFAARN Clc1nsc(NC2CCCCC2)n1 ZINC000024767644 180604587 /nfs/dbraw/zinc/60/45/87/180604587.db2.gz XJMPHZSZXKGCHF-UHFFFAOYSA-N 0 0 217.725 2.936 50 0 BFAARN Cn1c2ncc(C(F)(F)F)cc2[nH]c1=S ZINC000000123209 180613052 /nfs/dbraw/zinc/61/30/52/180613052.db2.gz XVXFGBWEKGWGTN-UHFFFAOYSA-N 0 0 233.218 2.650 50 0 BFAARN Cn1c2cccc(Br)c2[nH]c1=S ZINC000169620368 180613277 /nfs/dbraw/zinc/61/32/77/180613277.db2.gz BDUCYHATQWIKFV-UHFFFAOYSA-N 0 0 243.129 2.998 50 0 BFAARN C/C=C\C[S@](=O)CCc1ccc(OC)cc1 ZINC000577628835 366025339 /nfs/dbraw/zinc/02/53/39/366025339.db2.gz GSJUXIOGVLZTMR-QGZUEGPWSA-N 0 0 238.352 2.563 50 0 BFAARN Cn1cc(C=O)c(-c2ccc(Cl)cc2)n1 ZINC000008133028 180636098 /nfs/dbraw/zinc/63/60/98/180636098.db2.gz SOTUVCYBLZTSTG-UHFFFAOYSA-N 0 0 220.659 2.553 50 0 in-vitro BFAARN Cn1cc(C(=O)NC(C)(C)C)c2ccccc21 ZINC000032738570 180632294 /nfs/dbraw/zinc/63/22/94/180632294.db2.gz PDRFFIUYCFWPEF-UHFFFAOYSA-N 0 0 230.311 2.707 50 0 BFAARN CC(C)COc1c(F)ccc(O)c1F ZINC000261494388 187506064 /nfs/dbraw/zinc/50/60/64/187506064.db2.gz WJJOEPDYGBMHDF-UHFFFAOYSA-N 0 0 202.200 2.705 50 0 BFAARN Cc1ccc(N[C@@H](C(N)=O)c2ccccc2)cc1 ZINC000012540835 352044145 /nfs/dbraw/zinc/04/41/45/352044145.db2.gz BHLHTMCGQAJHSU-CQSZACIVSA-N 0 0 240.306 2.634 50 0 BFAARN O=C([C@H]1CC=CCC1)N1CCc2sccc2C1 ZINC000012553556 352132528 /nfs/dbraw/zinc/13/25/28/352132528.db2.gz WWKUGXKWNFCBJZ-NSHDSACASA-N 0 0 247.363 2.989 50 0 BFAARN COC(=O)c1c(C)ccc(Br)c1C ZINC000039403559 363145852 /nfs/dbraw/zinc/14/58/52/363145852.db2.gz PAAMRJWZTZAXAO-UHFFFAOYSA-N 0 0 243.100 2.853 50 0 BFAARN C[C@@H](Cc1ccco1)NC(=O)Oc1ccccc1 ZINC000044443807 352326157 /nfs/dbraw/zinc/32/61/57/352326157.db2.gz IOMOYRADBPKFHG-NSHDSACASA-N 0 0 245.278 2.999 50 0 BFAARN CC[C@@H](C)C(=O)NCc1ccccc1C ZINC000044895861 352487537 /nfs/dbraw/zinc/48/75/37/352487537.db2.gz QCKDBNOYNGKQFL-SNVBAGLBSA-N 0 0 205.301 2.657 50 0 BFAARN Cc1ccc(C)c(NC(=O)C(F)(F)F)c1 ZINC000000482142 187755690 /nfs/dbraw/zinc/75/56/90/187755690.db2.gz KFUHMDMHSVWBTG-UHFFFAOYSA-N 0 0 217.190 2.804 50 0 BFAARN Cc1ccc(CNC(=O)Nc2cccnc2)cc1 ZINC000009220408 187759441 /nfs/dbraw/zinc/75/94/41/187759441.db2.gz ZWVIQKNIVOOEPN-UHFFFAOYSA-N 0 0 241.294 2.712 50 0 BFAARN CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000036396691 187760248 /nfs/dbraw/zinc/76/02/48/187760248.db2.gz ALBNAMOVZDKRBH-GFCCVEGCSA-N 0 0 209.264 2.659 50 0 BFAARN Cc1cc(C[S@@](=O)Cc2cccc(C)c2)no1 ZINC000071846909 187788231 /nfs/dbraw/zinc/78/82/31/187788231.db2.gz QTNSKNLGOQVQCZ-QGZVFWFLSA-N 0 0 249.335 2.740 50 0 BFAARN CC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000023927558 187831586 /nfs/dbraw/zinc/83/15/86/187831586.db2.gz WSYPVWZYSIODQX-MRVPVSSYSA-N 0 0 203.241 2.630 50 0 BFAARN CC[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000000030580 188098599 /nfs/dbraw/zinc/09/85/99/188098599.db2.gz OICBYWFQUKULES-CYBMUJFWSA-N 0 0 217.312 2.803 50 0 BFAARN OC(c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000000157910 188099121 /nfs/dbraw/zinc/09/91/21/188099121.db2.gz IZPIZCAYJQCTNG-UHFFFAOYSA-N 0 0 244.134 2.999 50 0 BFAARN NC(=S)c1ccc(C2SCCS2)cc1 ZINC000000076610 188099169 /nfs/dbraw/zinc/09/91/69/188099169.db2.gz DUMZFFFGXHYMOZ-UHFFFAOYSA-N 0 0 241.406 2.799 50 0 BFAARN Cc1nn(Cc2ccccc2Cl)c(C)c1N ZINC000000214849 188099264 /nfs/dbraw/zinc/09/92/64/188099264.db2.gz MNUSNANEFYOHHG-UHFFFAOYSA-N 0 0 235.718 2.784 50 0 BFAARN CC(=O)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000000449426 188099537 /nfs/dbraw/zinc/09/95/37/188099537.db2.gz YTKNYOWCICFXOW-UHFFFAOYSA-N 0 0 246.093 2.911 50 0 BFAARN CCC(=O)NC(=S)Nc1cccc(Cl)c1 ZINC000000455701 188099654 /nfs/dbraw/zinc/09/96/54/188099654.db2.gz JBAOCZQRDJEREM-UHFFFAOYSA-N 0 0 242.731 2.563 50 0 BFAARN CC(C)N(C(=O)Cc1cccs1)C(C)C ZINC000000311123 188099911 /nfs/dbraw/zinc/09/99/11/188099911.db2.gz DVVFTAMQSZGENH-UHFFFAOYSA-N 0 0 225.357 2.936 50 0 BFAARN CC(C)Cn1c2ccccc2nc1[C@@H](C)O ZINC000000210231 188099988 /nfs/dbraw/zinc/09/99/88/188099988.db2.gz AJEPMHCNHZHBDI-SNVBAGLBSA-N 0 0 218.300 2.746 50 0 BFAARN Cc1ccnc(NC(=O)c2ccccc2C)c1 ZINC000000395814 188100006 /nfs/dbraw/zinc/10/00/06/188100006.db2.gz CZNISKNVRARDQF-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN CC(C)(C)c1cc(N)n(-c2ccc(F)cc2)n1 ZINC000002527280 188101035 /nfs/dbraw/zinc/10/10/35/188101035.db2.gz BYZGQEFEOZXWRO-UHFFFAOYSA-N 0 0 233.290 2.891 50 0 BFAARN CC1(C)OC(=O)N2c3ccccc3N[C@@]21C ZINC000003117611 188101300 /nfs/dbraw/zinc/10/13/00/188101300.db2.gz JKRBDABZPIENTF-LBPRGKRZSA-N 0 0 218.256 2.564 50 0 BFAARN O=C1NC(=O)C(=Cc2cc3ccccc3o2)S1 ZINC000004110180 188101913 /nfs/dbraw/zinc/10/19/13/188101913.db2.gz JMRQNSULIHRDLN-POHAHGRESA-N 0 0 245.259 2.757 50 0 BFAARN O=c1[nH]c(-c2cccc(F)c2)nc2ccccc21 ZINC000005939834 188102630 /nfs/dbraw/zinc/10/26/30/188102630.db2.gz SZXYHOIFTIWFNM-UHFFFAOYSA-N 0 0 240.237 2.729 50 0 BFAARN Cc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)o1 ZINC000005618442 188102903 /nfs/dbraw/zinc/10/29/03/188102903.db2.gz CEJRJPOCDXJGHC-NXEZZACHSA-N 0 0 221.300 2.991 50 0 BFAARN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCO1 ZINC000006278550 188103267 /nfs/dbraw/zinc/10/32/67/188103267.db2.gz FLVMCWCPQUIHLQ-LLVKDONJSA-N 0 0 239.702 2.766 50 0 BFAARN COc1ccccc1NC(=O)OCC(F)(F)F ZINC000009256642 188104172 /nfs/dbraw/zinc/10/41/72/188104172.db2.gz BUJPILRLKDZPEJ-UHFFFAOYSA-N 0 0 249.188 2.806 50 0 BFAARN CC(=O)N1CCCSc2ccccc21 ZINC000012879082 188104747 /nfs/dbraw/zinc/10/47/47/188104747.db2.gz BDTBLAHMADZSML-UHFFFAOYSA-N 0 0 207.298 2.535 50 0 BFAARN S=C1N=NC(c2cccc(Cl)c2)O1 ZINC000018323877 188106659 /nfs/dbraw/zinc/10/66/59/188106659.db2.gz NGUFILSIVAEODZ-UHFFFAOYSA-N 0 0 212.661 2.679 50 0 BFAARN CCN(CC)c1ccc(Br)cc1N ZINC000019475390 188108135 /nfs/dbraw/zinc/10/81/35/188108135.db2.gz NEPCVZOOLZDMQJ-UHFFFAOYSA-N 0 0 243.148 2.878 50 0 BFAARN C[NH+](C)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC000019851453 188108269 /nfs/dbraw/zinc/10/82/69/188108269.db2.gz IBHHIABVMOAELM-UHFFFAOYSA-N 0 0 220.099 2.761 50 0 BFAARN CC(=O)c1ccc(O[C@H]2CCCCO2)cc1 ZINC000026522378 188109748 /nfs/dbraw/zinc/10/97/48/188109748.db2.gz FOSIJJWHNJBMAA-ZDUSSCGKSA-N 0 0 220.268 2.795 50 0 BFAARN C/C=C/C=C/C(=O)Nc1ccc2c(c1)CCO2 ZINC000027126394 188110326 /nfs/dbraw/zinc/11/03/26/188110326.db2.gz ZLWRRSATIKYIFP-MQQKCMAXSA-N 0 0 229.279 2.692 50 0 BFAARN COc1ccccc1NC(=O)CC[C@H]1CCCO1 ZINC000031872451 188110764 /nfs/dbraw/zinc/11/07/64/188110764.db2.gz GJYVEFWWLRYXBU-LLVKDONJSA-N 0 0 249.310 2.593 50 0 BFAARN C[C@H]1C[C@H]1c1cc(N)n(-c2ccccc2)n1 ZINC000036938407 188113093 /nfs/dbraw/zinc/11/30/93/188113093.db2.gz ZWVAZCFZYJSBEE-GXSJLCMTSA-N 0 0 213.284 2.578 50 0 BFAARN Cn1nc(-c2cccc(C(F)(F)F)c2)cc1N ZINC000036938266 188113407 /nfs/dbraw/zinc/11/34/07/188113407.db2.gz QROZNIWVOVXYSY-UHFFFAOYSA-N 0 0 241.216 2.688 50 0 BFAARN CC(=O)NCCc1c(C)[nH]c2c1c(C)ccc2C ZINC000072265342 188114840 /nfs/dbraw/zinc/11/48/40/188114840.db2.gz RDOMRJOIKIVABC-UHFFFAOYSA-N 0 0 244.338 2.772 50 0 BFAARN CC(C)c1cccc(Br)n1 ZINC000040448742 188117870 /nfs/dbraw/zinc/11/78/70/188117870.db2.gz GNBUFPXDJYBELS-UHFFFAOYSA-N 0 0 200.079 2.968 50 0 BFAARN CCCn1ccnc1SC[C@H]1CCCCO1 ZINC000040473920 188118665 /nfs/dbraw/zinc/11/86/65/188118665.db2.gz HFUJSNJHRNVYJI-LLVKDONJSA-N 0 0 240.372 2.954 50 0 BFAARN CC(C)(C)OC(=O)n1ncc2cccc(F)c21 ZINC000090558662 188144015 /nfs/dbraw/zinc/14/40/15/188144015.db2.gz FCONSWGCHISOGR-UHFFFAOYSA-N 0 0 236.246 2.959 50 0 BFAARN CC(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000089930517 188144592 /nfs/dbraw/zinc/14/45/92/188144592.db2.gz GIHSEHCHZFGZRV-CYBMUJFWSA-N 0 0 209.333 2.968 50 0 BFAARN CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000055524117 188126664 /nfs/dbraw/zinc/12/66/64/188126664.db2.gz HLRMXIMGJPUMPJ-GFCCVEGCSA-N 0 0 237.730 2.893 50 0 BFAARN CN(C(=O)Cc1ccsc1)C1CCCC1 ZINC000055483326 188127333 /nfs/dbraw/zinc/12/73/33/188127333.db2.gz KXBIGUOKGQXEKN-UHFFFAOYSA-N 0 0 223.341 2.692 50 0 BFAARN C(=C/c1ccnc(N2CCCC2)n1)\c1ccco1 ZINC000067320899 188129471 /nfs/dbraw/zinc/12/94/71/188129471.db2.gz KCCBCIZDFJOKSQ-AATRIKPKSA-N 0 0 241.294 2.840 50 0 BFAARN FC(F)(F)CCc1ccnc(-c2ccc[nH]2)n1 ZINC000071404111 180882015 /nfs/dbraw/zinc/88/20/15/180882015.db2.gz SOKASMPSZFYSCC-UHFFFAOYSA-N 0 0 241.216 2.967 50 0 BFAARN CC1(C)C(=O)C[C@H]1OCc1ccccc1 ZINC000085504396 188142909 /nfs/dbraw/zinc/14/29/09/188142909.db2.gz OQYCKJLAKYHLTP-GFCCVEGCSA-N 0 0 204.269 2.571 50 0 BFAARN CCn1nc(C)cc1C(=O)C1CCCCC1 ZINC000044126310 188152624 /nfs/dbraw/zinc/15/26/24/188152624.db2.gz MUSCEJZNRNHXDL-UHFFFAOYSA-N 0 0 220.316 2.974 50 0 BFAARN CC(=O)OC[C@]12CO[C@H](C)[C@H](C1)C(C)=C[C@@H]2C ZINC000004012224 188156829 /nfs/dbraw/zinc/15/68/29/188156829.db2.gz FLTREWUZEUGCGE-OIMNJJJWSA-N 0 0 238.327 2.557 50 0 biogenic BFAARN CCOC(=O)c1ccccc1NC(=O)C(C)(C)C ZINC000004159860 188157066 /nfs/dbraw/zinc/15/70/66/188157066.db2.gz IPIAAPZXBHHMGU-UHFFFAOYSA-N 0 0 249.310 2.848 50 0 BFAARN CCCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000000914905 188157421 /nfs/dbraw/zinc/15/74/21/188157421.db2.gz OEPCJWLOFJGPID-UHFFFAOYSA-N 0 0 248.351 2.747 50 0 BFAARN FC(F)(F)c1cccc(Br)n1 ZINC000002526214 180894451 /nfs/dbraw/zinc/89/44/51/180894451.db2.gz DOWNSQADAFSSAR-UHFFFAOYSA-N 0 0 225.995 2.863 50 0 BFAARN FC(F)(F)c1ccnc(NCc2ccco2)n1 ZINC000004324180 180896845 /nfs/dbraw/zinc/89/68/45/180896845.db2.gz LWYWHWROPISHLI-UHFFFAOYSA-N 0 0 243.188 2.701 50 0 BFAARN CCCCc1c(C)nc(SCCC)[nH]c1=O ZINC000018190934 188172332 /nfs/dbraw/zinc/17/23/32/188172332.db2.gz DUJNKTVNGKPTTB-UHFFFAOYSA-N 0 0 240.372 2.923 50 0 BFAARN C/C=C\CS(=O)(=O)Cc1ccc(C)c(C)c1 ZINC000098052938 188148563 /nfs/dbraw/zinc/14/85/63/188148563.db2.gz OTLALAXZFYLXBK-PLNGDYQASA-N 0 0 238.352 2.794 50 0 BFAARN CSC[C@@H](C)N(C)c1cccc(C)n1 ZINC000097163316 188148849 /nfs/dbraw/zinc/14/88/49/188148849.db2.gz OIQGCYLDKLNZEO-SNVBAGLBSA-N 0 0 210.346 2.578 50 0 BFAARN CC(=O)Cc1ccc(OCC(C)C)cc1 ZINC000058002396 188179160 /nfs/dbraw/zinc/17/91/60/188179160.db2.gz QYYVJNNQGGWQQK-UHFFFAOYSA-N 0 0 206.285 2.853 50 0 BFAARN c1[nH]nnc1SCCSc1ccccc1 ZINC000095463598 188187923 /nfs/dbraw/zinc/18/79/23/188187923.db2.gz VBYOVMDGXVZLKL-UHFFFAOYSA-N 0 0 237.353 2.689 50 0 BFAARN CC(=O)OSC(C)(C)[C@H]1CC[C@@H](C)CC1=O ZINC000238791369 188191617 /nfs/dbraw/zinc/19/16/17/188191617.db2.gz HGSQLXVPGSWSBL-SCZZXKLOSA-N 0 0 244.356 2.982 50 0 BFAARN CC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000030899339 188216429 /nfs/dbraw/zinc/21/64/29/188216429.db2.gz IUWSQBIPROMMON-UHFFFAOYSA-N 0 0 219.284 2.966 50 0 BFAARN FC(F)(F)c1ccc(N2CC(F)(F)C2)cn1 ZINC000169725754 180919008 /nfs/dbraw/zinc/91/90/08/180919008.db2.gz ZHOPJVYEYSOIKR-UHFFFAOYSA-N 0 0 238.159 2.556 50 0 BFAARN Cc1nc(Cl)c(N)c(NC2CCCCC2)n1 ZINC000012741219 353418799 /nfs/dbraw/zinc/41/87/99/353418799.db2.gz APWQYNLYQDPBEA-UHFFFAOYSA-N 0 0 240.738 2.765 50 0 BFAARN Fc1cc(OC(F)F)cnc1Br ZINC000263623001 180954754 /nfs/dbraw/zinc/95/47/54/180954754.db2.gz CUDKSPGWWMJMAR-UHFFFAOYSA-N 0 0 241.994 2.585 50 0 BFAARN Fc1ccc(-c2cnc3ncccn23)cc1 ZINC000042827192 180958942 /nfs/dbraw/zinc/95/89/42/180958942.db2.gz CEOJHFISFKOFKV-UHFFFAOYSA-N 0 0 213.215 2.535 50 0 BFAARN Fc1ccc(OC(F)F)c(Br)n1 ZINC000263625131 180979321 /nfs/dbraw/zinc/97/93/21/180979321.db2.gz XBBQPHPNUDNQMJ-UHFFFAOYSA-N 0 0 241.994 2.585 50 0 BFAARN Cc1cccc(C(=O)Nc2ccncc2)c1C ZINC000017584829 188428322 /nfs/dbraw/zinc/42/83/22/188428322.db2.gz FRXWSPBWQXAZHM-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1ccc(C(=O)n2cnc3ccccc32)o1 ZINC000000442310 188454371 /nfs/dbraw/zinc/45/43/71/188454371.db2.gz IFLZKZXPXNGAPB-UHFFFAOYSA-N 0 0 226.235 2.626 50 0 BFAARN Cc1cc(Cl)ccc1NC(=O)c1cnccn1 ZINC000000496770 188454462 /nfs/dbraw/zinc/45/44/62/188454462.db2.gz QYYRGJLNRHAFOS-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)o1 ZINC000018152864 188460809 /nfs/dbraw/zinc/46/08/09/188460809.db2.gz CEJRJPOCDXJGHC-AOOOYVTPSA-N 0 0 221.300 2.991 50 0 BFAARN CC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000020269421 188462471 /nfs/dbraw/zinc/46/24/71/188462471.db2.gz SCYTUZAXEFMDQM-UHFFFAOYSA-N 0 0 207.660 2.953 50 0 BFAARN CCCCSc1cc(N)ccc1C(=O)NC ZINC000022863250 188464500 /nfs/dbraw/zinc/46/45/00/188464500.db2.gz MIZBXADTWPUFQK-UHFFFAOYSA-N 0 0 238.356 2.521 50 0 BFAARN O=c1[nH]c(Cl)nc2ccc(Cl)cc21 ZINC000026899499 188464788 /nfs/dbraw/zinc/46/47/88/188464788.db2.gz SHJZIBHISYWVLR-UHFFFAOYSA-N 0 0 215.039 2.642 50 0 BFAARN O=C(NCc1ccc(Cl)cc1)c1cccnc1 ZINC000000290774 188453743 /nfs/dbraw/zinc/45/37/43/188453743.db2.gz DLHGUNPTGONJRD-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN CNC(=O)c1ccccc1COc1ccccc1 ZINC000040458880 188474964 /nfs/dbraw/zinc/47/49/64/188474964.db2.gz ZNPVJOYRUWUJLO-UHFFFAOYSA-N 0 0 241.290 2.625 50 0 BFAARN Fc1cccc([C@H]2C[C@H](Nc3cnccn3)C2)c1 ZINC000280870497 181004278 /nfs/dbraw/zinc/00/42/78/181004278.db2.gz ZZOSYMLKKWPABS-AULYBMBSSA-N 0 0 243.285 2.974 50 0 BFAARN Clc1nc(Cl)nc(NC2CCCC2)n1 ZINC000061053112 188485033 /nfs/dbraw/zinc/48/50/33/188485033.db2.gz PYDHLMXXIISJAV-UHFFFAOYSA-N 0 0 233.102 2.533 50 0 BFAARN CC(C)=CC(=O)N1CCc2ccccc2C1 ZINC000046464088 353708122 /nfs/dbraw/zinc/70/81/22/353708122.db2.gz GSYGFIIBSBONAR-UHFFFAOYSA-N 0 0 215.296 2.538 50 0 BFAARN O=C(CCCc1cccs1)N1CCCC1 ZINC000046466804 353716731 /nfs/dbraw/zinc/71/67/31/353716731.db2.gz IMHINHYMDSCVKL-UHFFFAOYSA-N 0 0 223.341 2.693 50 0 BFAARN Fc1cccc(NC2N=NC(=S)S2)c1 ZINC000004205865 181002641 /nfs/dbraw/zinc/00/26/41/181002641.db2.gz YDRHTJMIYMLUAB-UHFFFAOYSA-N 0 0 227.289 2.710 50 0 BFAARN Fc1ccccc1CNCc1ccco1 ZINC000000268553 181012968 /nfs/dbraw/zinc/01/29/68/181012968.db2.gz KADMHCTXMCVDHE-UHFFFAOYSA-N 0 0 205.232 2.709 50 0 BFAARN Fc1ccccc1C1=CSC2=NCCN12 ZINC000102193961 181010323 /nfs/dbraw/zinc/01/03/23/181010323.db2.gz YSFZEOANTIQYOK-UHFFFAOYSA-N 0 0 220.272 2.543 50 0 BFAARN C/C=C\CSCC(=O)N[C@H](C)c1ccco1 ZINC000098055813 188502736 /nfs/dbraw/zinc/50/27/36/188502736.db2.gz UKNPALACWZRMNG-UMBAGQNISA-N 0 0 239.340 2.766 50 0 BFAARN Cc1cc([C@@H](C)NC(=O)N2CCC2)c(C)s1 ZINC000046601750 353799444 /nfs/dbraw/zinc/79/94/44/353799444.db2.gz JWDXVQMZTLBMRW-SECBINFHSA-N 0 0 238.356 2.841 50 0 BFAARN Fc1cnc(Cl)nc1NCc1ccccc1 ZINC000002311207 181017770 /nfs/dbraw/zinc/01/77/70/181017770.db2.gz WADKWFHHPPUKBC-UHFFFAOYSA-N 0 0 237.665 2.881 50 0 BFAARN CCC(=O)Nc1ccc(OC(C)C)cc1 ZINC000003163471 188518574 /nfs/dbraw/zinc/51/85/74/188518574.db2.gz HCZZGQIEXQFZIH-UHFFFAOYSA-N 0 0 207.273 2.822 50 0 BFAARN CSc1ccc(NC(=O)NC2CC2)cc1 ZINC000000399293 363293543 /nfs/dbraw/zinc/29/35/43/363293543.db2.gz KZMIINQLXYAXQY-UHFFFAOYSA-N 0 0 222.313 2.692 50 0 BFAARN CC(=O)OSC(C)(C)[C@H]1CC[C@H](C)CC1=O ZINC000238791371 188548308 /nfs/dbraw/zinc/54/83/08/188548308.db2.gz HGSQLXVPGSWSBL-WPRPVWTQSA-N 0 0 244.356 2.982 50 0 BFAARN CCN(CC)C(=O)Nc1ccccc1C ZINC000003958905 363364731 /nfs/dbraw/zinc/36/47/31/363364731.db2.gz XVISAHSGRUDYSD-UHFFFAOYSA-N 0 0 206.289 2.869 50 0 BFAARN C[C@H](N(C)C(=O)c1ccncc1)C(C)(C)C ZINC000032788109 354580978 /nfs/dbraw/zinc/58/09/78/354580978.db2.gz OTUMZZSIVCYZQD-JTQLQIEISA-N 0 0 220.316 2.588 50 0 BFAARN O=c1[nH]c(C(F)(F)F)ccc1-c1cccnc1 ZINC000047213821 355366821 /nfs/dbraw/zinc/36/68/21/355366821.db2.gz FTBWELPGRIETLY-UHFFFAOYSA-N 0 0 240.184 2.868 50 0 BFAARN Nc1nc(C(F)(F)F)ccc1-c1ccncc1 ZINC000047212438 355367042 /nfs/dbraw/zinc/36/70/42/355367042.db2.gz PBFDOYJKCWFHPK-UHFFFAOYSA-N 0 0 239.200 2.745 50 0 BFAARN CC[C@@H](C)NC(=O)CCc1ccccc1F ZINC000047220082 355367590 /nfs/dbraw/zinc/36/75/90/355367590.db2.gz FHZPQMKISWKPIG-SNVBAGLBSA-N 0 0 223.291 2.673 50 0 BFAARN Cc1sc(=NN)[nH]c1-c1ccc(F)cc1 ZINC000004293981 355402121 /nfs/dbraw/zinc/40/21/21/355402121.db2.gz XTXXGLLCHPERLO-UHFFFAOYSA-N 0 0 223.276 2.543 50 0 BFAARN CC(C)n1ccc(NC(=O)Nc2ccccc2)n1 ZINC000335789013 355440037 /nfs/dbraw/zinc/44/00/37/355440037.db2.gz JJKJQZOLMKADFH-UHFFFAOYSA-N 0 0 244.298 2.530 50 0 BFAARN CO[C@@H](C)c1cccc(-c2cc(C)nc(N)n2)c1 ZINC000032516085 355555093 /nfs/dbraw/zinc/55/50/93/355555093.db2.gz CTMAXPALPRJMHU-JTQLQIEISA-N 0 0 243.310 2.742 50 0 BFAARN NC(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000067899963 181211606 /nfs/dbraw/zinc/21/16/06/181211606.db2.gz FIRQSWVNPHDZGQ-CMDGGOBGSA-N 0 0 231.295 2.507 50 0 BFAARN CC[C@@H](C)NC(=O)c1ccc(Cl)s1 ZINC000012881479 355837561 /nfs/dbraw/zinc/83/75/61/355837561.db2.gz LSPXAQVEWZZJNT-ZCFIWIBFSA-N 0 0 217.721 2.930 50 0 BFAARN Cc1ccc(C)c([C@H](O)c2cccnc2)c1 ZINC000040248380 355865259 /nfs/dbraw/zinc/86/52/59/355865259.db2.gz RFRKJZZSLYVMLZ-CQSZACIVSA-N 0 0 213.280 2.780 50 0 BFAARN NC(=O)C1C(c2ccccc2)=C1c1ccccc1 ZINC000000286156 181216742 /nfs/dbraw/zinc/21/67/42/181216742.db2.gz NAQXDYZMZOAQDQ-UHFFFAOYSA-N 0 0 235.286 2.713 50 0 BFAARN NC(=O)N1CCC(CCCc2ccccc2)CC1 ZINC000004290644 181250680 /nfs/dbraw/zinc/25/06/80/181250680.db2.gz WTFXWITWEWXHAW-UHFFFAOYSA-N 0 0 246.354 2.800 50 0 BFAARN NC(=O)Nc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000004783844 181262386 /nfs/dbraw/zinc/26/23/86/181262386.db2.gz APEKMQPTADUBPH-UHFFFAOYSA-N 0 0 229.283 2.537 50 0 BFAARN NC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000076081803 181262993 /nfs/dbraw/zinc/26/29/93/181262993.db2.gz OREOEKQIEWQTRI-UHFFFAOYSA-N 0 0 238.262 2.638 50 0 BFAARN O=C(CCc1ccccc1O)Nc1ccccc1 ZINC000012867324 356345115 /nfs/dbraw/zinc/34/51/15/356345115.db2.gz IQLBYXYIRNJHIM-UHFFFAOYSA-N 0 0 241.290 2.964 50 0 BFAARN Cc1ccc(NC(=O)NC(C)C)c(C)c1 ZINC000000396274 356358262 /nfs/dbraw/zinc/35/82/62/356358262.db2.gz MUWGCUBAHCXSMX-UHFFFAOYSA-N 0 0 206.289 2.833 50 0 BFAARN O=S1(=O)Cc2ccccc2-c2ccccc2C1 ZINC000001717902 356365222 /nfs/dbraw/zinc/36/52/22/356365222.db2.gz KBLXMVZQBOKWNU-UHFFFAOYSA-N 0 0 244.315 2.782 50 0 BFAARN NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000068719923 181273520 /nfs/dbraw/zinc/27/35/20/181273520.db2.gz QQDVXAGMYJRYEN-RNFRBKRXSA-N 0 0 230.094 2.582 50 0 BFAARN NC(=O)[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000000093985 181282233 /nfs/dbraw/zinc/28/22/33/181282233.db2.gz FUZYTVDVLBBXDL-VIFPVBQESA-N 0 0 248.713 2.727 50 0 investigational BFAARN Cc1cnc(COc2cccc(F)c2F)o1 ZINC000150996012 356628924 /nfs/dbraw/zinc/62/89/24/356628924.db2.gz MEVISNQKOWRVFE-UHFFFAOYSA-N 0 0 225.194 2.840 50 0 BFAARN C[C@H]1CCCCC[C@@H]1Nc1ncccn1 ZINC000083949616 538526259 /nfs/dbraw/zinc/52/62/59/538526259.db2.gz ULKLEJFHKDMDOU-QWRGUYRKSA-N 0 0 205.305 2.857 50 0 BFAARN CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000084174754 538529516 /nfs/dbraw/zinc/52/95/16/538529516.db2.gz DFFFKVZRWYAMTJ-UHFFFAOYSA-N 0 0 243.310 2.756 50 0 BFAARN CC(C)(C)SCC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000089917673 538587770 /nfs/dbraw/zinc/58/77/70/538587770.db2.gz RCPQPOJTVXHDLW-AOOOYVTPSA-N 0 0 241.400 2.633 50 0 BFAARN CNC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000092760126 538597628 /nfs/dbraw/zinc/59/76/28/538597628.db2.gz RKLNBHPNGJEPTR-HIFRSBDPSA-N 0 0 244.338 2.727 50 0 BFAARN CC(=O)N(C)[C@@H](c1ccc(F)cc1)C1CC1 ZINC000095399677 538606514 /nfs/dbraw/zinc/60/65/14/538606514.db2.gz PRFYHEAVJXWUSS-CYBMUJFWSA-N 0 0 221.275 2.755 50 0 BFAARN Cc1ccc([C@H](C)C(=O)N2CCCC2)s1 ZINC000095963315 538610590 /nfs/dbraw/zinc/61/05/90/538610590.db2.gz VXRFOXXFFBRENT-JTQLQIEISA-N 0 0 223.341 2.782 50 0 BFAARN Cc1ccccc1CC1CN(C(=O)[C@H]2C[C@H]2C)C1 ZINC000095964641 538611109 /nfs/dbraw/zinc/61/11/09/538611109.db2.gz HPFFZBUQONATJE-DOMZBBRYSA-N 0 0 243.350 2.652 50 0 BFAARN CC[C@H](C)S(=O)(=O)Nc1cccc(Cl)c1 ZINC000075106592 356835525 /nfs/dbraw/zinc/83/55/25/356835525.db2.gz LNRDLXIYUMZGGJ-QMMMGPOBSA-N 0 0 247.747 2.880 50 0 BFAARN Cc1ccc2c(c1)S[C@H](C(=O)NC(C)C)C2 ZINC000012875564 538776340 /nfs/dbraw/zinc/77/63/40/538776340.db2.gz HVIPHORZVMRVED-LBPRGKRZSA-N 0 0 235.352 2.536 50 0 BFAARN COc1cccc(Oc2cc(C)nc(C)n2)c1 ZINC000012552426 538766779 /nfs/dbraw/zinc/76/67/79/538766779.db2.gz GZIQFQUSBGHZFA-UHFFFAOYSA-N 0 0 230.267 2.894 50 0 BFAARN Cc1ccoc1C(=O)Nc1ccc(C)cn1 ZINC000021877240 357053244 /nfs/dbraw/zinc/05/32/44/357053244.db2.gz FFCYMHRANKSPKF-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN CC1CCN(C(=O)CSC(C)(C)C)CC1 ZINC000012927264 538778045 /nfs/dbraw/zinc/77/80/45/538778045.db2.gz CDAUBAYDNFSAON-UHFFFAOYSA-N 0 0 229.389 2.777 50 0 BFAARN CC(C)CC(=O)N[C@H]1CCCc2occc21 ZINC000012922021 538778058 /nfs/dbraw/zinc/77/80/58/538778058.db2.gz ZFVMHUMCUWUUFY-NSHDSACASA-N 0 0 221.300 2.819 50 0 BFAARN CC(C)CC(=O)N[C@H]1CCc2ccccc21 ZINC000012945621 538779022 /nfs/dbraw/zinc/77/90/22/538779022.db2.gz VXHZDYDSEJRQIR-ZDUSSCGKSA-N 0 0 217.312 2.836 50 0 BFAARN CC(C)=C[C@H]1[C@@H](C(=O)NC(C)C)C1(C)C ZINC000012981287 538780472 /nfs/dbraw/zinc/78/04/72/538780472.db2.gz KAKXBNHJXOBMRL-QWRGUYRKSA-N 0 0 209.333 2.749 50 0 BFAARN FC(F)(F)c1ccnc(Sc2ncco2)n1 ZINC000390835287 357114036 /nfs/dbraw/zinc/11/40/36/357114036.db2.gz JJQJBHUNKKBTFJ-UHFFFAOYSA-N 0 0 247.201 2.635 50 0 BFAARN COc1cc(F)ccc1NC(=O)c1ccc(C)o1 ZINC000025308640 357195891 /nfs/dbraw/zinc/19/58/91/357195891.db2.gz QNDUTKLVXQKQKI-UHFFFAOYSA-N 0 0 249.241 2.988 50 0 BFAARN C=CC(=O)Oc1ccc(Br)cc1 ZINC000034153192 357329819 /nfs/dbraw/zinc/32/98/19/357329819.db2.gz HWWIOYDCNOHHMH-UHFFFAOYSA-N 0 0 227.057 2.541 50 0 BFAARN NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000006701313 181291780 /nfs/dbraw/zinc/29/17/80/181291780.db2.gz JYPKQWYPZMONOJ-UHFFFAOYSA-N 0 0 239.633 2.838 50 0 BFAARN O=C([C@H]1Cc2ccccc2S1)N1CCCCC1 ZINC000012973154 357923925 /nfs/dbraw/zinc/92/39/25/357923925.db2.gz BDTFEBBXAVJGIZ-CYBMUJFWSA-N 0 0 247.363 2.716 50 0 BFAARN Cc1c(Cl)cccc1N1C(=S)N=NC1C ZINC000006399484 358009085 /nfs/dbraw/zinc/00/90/85/358009085.db2.gz XZMMHJBQJNIIFA-UHFFFAOYSA-N 0 0 239.731 2.826 50 0 BFAARN CC(C)(C(=O)NCC1CC1)c1ccccc1F ZINC000069325569 166505929 /nfs/dbraw/zinc/50/59/29/166505929.db2.gz PGHGGBORLGIAQY-UHFFFAOYSA-N 0 0 235.302 2.630 50 0 BFAARN Cc1ccc(F)c(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000013019548 358195414 /nfs/dbraw/zinc/19/54/14/358195414.db2.gz RUOMZFDQAPMCHO-BDAKNGLRSA-N 0 0 207.248 2.729 50 0 BFAARN CC[C@@H](O)c1ccccc1Br ZINC000039648203 358228101 /nfs/dbraw/zinc/22/81/01/358228101.db2.gz SMYHFDLFOKKDOO-SECBINFHSA-N 0 0 215.090 2.893 50 0 BFAARN CCSc1ccc(Cl)cc1NC(N)=O ZINC000105048792 358593250 /nfs/dbraw/zinc/59/32/50/358593250.db2.gz IOSMMNLQOSKKLU-UHFFFAOYSA-N 0 0 230.720 2.943 50 0 BFAARN O=C1CCC(=O)N1c1cccc(Cl)c1Cl ZINC000000398705 358748282 /nfs/dbraw/zinc/74/82/82/358748282.db2.gz VXHFRXBBDKFXAR-UHFFFAOYSA-N 0 0 244.077 2.647 50 0 BFAARN Cc1nnc([C@H](C)Sc2ccccn2)o1 ZINC000059360177 358920456 /nfs/dbraw/zinc/92/04/56/358920456.db2.gz KTURFAZHOGCOGA-ZETCQYMHSA-N 0 0 221.285 2.626 50 0 BFAARN CSc1nc(=O)c2c(C(C)C)csc2[nH]1 ZINC000069980816 359036998 /nfs/dbraw/zinc/03/69/98/359036998.db2.gz VBMZGWBRLUWMOW-UHFFFAOYSA-N 0 0 240.353 2.830 50 0 BFAARN Nc1ccc2c(c1)[nH]cc2C(F)(F)F ZINC000117899469 359842786 /nfs/dbraw/zinc/84/27/86/359842786.db2.gz PNZOMTCMXMIYQW-UHFFFAOYSA-N 0 0 200.163 2.769 50 0 BFAARN Nc1nc2ncccc2cc1-c1ccccc1 ZINC000019723495 359988424 /nfs/dbraw/zinc/98/84/24/359988424.db2.gz USUJXARHDURNRZ-UHFFFAOYSA-N 0 0 221.263 2.879 50 0 BFAARN CC(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000089643194 360031071 /nfs/dbraw/zinc/03/10/71/360031071.db2.gz FSINBBAOXOBSDZ-AWEZNQCLSA-N 0 0 217.312 2.987 50 0 BFAARN CC(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC000089265532 360003826 /nfs/dbraw/zinc/00/38/26/360003826.db2.gz BDDCHWKHEMMHOD-UHFFFAOYSA-N 0 0 228.251 2.832 50 0 BFAARN Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](CCCO)N2 ZINC000201858637 360297359 /nfs/dbraw/zinc/29/73/59/360297359.db2.gz SDLWMEYMPKDXIK-OSAQELSMSA-N 0 0 247.338 2.639 50 0 BFAARN CCCCC(=O)Nc1nnc(CC(C)C)s1 ZINC000002491436 360422510 /nfs/dbraw/zinc/42/25/10/360422510.db2.gz DENNOLAEJZJBFJ-UHFFFAOYSA-N 0 0 241.360 2.865 50 0 BFAARN Cc1c(N)cccc1-c1nc2ncccc2o1 ZINC000000266879 219806766 /nfs/dbraw/zinc/80/67/66/219806766.db2.gz IPNBOLYXGONZDK-UHFFFAOYSA-N 0 0 225.251 2.780 50 0 BFAARN CC1(C)CNC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000027061954 360514382 /nfs/dbraw/zinc/51/43/82/360514382.db2.gz WICIBBDTLKQCBP-SNVBAGLBSA-N 0 0 238.718 2.720 50 0 BFAARN Cc1cc(C)cc(NC=C2CCOC2=O)c1 ZINC000006714489 360647561 /nfs/dbraw/zinc/64/75/61/360647561.db2.gz RNFHEJOZWKTMMR-FLIBITNWSA-N 0 0 217.268 2.546 50 0 BFAARN NC(=S)Cc1ccc(Cl)cc1Cl ZINC000013658614 181317105 /nfs/dbraw/zinc/31/71/05/181317105.db2.gz TVLNFSUEBAEIKJ-UHFFFAOYSA-N 0 0 220.124 2.822 50 0 BFAARN NC(=S)Cc1cccc2ccccc21 ZINC000001849792 181317797 /nfs/dbraw/zinc/31/77/97/181317797.db2.gz FUDCGMJJFOGQFO-UHFFFAOYSA-N 0 0 201.294 2.668 50 0 BFAARN NC(=S)c1cc(Cl)ccc1Cl ZINC000036533330 181320674 /nfs/dbraw/zinc/32/06/74/181320674.db2.gz YQORNGRDGWVQOD-UHFFFAOYSA-N 0 0 206.097 2.628 50 0 BFAARN CC[C@@H](C)NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000006942919 361153003 /nfs/dbraw/zinc/15/30/03/361153003.db2.gz ZKVAMNYRMCPOHT-SNVBAGLBSA-N 0 0 243.310 2.605 50 0 BFAARN C(=C/C1CCCCC1)\c1cnc2ncnn2c1 ZINC000426404417 200983744 /nfs/dbraw/zinc/98/37/44/200983744.db2.gz WLPZRDCSNUJIQG-VOTSOKGWSA-N 0 0 228.299 2.718 50 0 BFAARN Cc1nc(-c2cccc(OCC(C)C)c2)nn1C ZINC000426667370 200996293 /nfs/dbraw/zinc/99/62/93/200996293.db2.gz KIGZVDLJURDZGU-UHFFFAOYSA-N 0 0 245.326 2.825 50 0 BFAARN O=C(c1ccco1)N1CCC(=C2CC2)CC1 ZINC000238922085 361471178 /nfs/dbraw/zinc/47/11/78/361471178.db2.gz UCQZZERKNVVLNK-UHFFFAOYSA-N 0 0 217.268 2.606 50 0 BFAARN N=C1Nc2ccccc2Oc2ccccc21 ZINC000004108798 181340236 /nfs/dbraw/zinc/34/02/36/181340236.db2.gz WJWDEWXJRCMLMU-UHFFFAOYSA-N 0 0 210.236 2.829 50 0 BFAARN Nc1cnc(-c2ccc(C(F)(F)F)cc2)nc1 ZINC000036895532 361577901 /nfs/dbraw/zinc/57/79/01/361577901.db2.gz VHJVKEFNWVQJNW-UHFFFAOYSA-N 0 0 239.200 2.745 50 0 BFAARN COc1ccccc1CNC(=O)[C@@H]1CC=CCC1 ZINC000007306066 361582100 /nfs/dbraw/zinc/58/21/00/361582100.db2.gz QRTNFUNHSMHCHY-GFCCVEGCSA-N 0 0 245.322 2.668 50 0 BFAARN C[C@@H](Nc1ccn(C)n1)c1c(F)cccc1F ZINC000037560490 364190849 /nfs/dbraw/zinc/19/08/49/364190849.db2.gz BFFKKCNXDNWZFV-MRVPVSSYSA-N 0 0 237.253 2.871 50 0 BFAARN COCc1nc(-c2ccc(Cl)cc2)no1 ZINC000002216033 364350344 /nfs/dbraw/zinc/35/03/44/364350344.db2.gz MFCKIZLLGAFRQJ-UHFFFAOYSA-N 0 0 224.647 2.536 50 0 BFAARN Cc1ccc(N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000037691297 364531173 /nfs/dbraw/zinc/53/11/73/364531173.db2.gz JTCBCGKEWZZVIP-OLZOCXBDSA-N 0 0 205.301 2.710 50 0 BFAARN C[C@@H](NC(=O)c1ccccn1)c1ccccc1F ZINC000026680651 541498966 /nfs/dbraw/zinc/49/89/66/541498966.db2.gz OBKZAEVYJVWRRR-SNVBAGLBSA-N 0 0 244.269 2.712 50 0 BFAARN C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccncc1 ZINC000027404767 541499165 /nfs/dbraw/zinc/49/91/65/541499165.db2.gz CYVWBWVMEAOWFF-AAEUAGOBSA-N 0 0 230.311 2.615 50 0 BFAARN CC(=O)c1c2ccc3cccc(c1C(C)=O)n32 ZINC000003131439 368369047 /nfs/dbraw/zinc/36/90/47/368369047.db2.gz ZSJBAICUVUWSHI-UHFFFAOYSA-N 0 0 225.247 2.936 50 0 BFAARN CCCc1nnc(-c2cccnc2)s1 ZINC000205450688 368399813 /nfs/dbraw/zinc/39/98/13/368399813.db2.gz FROAQQWOHMQGBV-UHFFFAOYSA-N 0 0 205.286 2.553 50 0 BFAARN C=CN(C=C)c1cc(Cl)nnc1Cl ZINC000138151365 368391307 /nfs/dbraw/zinc/39/13/07/368391307.db2.gz BATVSJLWBQETEY-UHFFFAOYSA-N 0 0 216.071 2.877 50 0 BFAARN CCCCOC(=O)c1cc2ccoc2cn1 ZINC000140884121 368392512 /nfs/dbraw/zinc/39/25/12/368392512.db2.gz VCFCKAMFEDBLEX-UHFFFAOYSA-N 0 0 219.240 2.785 50 0 BFAARN Cc1cc(CSC(=S)N2CCCC2)on1 ZINC000070794203 368765594 /nfs/dbraw/zinc/76/55/94/368765594.db2.gz SZRNCKNNAUZTNL-UHFFFAOYSA-N 0 0 242.369 2.597 50 0 BFAARN CC(C)(C)OC(=O)CCc1ccc(F)c(N)c1 ZINC000115158568 368977113 /nfs/dbraw/zinc/97/71/13/368977113.db2.gz ZLKOACIDIBZPEW-UHFFFAOYSA-N 0 0 239.290 2.682 50 0 BFAARN C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccco2)C[C@@H]1C ZINC000253369631 368939996 /nfs/dbraw/zinc/93/99/96/368939996.db2.gz FWEBSLPARNZHNQ-MROQNXINSA-N 0 0 237.343 2.727 50 0 BFAARN CCc1ccc2ncn(C3(C)CCC3)c(=O)c2c1 ZINC000584896158 369043963 /nfs/dbraw/zinc/04/39/63/369043963.db2.gz QLXMFEIADKCAOT-UHFFFAOYSA-N 0 0 242.322 2.858 50 0 BFAARN C/C=C/CC(=O)N[C@@H](CC)c1cccc(C)n1 ZINC000584898531 369044917 /nfs/dbraw/zinc/04/49/17/369044917.db2.gz SMQHZCVUFVQOAS-FUEXJSSKSA-N 0 0 232.327 2.924 50 0 BFAARN COC(=O)[C@@H](C)Cc1c[nH]c2ccccc12 ZINC000000336824 369382945 /nfs/dbraw/zinc/38/29/45/369382945.db2.gz POHSJYQQRZRBKR-VIFPVBQESA-N 0 0 217.268 2.520 50 0 BFAARN Cc1oc(C)c(C(=O)NCc2ccco2)c1C ZINC000013021641 370997195 /nfs/dbraw/zinc/99/71/95/370997195.db2.gz PDEHPVVRDGKACW-UHFFFAOYSA-N 0 0 233.267 2.728 50 0 BFAARN Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1 ZINC000070675427 371055052 /nfs/dbraw/zinc/05/50/52/371055052.db2.gz FIOQNIALDFJUCU-UHFFFAOYSA-N 0 0 228.173 2.597 50 0 BFAARN NNc1cc(C(F)(F)F)ccc1Cl ZINC000002510235 181518142 /nfs/dbraw/zinc/51/81/42/181518142.db2.gz PAPSYPXQNRTIRR-UHFFFAOYSA-N 0 0 210.586 2.644 50 0 BFAARN NNc1ccc(Oc2ccccc2)cc1 ZINC000000153972 181519613 /nfs/dbraw/zinc/51/96/13/181519613.db2.gz LGRURSNANBXOMS-UHFFFAOYSA-N 0 0 200.241 2.765 50 0 BFAARN Cc1ccc(NC(=O)[C@H]2CC23CCCC3)cn1 ZINC000019792883 371189562 /nfs/dbraw/zinc/18/95/62/371189562.db2.gz IQFHQPQEDKPAHX-GFCCVEGCSA-N 0 0 230.311 2.909 50 0 BFAARN [NH3+][C@@H](CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000037378005 181542740 /nfs/dbraw/zinc/54/27/40/181542740.db2.gz XXABZGITVFYWRM-VIFPVBQESA-N 0 0 248.109 2.858 50 0 BFAARN Cc1ccc(O)c(C(=O)N2CCC[C@@H](C)C2)c1 ZINC000019837462 371192450 /nfs/dbraw/zinc/19/24/50/371192450.db2.gz IDMWNILZUZYJRQ-LLVKDONJSA-N 0 0 233.311 2.573 50 0 BFAARN COC(=O)CNc1cccc(OC2CCCC2)c1 ZINC000079033585 371175379 /nfs/dbraw/zinc/17/53/79/371175379.db2.gz DJZLPMLZJUSIMI-UHFFFAOYSA-N 0 0 249.310 2.593 50 0 BFAARN Nc1cc(F)ccc1NCc1ccco1 ZINC000020135500 371234570 /nfs/dbraw/zinc/23/45/70/371234570.db2.gz NSXIFQCNULGIRK-UHFFFAOYSA-N 0 0 206.220 2.613 50 0 BFAARN Cc1[nH]n(C(C)C)c2nc(-c3cccnc3)nc1-2 ZINC000020136906 371234797 /nfs/dbraw/zinc/23/47/97/371234797.db2.gz UWUKSRDFQWUNAV-UHFFFAOYSA-N 0 0 241.298 2.711 50 0 BFAARN C[C@@H](CNc1ccnn1C)c1ccccc1 ZINC000020351640 371269168 /nfs/dbraw/zinc/26/91/68/371269168.db2.gz HDVGWIAGFIEOHR-NSHDSACASA-N 0 0 215.300 2.636 50 0 BFAARN Cc1ccc(Nc2ncccc2N)c(F)c1 ZINC000020585793 371302119 /nfs/dbraw/zinc/30/21/19/371302119.db2.gz WLCZICNNPYWJGG-UHFFFAOYSA-N 0 0 217.247 2.855 50 0 BFAARN Cc1ccn(CCC(=O)Nc2ccc(C)cc2)n1 ZINC000020989580 371355764 /nfs/dbraw/zinc/35/57/64/371355764.db2.gz IFEJUSIUQLWWND-UHFFFAOYSA-N 0 0 243.310 2.529 50 0 BFAARN Nc1cc(F)cc(Br)c1Cl ZINC000091691920 181685890 /nfs/dbraw/zinc/68/58/90/181685890.db2.gz YZGMWJRUAGKYER-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN Nc1ccc(F)c(NC(=O)c2cccs2)c1 ZINC000021954131 181710886 /nfs/dbraw/zinc/71/08/86/181710886.db2.gz HWGUYVXRNCYRPB-UHFFFAOYSA-N 0 0 236.271 2.722 50 0 BFAARN Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000040971506 181744538 /nfs/dbraw/zinc/74/45/38/181744538.db2.gz WPODKEILCJOICG-INIZCTEOSA-N 0 0 237.368 2.850 50 0 BFAARN Nc1cncc(-c2ccc(C(F)(F)F)nc2)c1 ZINC000096137555 181769443 /nfs/dbraw/zinc/76/94/43/181769443.db2.gz YUJPYJXLYDXCRT-UHFFFAOYSA-N 0 0 239.200 2.745 50 0 BFAARN CCCc1cc(C(=O)Nc2ccc(C)cc2)n[nH]1 ZINC000029508778 371770000 /nfs/dbraw/zinc/77/00/00/371770000.db2.gz CMFVQULOYFNLLW-UHFFFAOYSA-N 0 0 243.310 2.923 50 0 BFAARN O=C1/C(=C\c2cccs2)N=C2CCCCCN12 ZINC000003212375 371917877 /nfs/dbraw/zinc/91/78/77/371917877.db2.gz PAPOWTPPVPBJOI-PKNBQFBNSA-N 0 0 246.335 2.904 50 0 BFAARN O=C(/C=C/c1ccco1)Nc1cccnc1Cl ZINC000000027725 181843379 /nfs/dbraw/zinc/84/33/79/181843379.db2.gz GAJAKAFGYIZYSZ-AATRIKPKSA-N 0 0 248.669 2.980 50 0 BFAARN Cc1cccc(NC2=N[C@@H](C)CS2)c1 ZINC000003308364 371949708 /nfs/dbraw/zinc/94/97/08/371949708.db2.gz FWENXIRYYJLUSB-VIFPVBQESA-N 0 0 206.314 2.898 50 0 BFAARN Cc1nn(Cc2ccccc2)c(Cl)c1C=O ZINC000003319643 371955068 /nfs/dbraw/zinc/95/50/68/371955068.db2.gz SCAUOTJMDXPTOZ-UHFFFAOYSA-N 0 0 234.686 2.706 50 0 BFAARN O=C(/C=C\c1ccc[nH]1)OCCc1ccccc1 ZINC000606442407 372103442 /nfs/dbraw/zinc/10/34/42/372103442.db2.gz OFIHBEYKJQPWCM-HJWRWDBZSA-N 0 0 241.290 2.814 50 0 BFAARN CC/C=C\COC(=O)c1csc(C)n1 ZINC000606443051 372103555 /nfs/dbraw/zinc/10/35/55/372103555.db2.gz NQSOONNWUOWTAU-PLNGDYQASA-N 0 0 211.286 2.575 50 0 BFAARN CCN(C)C(=O)/C=C/c1cnc2ccccc2c1 ZINC000004052089 372124947 /nfs/dbraw/zinc/12/49/47/372124947.db2.gz FTMMOHLZZCTORP-CMDGGOBGSA-N 0 0 240.306 2.726 50 0 BFAARN O=C(CC(F)(F)F)Nc1ccccc1F ZINC000043069643 181881034 /nfs/dbraw/zinc/88/10/34/181881034.db2.gz QHOZJDSYYHOJQQ-UHFFFAOYSA-N 0 0 221.153 2.717 50 0 BFAARN COc1ccc2c(n1)N[C@@H](c1ccccc1)CN2 ZINC000134251363 372186521 /nfs/dbraw/zinc/18/65/21/372186521.db2.gz RVEAONVZRPGGBY-GFCCVEGCSA-N 0 0 241.294 2.669 50 0 BFAARN O=C(CCc1ccccc1)Nc1ccc(O)cc1 ZINC000000362862 181931639 /nfs/dbraw/zinc/93/16/39/181931639.db2.gz OHWHQNCVWRVQFT-UHFFFAOYSA-N 0 0 241.290 2.964 50 0 BFAARN O=C(CCn1ccc2ccccc21)N1CCCC1 ZINC000032747685 181948430 /nfs/dbraw/zinc/94/84/30/181948430.db2.gz XDOGMWTZGSDQOF-UHFFFAOYSA-N 0 0 242.322 2.654 50 0 BFAARN CCCCCc1c(O)c2ccccc2[nH]c1=O ZINC000008586204 372782760 /nfs/dbraw/zinc/78/27/60/372782760.db2.gz MENXPFSNCCRVOS-UHFFFAOYSA-N 0 0 231.295 2.966 50 0 BFAARN O=C(COC(=O)[C@H]1C=CCCC1)c1ccccc1 ZINC000000448520 181990196 /nfs/dbraw/zinc/99/01/96/181990196.db2.gz CORMBNGUTGWCOF-ZDUSSCGKSA-N 0 0 244.290 2.769 50 0 BFAARN O=C(COc1cccc(Cl)c1)c1ccc[nH]1 ZINC000016222745 182000963 /nfs/dbraw/zinc/00/09/63/182000963.db2.gz ZWCUFXFQDLZRBF-UHFFFAOYSA-N 0 0 235.670 2.930 50 0 BFAARN O=C(COc1cccc(F)c1)Nc1ccccc1 ZINC000003607525 182001849 /nfs/dbraw/zinc/00/18/49/182001849.db2.gz FAKTWRODHTVXSY-UHFFFAOYSA-N 0 0 245.253 2.843 50 0 BFAARN O=C(COc1ccccc1)OC1CCCCC1 ZINC000001600938 182002719 /nfs/dbraw/zinc/00/27/19/182002719.db2.gz OICVSQUGXGNOSJ-UHFFFAOYSA-N 0 0 234.295 2.941 50 0 BFAARN O=C(CSCc1ccco1)c1ccco1 ZINC000003265499 182009174 /nfs/dbraw/zinc/00/91/74/182009174.db2.gz BGRNIMABPWYYCY-UHFFFAOYSA-N 0 0 222.265 2.989 50 0 BFAARN O=C(CSc1ccccc1)N1CCCCC1 ZINC000000443732 182009455 /nfs/dbraw/zinc/00/94/55/182009455.db2.gz AALJCIWZQJATKD-UHFFFAOYSA-N 0 0 235.352 2.791 50 0 BFAARN O=C(CSc1ccc(Cl)cc1)NC1CC1 ZINC000000452467 182009616 /nfs/dbraw/zinc/00/96/16/182009616.db2.gz TUXHSCFCNICOGC-UHFFFAOYSA-N 0 0 241.743 2.711 50 0 BFAARN O=C(CSc1ccccn1)Nc1ccccc1 ZINC000000509637 182011387 /nfs/dbraw/zinc/01/13/87/182011387.db2.gz NYZYDLCGNPKNDO-UHFFFAOYSA-N 0 0 244.319 2.812 50 0 BFAARN O=C(C[C@@H]1C=CCC1)NCCc1cccc(F)c1 ZINC000036392857 182013610 /nfs/dbraw/zinc/01/36/10/182013610.db2.gz NBTLIIJKDQLLMA-GFCCVEGCSA-N 0 0 247.313 2.841 50 0 BFAARN O=C(C[C@@H]1C=CCC1)Nc1cccc2c[nH]nc21 ZINC000012883429 182015059 /nfs/dbraw/zinc/01/50/59/182015059.db2.gz FQFODPSBQDVPES-SNVBAGLBSA-N 0 0 241.294 2.858 50 0 BFAARN CCOc1ccc([C@H]2NC(=O)CS2)cc1 ZINC000039299087 372935686 /nfs/dbraw/zinc/93/56/86/372935686.db2.gz WXYBSYQAMHXTCK-NSHDSACASA-N 0 0 223.297 2.787 50 0 BFAARN O=C(Cc1cc(F)cc(F)c1)C(F)(F)F ZINC000002579852 182033211 /nfs/dbraw/zinc/03/32/11/182033211.db2.gz YYGSSUXFNAKYFC-UHFFFAOYSA-N 0 0 224.128 2.639 50 0 BFAARN O=C(Cc1ccc(Cl)cc1)N1CCCC1 ZINC000006221426 182034232 /nfs/dbraw/zinc/03/42/32/182034232.db2.gz XFWLOSYCPFWTSJ-UHFFFAOYSA-N 0 0 223.703 2.505 50 0 BFAARN O=C(Cc1ccc(F)cc1)NCc1ccsc1 ZINC000013698105 182035543 /nfs/dbraw/zinc/03/55/43/182035543.db2.gz QXHJFXRCTKXEBR-UHFFFAOYSA-N 0 0 249.310 2.746 50 0 BFAARN O=C(Cc1ccc(F)cc1)NC(C1CC1)C1CC1 ZINC000012849416 182036185 /nfs/dbraw/zinc/03/61/85/182036185.db2.gz UQQIJSOANQKZHU-UHFFFAOYSA-N 0 0 247.313 2.673 50 0 BFAARN O=C(Cc1ccccc1)NCCc1ccccc1 ZINC000002584481 182044380 /nfs/dbraw/zinc/04/43/80/182044380.db2.gz SERBNUYNEAQHNJ-UHFFFAOYSA-N 0 0 239.318 2.588 50 0 BFAARN O=C(Cc1ccccc1)NCCc1cccs1 ZINC000070752116 182044439 /nfs/dbraw/zinc/04/44/39/182044439.db2.gz RILSDBRDIYIROS-UHFFFAOYSA-N 0 0 245.347 2.650 50 0 BFAARN O=C(Cc1ccccc1)Nc1ccc(Cl)cn1 ZINC000000170942 182044514 /nfs/dbraw/zinc/04/45/14/182044514.db2.gz OOXZLDZAMPUCPU-UHFFFAOYSA-N 0 0 246.697 2.916 50 0 BFAARN O=C(Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000038125490 182045091 /nfs/dbraw/zinc/04/50/91/182045091.db2.gz LVDYVSQVFXRVQZ-LBPRGKRZSA-N 0 0 224.687 2.631 50 0 BFAARN O=C(Cc1cccs1)NCC1CCCCC1 ZINC000003357108 182051423 /nfs/dbraw/zinc/05/14/23/182051423.db2.gz OKTOQKZXAMHOHQ-UHFFFAOYSA-N 0 0 237.368 2.987 50 0 BFAARN O=C(Cc1cccs1)NC1CCCCC1 ZINC000000030422 182051425 /nfs/dbraw/zinc/05/14/25/182051425.db2.gz NAIKTZHUPBJABQ-UHFFFAOYSA-N 0 0 223.341 2.740 50 0 BFAARN CC(C)=C1NC(=S)N(c2ccc(C)cc2)C1=O ZINC000039931000 373063235 /nfs/dbraw/zinc/06/32/35/373063235.db2.gz VJKXUPMXMLHHAS-UHFFFAOYSA-N 0 0 246.335 2.921 50 0 BFAARN Cc1cc(C)cc(OCCN(C)C(=O)C(C)C)c1 ZINC000040001088 373085561 /nfs/dbraw/zinc/08/55/61/373085561.db2.gz JZJXYVFQPISKKX-UHFFFAOYSA-N 0 0 249.354 2.797 50 0 BFAARN Cc1noc([C@H](C)Sc2ccccn2)n1 ZINC000040051848 373099678 /nfs/dbraw/zinc/09/96/78/373099678.db2.gz FQBSHSTWIRKLDF-ZETCQYMHSA-N 0 0 221.285 2.626 50 0 BFAARN O=C(Cn1ccc2ccccc21)NC1CCCC1 ZINC000032096020 182067343 /nfs/dbraw/zinc/06/73/43/182067343.db2.gz YVZZAEHDRFNIJB-UHFFFAOYSA-N 0 0 242.322 2.700 50 0 BFAARN O=C(CCc1cccs1)NCC1CCCC1 ZINC000040074448 373102385 /nfs/dbraw/zinc/10/23/85/373102385.db2.gz UHHXTHBOWXNGAQ-UHFFFAOYSA-N 0 0 237.368 2.987 50 0 BFAARN CCN(CC)C(=O)CCc1ccc(F)c(F)c1 ZINC000040073380 373102548 /nfs/dbraw/zinc/10/25/48/373102548.db2.gz GXXWGQUZKXVDGC-UHFFFAOYSA-N 0 0 241.281 2.766 50 0 BFAARN CCc1ccc(C(=O)N[C@H](C)Cc2ccco2)o1 ZINC000040082283 373103424 /nfs/dbraw/zinc/10/34/24/373103424.db2.gz ZKBCCDBTKJAYLZ-SNVBAGLBSA-N 0 0 247.294 2.796 50 0 BFAARN O=C(NC1CC1)c1ccc(-c2ccncc2)cc1 ZINC000032578198 182100521 /nfs/dbraw/zinc/10/05/21/182100521.db2.gz CZBGYKUDPAPUEZ-UHFFFAOYSA-N 0 0 238.290 2.641 50 0 BFAARN CC(C)Cn1nccc1NC(=O)[C@H]1CC=CCC1 ZINC000040489390 373315971 /nfs/dbraw/zinc/31/59/71/373315971.db2.gz NBDVUBOZAQFIED-LBPRGKRZSA-N 0 0 247.342 2.834 50 0 BFAARN CCCC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000040489737 373315982 /nfs/dbraw/zinc/31/59/82/373315982.db2.gz OVBYRHMYOGWAKO-CYBMUJFWSA-N 0 0 217.312 2.932 50 0 BFAARN O=C(NC1CC1)N[C@@H]1CCCc2ccccc21 ZINC000032843685 182097774 /nfs/dbraw/zinc/09/77/74/182097774.db2.gz WPDRPSHOYODIAB-CYBMUJFWSA-N 0 0 230.311 2.526 50 0 BFAARN CCN(C(=O)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000040461135 373280487 /nfs/dbraw/zinc/28/04/87/373280487.db2.gz PRCBUJIYNLCWPF-ZYHUDNBSSA-N 0 0 203.285 2.696 50 0 BFAARN O=C(NC1CC1)c1cc(Cl)cc(Cl)c1 ZINC000000166867 182099378 /nfs/dbraw/zinc/09/93/78/182099378.db2.gz MUVOQLLEVCPYHN-UHFFFAOYSA-N 0 0 230.094 2.886 50 0 BFAARN O=C(NC1CC1)c1cc2c(cccc2F)s1 ZINC000001390443 182099787 /nfs/dbraw/zinc/09/97/87/182099787.db2.gz BQAVWRCLWRVSTN-UHFFFAOYSA-N 0 0 235.283 2.933 50 0 BFAARN Cc1ccccc1SCc1ccn(C)c(=O)c1 ZINC000069511466 373335815 /nfs/dbraw/zinc/33/58/15/373335815.db2.gz PSKKVJFWVHMOKB-UHFFFAOYSA-N 0 0 245.347 2.986 50 0 BFAARN O=C(NC1CCCCC1)c1ccc(F)cc1 ZINC000003127881 182113363 /nfs/dbraw/zinc/11/33/63/182113363.db2.gz STPFPZKUYANAOR-UHFFFAOYSA-N 0 0 221.275 2.888 50 0 BFAARN O=C(NC1CCCCCC1)c1ccccc1O ZINC000011639223 182114694 /nfs/dbraw/zinc/11/46/94/182114694.db2.gz YNMPZOVUKPRDBY-UHFFFAOYSA-N 0 0 233.311 2.845 50 0 BFAARN O=C(NC1CCCC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000000182981 182109978 /nfs/dbraw/zinc/10/99/78/182109978.db2.gz WNIHXHZBQPHZTC-KGLIPLIRSA-N 0 0 229.323 2.849 50 0 BFAARN O=C(NC1CCCC1)c1cc(F)cc(F)c1 ZINC000009376235 182110371 /nfs/dbraw/zinc/11/03/71/182110371.db2.gz SXIDPMPWSQCWKW-UHFFFAOYSA-N 0 0 225.238 2.637 50 0 BFAARN O=C(NC1CCCC1)c1ccc(O)cc1Cl ZINC000261493429 182111010 /nfs/dbraw/zinc/11/10/10/182111010.db2.gz AVQAKZVZRFEHEL-UHFFFAOYSA-N 0 0 239.702 2.718 50 0 BFAARN CS[C@H](C)C(=O)N[C@H](C)c1cccs1 ZINC000040523436 373447072 /nfs/dbraw/zinc/44/70/72/373447072.db2.gz IBDASKUUINCBKB-HTQZYQBOSA-N 0 0 229.370 2.677 50 0 BFAARN O=C(NCC1CC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000058341074 182140464 /nfs/dbraw/zinc/14/04/64/182140464.db2.gz ISCDKVGXFKQCPH-CHWSQXEVSA-N 0 0 249.741 2.970 50 0 BFAARN O=C(NCC1CCCCC1)c1ccc(O)cc1 ZINC000009450201 182147071 /nfs/dbraw/zinc/14/70/71/182147071.db2.gz QNBLYWFXGBNTIE-UHFFFAOYSA-N 0 0 233.311 2.702 50 0 BFAARN O=C(NCCc1ccc(F)cc1)[C@@H]1CC=CCC1 ZINC000036395754 182201443 /nfs/dbraw/zinc/20/14/43/182201443.db2.gz YPENJHIBSMFXCP-CYBMUJFWSA-N 0 0 247.313 2.841 50 0 BFAARN O=C(NCCc1ccc(Cl)cc1)c1ccco1 ZINC000000140658 182202076 /nfs/dbraw/zinc/20/20/76/182202076.db2.gz WCFDKPUTQVLXIL-UHFFFAOYSA-N 0 0 249.697 2.906 50 0 BFAARN O=C(NCCc1ccccc1)c1ccc(F)cc1 ZINC000000188177 182204561 /nfs/dbraw/zinc/20/45/61/182204561.db2.gz WDFNXEQNOIUFEP-UHFFFAOYSA-N 0 0 243.281 2.798 50 0 BFAARN O=C(NCCc1ccccc1)[C@H]1CC=CCC1 ZINC000036396054 182204753 /nfs/dbraw/zinc/20/47/53/182204753.db2.gz DJKJKKRIRNIZNX-AWEZNQCLSA-N 0 0 229.323 2.702 50 0 BFAARN CC(C)(C)c1cnc(CN2CCCC2)o1 ZINC000041362236 374134570 /nfs/dbraw/zinc/13/45/70/374134570.db2.gz VNPVNJQNYVUNFM-UHFFFAOYSA-N 0 0 208.305 2.568 50 0 BFAARN C[C@H](O)CNc1ccnc2ccc(Cl)cc21 ZINC000041474789 374141556 /nfs/dbraw/zinc/14/15/56/374141556.db2.gz XKNOGPNHMPQLJN-QMMMGPOBSA-N 0 0 236.702 2.681 50 0 BFAARN CC(C)C(=O)NC1(c2ccc(F)cc2)CC1 ZINC000041534386 374145169 /nfs/dbraw/zinc/14/51/69/374145169.db2.gz VAYUYRZMALVQEB-UHFFFAOYSA-N 0 0 221.275 2.587 50 0 BFAARN O=C(NCc1ccco1)[C@@H]1[C@H]2C=CCCCC[C@@H]21 ZINC000004664184 182263173 /nfs/dbraw/zinc/26/31/73/182263173.db2.gz ZZYJXLSLHDDCAV-MELADBBJSA-N 0 0 245.322 2.888 50 0 BFAARN Cc1ccc(F)cc1C(=O)NCc1ccco1 ZINC000009952976 374262073 /nfs/dbraw/zinc/26/20/73/374262073.db2.gz UQOWFTPOXUVNLK-UHFFFAOYSA-N 0 0 233.242 2.657 50 0 BFAARN O=C(NCc1ccccc1)Oc1ccccc1 ZINC000001613161 182256109 /nfs/dbraw/zinc/25/61/09/182256109.db2.gz FFXFWNLKXAIQRM-UHFFFAOYSA-N 0 0 227.263 2.975 50 0 BFAARN O=C(NCc1ccccc1F)c1cccc(F)c1 ZINC000005630819 182257891 /nfs/dbraw/zinc/25/78/91/182257891.db2.gz BWINHRFMBOQXIJ-UHFFFAOYSA-N 0 0 247.244 2.895 50 0 BFAARN O=C(NCc1ccco1)Nc1cccc(F)c1 ZINC000006741686 182262238 /nfs/dbraw/zinc/26/22/38/182262238.db2.gz HGOWUXJCGBYIPW-UHFFFAOYSA-N 0 0 234.230 2.740 50 0 BFAARN O=C(NCc1ccco1)Oc1ccccc1 ZINC000000063659 182262254 /nfs/dbraw/zinc/26/22/54/182262254.db2.gz VVSQIDMBJAISPY-UHFFFAOYSA-N 0 0 217.224 2.568 50 0 BFAARN CCCCCC[C@H](C)NC(=O)NC1CC1 ZINC000071795979 374291376 /nfs/dbraw/zinc/29/13/76/374291376.db2.gz NYVZIXMRFYPVCH-JTQLQIEISA-N 0 0 212.337 2.807 50 0 BFAARN CCC[C@H]1CCCC[C@@H]1NC(=O)NCC ZINC000071796299 374293632 /nfs/dbraw/zinc/29/36/32/374293632.db2.gz JGIMTQYGTUYZSK-QWRGUYRKSA-N 0 0 212.337 2.664 50 0 BFAARN CCCCCC[C@@H](C)NC(=O)NCC ZINC000071806541 374295277 /nfs/dbraw/zinc/29/52/77/374295277.db2.gz JPZWPZSGBDKEQC-SNVBAGLBSA-N 0 0 200.326 2.664 50 0 BFAARN O=C(NCc1ccoc1)c1ccc(Cl)s1 ZINC000048252949 182267660 /nfs/dbraw/zinc/26/76/60/182267660.db2.gz YROMEKGFVNKNON-UHFFFAOYSA-N 0 0 241.699 2.925 50 0 BFAARN O=C(NCc1csc2ccccc12)C1CC1 ZINC000000069450 182271139 /nfs/dbraw/zinc/27/11/39/182271139.db2.gz CVKCBHPGNCHTAP-UHFFFAOYSA-N 0 0 231.320 2.928 50 0 BFAARN CCCC(=O)N[C@@H](C)c1cccc(F)c1 ZINC000042673072 374282660 /nfs/dbraw/zinc/28/26/60/374282660.db2.gz LTEXQGXVNNXSID-VIFPVBQESA-N 0 0 209.264 2.803 50 0 BFAARN CONC(=O)c1ccc(-c2ccccc2)cc1 ZINC000010224539 374284203 /nfs/dbraw/zinc/28/42/03/374284203.db2.gz RUSYUBYSGWCDAN-UHFFFAOYSA-N 0 0 227.263 2.645 50 0 BFAARN O=C(N[C@@H]1CC=CCC1)[C@@H]1CCC(F)(F)C1 ZINC000336538154 182291160 /nfs/dbraw/zinc/29/11/60/182291160.db2.gz XEDYOJLVZQBAAH-NXEZZACHSA-N 0 0 229.270 2.647 50 0 BFAARN COc1ccc(-c2cc(CO)ccn2)cc1Cl ZINC000426563057 206051591 /nfs/dbraw/zinc/05/15/91/206051591.db2.gz GLLKPFWDURUPQL-UHFFFAOYSA-N 0 0 249.697 2.903 50 0 BFAARN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000055274562 182298039 /nfs/dbraw/zinc/29/80/39/182298039.db2.gz GTRRRNMDQVLUAB-RKDXNWHRSA-N 0 0 235.249 2.634 50 0 BFAARN Fc1cnc(-c2cccc3cccnc32)nc1 ZINC000426581060 206053657 /nfs/dbraw/zinc/05/36/57/206053657.db2.gz XOXNIRJGGQFFSP-UHFFFAOYSA-N 0 0 225.226 2.831 50 0 BFAARN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000004762825 182315423 /nfs/dbraw/zinc/31/54/23/182315423.db2.gz PNDHLCFURACDRW-HUUCEWRRSA-N 0 0 237.302 2.973 50 0 BFAARN O=C(N[C@H]1CC2CCC1CC2)c1ccccc1 ZINC000000136579 182325784 /nfs/dbraw/zinc/32/57/84/182325784.db2.gz PKNKWNDXBCGMBJ-YIZWMMSDSA-N 0 0 229.323 2.995 50 0 BFAARN O=C(N[C@H]1CCOc2ccccc21)C1CCCC1 ZINC000006542636 182338842 /nfs/dbraw/zinc/33/88/42/182338842.db2.gz SOEAYADLXRXWBO-ZDUSSCGKSA-N 0 0 245.322 2.817 50 0 BFAARN O=C(Nc1cc(F)ccc1F)c1cccnc1 ZINC000013325594 182350429 /nfs/dbraw/zinc/35/04/29/182350429.db2.gz ZXUXIULIEGKAEJ-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1ccc(=S)[nH]n1)c1ccc(F)cc1 ZINC000061966013 182353018 /nfs/dbraw/zinc/35/30/18/182353018.db2.gz BHJBZWVDSHAJKC-UHFFFAOYSA-N 0 0 249.270 2.531 50 0 BFAARN O=C(Nc1ccno1)Nc1ccc(Cl)cc1 ZINC000000122418 182353091 /nfs/dbraw/zinc/35/30/91/182353091.db2.gz NXJZZXFBDDPWGX-UHFFFAOYSA-N 0 0 237.646 2.972 50 0 BFAARN O=C(Nc1ccc(Cl)cc1O)c1ccc[nH]1 ZINC000095976262 182354472 /nfs/dbraw/zinc/35/44/72/182354472.db2.gz ZVUJQCGJAHYCFE-UHFFFAOYSA-N 0 0 236.658 2.626 50 0 BFAARN O=C(Nc1ccc(F)c(F)c1)N1CCCC1 ZINC000045297161 182355773 /nfs/dbraw/zinc/35/57/73/182355773.db2.gz QDSVKLJYZAPHAG-UHFFFAOYSA-N 0 0 226.226 2.593 50 0 BFAARN O=C(Nc1ccc(F)cc1)NC1CCCC1 ZINC000006700372 182355950 /nfs/dbraw/zinc/35/59/50/182355950.db2.gz CUXAXQQCQOIMQA-UHFFFAOYSA-N 0 0 222.263 2.890 50 0 BFAARN O=C(Nc1ccc(F)cc1F)c1ccco1 ZINC000000210098 182356411 /nfs/dbraw/zinc/35/64/11/182356411.db2.gz NCISZYGNZTUTJJ-UHFFFAOYSA-N 0 0 223.178 2.810 50 0 BFAARN O=C(Nc1ccc(F)cc1F)C1CCC1 ZINC000003287003 182356669 /nfs/dbraw/zinc/35/66/69/182356669.db2.gz PXUOPEATGYWTIK-UHFFFAOYSA-N 0 0 211.211 2.703 50 0 BFAARN O=C(Nc1ccc(F)cc1F)NC1CCC1 ZINC000013331735 182356706 /nfs/dbraw/zinc/35/67/06/182356706.db2.gz CUSHRAKZBJPDPJ-UHFFFAOYSA-N 0 0 226.226 2.639 50 0 BFAARN O=C(Nc1ccc(O)cc1)[C@@H]1CC=CCC1 ZINC000000351682 182360235 /nfs/dbraw/zinc/36/02/35/182360235.db2.gz CYGUEFBLPFEAOS-SNVBAGLBSA-N 0 0 217.268 2.687 50 0 aggregator BFAARN O=C(Nc1ccc(O)cc1)c1ccc(F)cc1 ZINC000005513353 182360740 /nfs/dbraw/zinc/36/07/40/182360740.db2.gz BIEXWTLSOKJVPK-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1ccc2c(c1)CCO2)[C@H]1CC=CCC1 ZINC000031343235 182364145 /nfs/dbraw/zinc/36/41/45/182364145.db2.gz RFYGAKFAJWMNKE-NSHDSACASA-N 0 0 243.306 2.916 50 0 BFAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC=CCC1 ZINC000007597968 182365539 /nfs/dbraw/zinc/36/55/39/182365539.db2.gz RVHJYAWBGREYDM-SNVBAGLBSA-N 0 0 245.278 2.710 50 0 BFAARN O=C(Nc1ccc2nsnc2c1)c1ccco1 ZINC000015841205 182366312 /nfs/dbraw/zinc/36/63/12/182366312.db2.gz VTPHNFPKHCCTOQ-UHFFFAOYSA-N 0 0 245.263 2.537 50 0 BFAARN O=C(Nc1ccccc1)[C@@H]1CC=CCC1 ZINC000003111394 182377342 /nfs/dbraw/zinc/37/73/42/182377342.db2.gz IXBVBLXFAJUYKZ-LLVKDONJSA-N 0 0 201.269 2.981 50 0 BFAARN O=C(Nc1ccccc1Cl)N1CCCC1 ZINC000000397515 182377977 /nfs/dbraw/zinc/37/79/77/182377977.db2.gz CRQLZIXKOUIHNW-UHFFFAOYSA-N 0 0 224.691 2.968 50 0 BFAARN O=C(Nc1ccccc1)c1ccc2c(c1)CCO2 ZINC000000168875 182378143 /nfs/dbraw/zinc/37/81/43/182378143.db2.gz AZVLKIGOXAXQCO-UHFFFAOYSA-N 0 0 239.274 2.874 50 0 BFAARN O=C(Nc1cccc(Cl)c1)C(F)(F)F ZINC000000368461 182368863 /nfs/dbraw/zinc/36/88/63/182368863.db2.gz VRKVCIVKSRGSLU-UHFFFAOYSA-N 0 0 223.581 2.841 50 0 BFAARN O=C(Nc1cccc(O)c1)c1ccc(F)cc1 ZINC000000321039 182371631 /nfs/dbraw/zinc/37/16/31/182371631.db2.gz XKFVVRXJSRTSKR-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1cccc(OC(F)F)c1)NC1CC1 ZINC000047908626 182371705 /nfs/dbraw/zinc/37/17/05/182371705.db2.gz NZULLLFMGLQTOU-UHFFFAOYSA-N 0 0 242.225 2.572 50 0 BFAARN O=C(Nc1ccccc1F)OCC(F)(F)F ZINC000003086115 182379631 /nfs/dbraw/zinc/37/96/31/182379631.db2.gz SJGCLODTAXBKGC-UHFFFAOYSA-N 0 0 237.152 2.937 50 0 BFAARN O=C(Nc1cccc2cccnc21)C(F)(F)F ZINC000000973515 182373264 /nfs/dbraw/zinc/37/32/64/182373264.db2.gz YXWUOVBRRVKKQF-UHFFFAOYSA-N 0 0 240.184 2.736 50 0 BFAARN O=C(Nc1ccsc1)c1ccncc1F ZINC000161432273 182391596 /nfs/dbraw/zinc/39/15/96/182391596.db2.gz FTPZVDVDTIKILM-UHFFFAOYSA-N 0 0 222.244 2.535 50 0 BFAARN O=C(Nc1cnc2ccccc2c1)c1ccccn1 ZINC000021146274 182391998 /nfs/dbraw/zinc/39/19/98/182391998.db2.gz WXKZZMJPFHUPGV-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1ccccc1O)c1ccccc1 ZINC000000064939 182380622 /nfs/dbraw/zinc/38/06/22/182380622.db2.gz UYKVWAQEMQDRGG-UHFFFAOYSA-N 0 0 213.236 2.645 50 0 BFAARN O=C(Nc1ccccc1O)c1cccc(F)c1 ZINC000009459056 182381094 /nfs/dbraw/zinc/38/10/94/182381094.db2.gz HPFPLLAXJLZQSV-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1cccnc1)c1cc(F)cc(F)c1 ZINC000012485555 182383592 /nfs/dbraw/zinc/38/35/92/182383592.db2.gz DLRLLFLHKVWOFJ-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1cccnc1)c1ccc(F)c(F)c1 ZINC000022662132 182383741 /nfs/dbraw/zinc/38/37/41/182383741.db2.gz GEALXINOAKIWDF-UHFFFAOYSA-N 0 0 234.205 2.612 50 0 BFAARN O=C(Nc1ccncc1)c1cccc2cccnc21 ZINC000012537659 182387474 /nfs/dbraw/zinc/38/74/74/182387474.db2.gz DVXTVQPHFFWHSM-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1nc2ccccc2[nH]1)c1ccsc1 ZINC000017304143 182398390 /nfs/dbraw/zinc/39/83/90/182398390.db2.gz LMRUDXQVXMSURI-UHFFFAOYSA-N 0 0 243.291 2.877 50 0 BFAARN O=C(Nc1cnoc1)c1cc2ccccc2o1 ZINC000075170822 182396645 /nfs/dbraw/zinc/39/66/45/182396645.db2.gz RMWALWKQVVVBEU-UHFFFAOYSA-N 0 0 228.207 2.673 50 0 BFAARN O=C(OC1CCCCC1)c1ccnc(F)c1 ZINC000063450841 182601236 /nfs/dbraw/zinc/60/12/36/182601236.db2.gz IASYDCCKZIEHAK-UHFFFAOYSA-N 0 0 223.247 2.710 50 0 BFAARN CCCCOC(OCCCC)C(C)=O ZINC000001605936 168887393 /nfs/dbraw/zinc/88/73/93/168887393.db2.gz HCSCGYDLFNSHLE-UHFFFAOYSA-N 0 0 202.294 2.535 50 0 BFAARN O=C(c1ccc(F)c(F)c1)c1ccccn1 ZINC000043210492 182660158 /nfs/dbraw/zinc/66/01/58/182660158.db2.gz MKGAISLAGNOFSW-UHFFFAOYSA-N 0 0 219.190 2.591 50 0 BFAARN O=C(c1ccncc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000032819479 182689448 /nfs/dbraw/zinc/68/94/48/182689448.db2.gz ZPNWDGQIKSHZCH-GXTWGEPZSA-N 0 0 244.338 2.876 50 0 BFAARN O=C(c1ccccn1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000032819473 182681691 /nfs/dbraw/zinc/68/16/91/182681691.db2.gz XFQBZGGPDQQECT-GXTWGEPZSA-N 0 0 244.338 2.876 50 0 BFAARN CCOC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000002549400 170248306 /nfs/dbraw/zinc/24/83/06/170248306.db2.gz VUORDMCVSLAQAB-LLVKDONJSA-N 0 0 222.284 2.634 50 0 BFAARN O=C(c1noc2c1CCCC2)N1CCCCCC1 ZINC000007000303 182710025 /nfs/dbraw/zinc/71/00/25/182710025.db2.gz WHMFTTWVEKJDSU-UHFFFAOYSA-N 0 0 248.326 2.570 50 0 BFAARN O=C1CC(c2cccnc2)=Nc2ccccc2N1 ZINC000001513543 182720860 /nfs/dbraw/zinc/72/08/60/182720860.db2.gz ZOMWIGSNYJWPOV-UHFFFAOYSA-N 0 0 237.262 2.545 50 0 BFAARN O=C1CC[C@@]2(CCCC[C@H]2c2ccccc2)N1 ZINC000044124790 182751169 /nfs/dbraw/zinc/75/11/69/182751169.db2.gz SNDDYBGPSCGBOE-DZGCQCFKSA-N 0 0 229.323 2.993 50 0 BFAARN O=C1CCc2cccc(C(F)(F)F)c21 ZINC000054965486 182756713 /nfs/dbraw/zinc/75/67/13/182756713.db2.gz RHHGHWBHOQXKNZ-UHFFFAOYSA-N 0 0 200.159 2.834 50 0 BFAARN O=C1C[C@H](c2ccc(Cl)c(Cl)c2)CN1 ZINC000091691848 182784768 /nfs/dbraw/zinc/78/47/68/182784768.db2.gz QZRJFUBGLZHBHU-ZETCQYMHSA-N 0 0 230.094 2.597 50 0 BFAARN CCOC(=O)c1c(F)cccc1Br ZINC000047202646 170289078 /nfs/dbraw/zinc/28/90/78/170289078.db2.gz OEFDOVREWMJGGR-UHFFFAOYSA-N 0 0 247.063 2.765 50 0 BFAARN O=C1c2ccccc2OCOc2ccccc21 ZINC000000436292 182845528 /nfs/dbraw/zinc/84/55/28/182845528.db2.gz FNVGZXGJWNWWMY-UHFFFAOYSA-N 0 0 226.231 2.646 50 0 BFAARN O=C1Nc2ccccc2/C1=C/c1ccccn1 ZINC000004115555 182824785 /nfs/dbraw/zinc/82/47/85/182824785.db2.gz YKQONSWBHGBDSB-XFXZXTDPSA-N 0 0 222.247 2.574 50 0 BFAARN O=C1Nc2ccccc2Cc2ccccc21 ZINC000001728109 182824900 /nfs/dbraw/zinc/82/49/00/182824900.db2.gz NBMZFZYJLLEMDG-UHFFFAOYSA-N 0 0 209.248 2.843 50 0 BFAARN O=C1Nc2ccccc2[C@@H]1Cc1ccco1 ZINC000096834550 182826006 /nfs/dbraw/zinc/82/60/06/182826006.db2.gz VJOUAALJLFAXRJ-NSHDSACASA-N 0 0 213.236 2.558 50 0 BFAARN O=C1OCC[C@@]23CC=CC[C@@]12CCCC3 ZINC000045028076 182830333 /nfs/dbraw/zinc/83/03/33/182830333.db2.gz ITCACGSPBXVUJH-QWHCGFSZSA-N 0 0 206.285 2.830 50 0 BFAARN O=Cc1cc(Cl)c(Cl)c(C=O)c1 ZINC000000495024 182862049 /nfs/dbraw/zinc/86/20/49/182862049.db2.gz SKCOBKDMIOUPGW-UHFFFAOYSA-N 0 0 203.024 2.618 50 0 BFAARN O=Cc1ccc(-n2nncc2-c2ccccc2)cc1 ZINC000000084026 182865804 /nfs/dbraw/zinc/86/58/04/182865804.db2.gz LAVFRXHFQGXXRF-UHFFFAOYSA-N 0 0 249.273 2.747 50 0 BFAARN O=Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC000002579176 182868960 /nfs/dbraw/zinc/86/89/60/182868960.db2.gz ZTBIQWAGWYPSHC-UHFFFAOYSA-N 0 0 222.137 2.736 50 0 BFAARN O=Cc1cnc(-c2cccc(Cl)c2)nc1 ZINC000008730987 182874282 /nfs/dbraw/zinc/87/42/82/182874282.db2.gz IPUCTROOLKJTMB-UHFFFAOYSA-N 0 0 218.643 2.610 50 0 BFAARN O=Cc1cnn(-c2ccc3ccccc3c2)c1 ZINC000006865072 182875283 /nfs/dbraw/zinc/87/52/83/182875283.db2.gz ZQTOQSZEFKUAKA-UHFFFAOYSA-N 0 0 222.247 2.838 50 0 BFAARN O=S(=O)(Cc1ccccc1)Oc1ccccc1 ZINC000001557056 182891148 /nfs/dbraw/zinc/89/11/48/182891148.db2.gz DTVYDCGCCHOJMQ-UHFFFAOYSA-N 0 0 248.303 2.595 50 0 BFAARN O=[N+]([O-])/C=C/c1csc2c1CCCC2 ZINC000020515395 182919010 /nfs/dbraw/zinc/91/90/10/182919010.db2.gz RTXDTGPEIOGEQR-AATRIKPKSA-N 0 0 209.270 2.874 50 0 BFAARN CCCCOc1cccc(NC(C)=O)c1 ZINC000009777927 168919549 /nfs/dbraw/zinc/91/95/49/168919549.db2.gz RESWNIAVSXLLNZ-UHFFFAOYSA-N 0 0 207.273 2.824 50 0 BFAARN O=[S@@](Nc1ccccc1)c1ccccc1 ZINC000005484512 182965173 /nfs/dbraw/zinc/96/51/73/182965173.db2.gz VLJMBCZQJWXJAW-HNNXBMFYSA-N 0 0 217.293 2.821 50 0 BFAARN O=c1cc[nH]c2cc(C(F)(F)F)ccc12 ZINC000008577701 182998407 /nfs/dbraw/zinc/99/84/07/182998407.db2.gz OWPLFJSQLPTCHS-UHFFFAOYSA-N 0 0 213.158 2.547 50 0 BFAARN O=c1ccc(F)cn1Cc1ccccc1Cl ZINC000071516308 183000021 /nfs/dbraw/zinc/00/00/21/183000021.db2.gz BVSJZNFJPBSXBG-UHFFFAOYSA-N 0 0 237.661 2.689 50 0 BFAARN O=c1ccc(F)cn1CCCc1cccc(F)c1 ZINC000190747220 183000116 /nfs/dbraw/zinc/00/01/16/183000116.db2.gz AKNFGSKDKIUKAM-UHFFFAOYSA-N 0 0 249.260 2.759 50 0 BFAARN O=c1ccc2cccc(Br)c2o1 ZINC000038313360 183000694 /nfs/dbraw/zinc/00/06/94/183000694.db2.gz BIVMXYHSBRLPDE-UHFFFAOYSA-N 0 0 225.041 2.556 50 0 BFAARN O=c1ccccn1C/C=C/c1ccccc1 ZINC000069440134 183002003 /nfs/dbraw/zinc/00/20/03/183002003.db2.gz AQYKGSFQMIIZGF-RMKNXTFCSA-N 0 0 211.264 2.562 50 0 BFAARN O=c1ccccn1Cc1c(F)cccc1Cl ZINC000000540990 183002494 /nfs/dbraw/zinc/00/24/94/183002494.db2.gz BDNSUUBNRLYWDN-UHFFFAOYSA-N 0 0 237.661 2.689 50 0 BFAARN O=c1ccn(Cc2ccccn2)c2ccsc21 ZINC000097094997 183004355 /nfs/dbraw/zinc/00/43/55/183004355.db2.gz LQGUHYBPNMBTBO-UHFFFAOYSA-N 0 0 242.303 2.506 50 0 BFAARN O=c1ccsn1-c1cccc(C(F)(F)F)c1 ZINC000033962287 183006602 /nfs/dbraw/zinc/00/66/02/183006602.db2.gz FOOKBLPTJVMTAU-UHFFFAOYSA-N 0 0 245.225 2.918 50 0 BFAARN O=c1ccoc2ccc(Br)cc12 ZINC000000057934 183007237 /nfs/dbraw/zinc/00/72/37/183007237.db2.gz XVNBWGGBXOJIDR-UHFFFAOYSA-N 0 0 225.041 2.556 50 0 BFAARN O=C1C[C@@H](c2c(F)cccc2F)c2c[nH]nc2N1 ZINC000020745794 183026504 /nfs/dbraw/zinc/02/65/04/183026504.db2.gz DLGQTZPIINOLRL-ZCFIWIBFSA-N 0 0 249.220 2.812 50 0 BFAARN OCC/C=C/CCCCO[C@@H]1CCCCO1 ZINC000043761499 183034556 /nfs/dbraw/zinc/03/45/56/183034556.db2.gz BSDWMRHTDLMCNJ-CHWPNHQFSA-N 0 0 228.332 2.639 50 0 BFAARN OCCCOc1cccc2ccccc21 ZINC000001719122 183062008 /nfs/dbraw/zinc/06/20/08/183062008.db2.gz VYNCQICJXQWJRR-UHFFFAOYSA-N 0 0 202.253 2.601 50 0 BFAARN OC[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000014235579 183120030 /nfs/dbraw/zinc/12/00/30/183120030.db2.gz VCSQMSVLVVGIPJ-SNVBAGLBSA-N 0 0 248.351 2.505 50 0 BFAARN CCCC[C@H]1CC(=O)CN1C(=O)OC(C)(C)C ZINC000016125349 169013238 /nfs/dbraw/zinc/01/32/38/169013238.db2.gz RZUVQBCRNRHRSJ-JTQLQIEISA-N 0 0 241.331 2.755 50 0 BFAARN CCCCc1cc(=O)oc2cc(O)ccc12 ZINC000002976466 169017776 /nfs/dbraw/zinc/01/77/76/169017776.db2.gz BPCUVPFNRWFFIJ-UHFFFAOYSA-N 0 0 218.252 2.841 50 0 BFAARN CCCCc1cc(=O)oc2cc(O)cc(O)c12 ZINC000006359915 169018593 /nfs/dbraw/zinc/01/85/93/169018593.db2.gz MLSSEIYJTVDKTK-UHFFFAOYSA-N 0 0 234.251 2.547 50 0 biogenic BFAARN CCCCC1N=NC(=S)N1c1ccccc1 ZINC000018204169 169028958 /nfs/dbraw/zinc/02/89/58/169028958.db2.gz LBIZWNXMKDHFRJ-UHFFFAOYSA-N 0 0 233.340 2.899 50 0 BFAARN CCCCn1c(COC)nc2ccccc21 ZINC000001926901 169033832 /nfs/dbraw/zinc/03/38/32/169033832.db2.gz GQPRBPDZQMIJMK-UHFFFAOYSA-N 0 0 218.300 2.983 50 0 BFAARN CCCCn1cnc2sc(C)c(C)c2c1=O ZINC000001775286 169036157 /nfs/dbraw/zinc/03/61/57/169036157.db2.gz URODODONHWZCRH-UHFFFAOYSA-N 0 0 236.340 2.875 50 0 BFAARN OCc1c(Cl)cc(Cl)nc1Cl ZINC000091351535 183160863 /nfs/dbraw/zinc/16/08/63/183160863.db2.gz GAXGSDVCHFFUOP-UHFFFAOYSA-N 0 0 212.463 2.534 50 0 BFAARN OCc1cc2cc(Br)ccc2o1 ZINC000004277338 183161801 /nfs/dbraw/zinc/16/18/01/183161801.db2.gz JYYWIDBNICYLBN-UHFFFAOYSA-N 0 0 227.057 2.688 50 0 BFAARN OCc1cc2cc(Cl)c(Cl)cc2[nH]1 ZINC000012506050 183162090 /nfs/dbraw/zinc/16/20/90/183162090.db2.gz WROJWFRHNGIGNQ-UHFFFAOYSA-N 0 0 216.067 2.967 50 0 BFAARN CCCN(C(=O)Nc1cc(C)ccn1)C1CC1 ZINC000096010654 169043540 /nfs/dbraw/zinc/04/35/40/169043540.db2.gz CGNQZXAKJAWJAU-UHFFFAOYSA-N 0 0 233.315 2.796 50 0 BFAARN OCc1cccc(-c2cccc(F)c2)c1 ZINC000001256576 183166774 /nfs/dbraw/zinc/16/67/74/183166774.db2.gz CLSHQMJYOAPMAB-UHFFFAOYSA-N 0 0 202.228 2.985 50 0 BFAARN OCc1nn(Cc2ccccc2)c2ccccc12 ZINC000002381607 183171317 /nfs/dbraw/zinc/17/13/17/183171317.db2.gz AKQDXNFPEFHRLS-UHFFFAOYSA-N 0 0 238.290 2.577 50 0 BFAARN O[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000039332297 183205636 /nfs/dbraw/zinc/20/56/36/183205636.db2.gz RRLMGKSFHNZBGB-MRVPVSSYSA-N 0 0 221.687 2.671 50 0 BFAARN O[C@H](c1nccn1CC1CCC1)c1ccccc1 ZINC000154869632 183186074 /nfs/dbraw/zinc/18/60/74/183186074.db2.gz JMBARQBTTHCMKN-AWEZNQCLSA-N 0 0 242.322 2.765 50 0 BFAARN O[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000030952732 183186156 /nfs/dbraw/zinc/18/61/56/183186156.db2.gz FBGQCTZCPITIQD-LBPRGKRZSA-N 0 0 219.671 2.817 50 0 BFAARN O[C@@H](c1ccco1)c1nccc2ccccc21 ZINC000000564646 183187292 /nfs/dbraw/zinc/18/72/92/183187292.db2.gz HAOHDEQITLWMIZ-AWEZNQCLSA-N 0 0 225.247 2.910 50 0 BFAARN O[C@H]1O[C@H](c2ccccc2)c2ccccc21 ZINC000071773900 183249553 /nfs/dbraw/zinc/24/95/53/183249553.db2.gz XAXUZULEMMAVME-KGLIPLIRSA-N 0 0 212.248 2.797 50 0 BFAARN Oc1c(Br)ccc2cccnc12 ZINC000013208442 183253201 /nfs/dbraw/zinc/25/32/01/183253201.db2.gz ICKPMTNGWVNOGC-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Oc1c(Br)cccc1OC(F)F ZINC000170641258 183253428 /nfs/dbraw/zinc/25/34/28/183253428.db2.gz LLHBDUJKZBAQMI-UHFFFAOYSA-N 0 0 239.015 2.756 50 0 BFAARN O[C@@H]1CCCCc2ccc(cc2)CCCC[C@@H]1O ZINC000004795133 183234342 /nfs/dbraw/zinc/23/43/42/183234342.db2.gz JXIHXAVCJYWKDJ-IYBDPMFKSA-N 0 0 248.366 2.848 50 0 BFAARN O[C@H]1CCCOc2cc(Br)ccc21 ZINC000037180244 183235393 /nfs/dbraw/zinc/23/53/93/183235393.db2.gz AKQLFBDVHAOWOY-VIFPVBQESA-N 0 0 243.100 2.655 50 0 BFAARN O[C@H]1CCC[C@H]1Nc1ccccc1Cl ZINC000037689902 183237758 /nfs/dbraw/zinc/23/77/58/183237758.db2.gz YXXTYANVBPPGJY-MNOVXSKESA-N 0 0 211.692 2.665 50 0 BFAARN Oc1ccc(Cl)cc1Br ZINC000000404310 183273962 /nfs/dbraw/zinc/27/39/62/183273962.db2.gz ZIYRDJLAJYTELF-UHFFFAOYSA-N 0 0 207.454 2.808 50 0 in-vitro BFAARN Oc1ccc(OC2CCCCC2)nc1F ZINC000261493959 183277368 /nfs/dbraw/zinc/27/73/68/183277368.db2.gz MSQBWANEWREQSU-UHFFFAOYSA-N 0 0 211.236 2.638 50 0 BFAARN Oc1cc(Br)ccc1-c1ncc[nH]1 ZINC000095616726 183256383 /nfs/dbraw/zinc/25/63/83/183256383.db2.gz DMARJHVWFFDMSN-UHFFFAOYSA-N 0 0 239.072 2.545 50 0 BFAARN O=c1cc(C(F)(F)F)nc(-c2cccs2)[nH]1 ZINC000017967732 183257131 /nfs/dbraw/zinc/25/71/31/183257131.db2.gz KUNMEZHIGMXGCW-UHFFFAOYSA-N 0 0 246.213 2.930 50 0 BFAARN CCCN(CCC)C(=O)N[C@@H](C)CC ZINC000013745901 169143116 /nfs/dbraw/zinc/14/31/16/169143116.db2.gz VYVSMUCIHZTSJP-JTQLQIEISA-N 0 0 200.326 2.617 50 0 BFAARN CCCN(CCC)C(=O)c1ccc(OC)cc1 ZINC000000029527 169145586 /nfs/dbraw/zinc/14/55/86/169145586.db2.gz JBHQSYJVSKDCNK-UHFFFAOYSA-N 0 0 235.327 2.957 50 0 BFAARN Oc1cc2c(cc1Br)CCC2 ZINC000034616592 183262170 /nfs/dbraw/zinc/26/21/70/183262170.db2.gz WXNQTFRWOCSCPY-UHFFFAOYSA-N 0 0 213.074 2.643 50 0 BFAARN Oc1ccc2c(c1)oc1cc(O)ccc12 ZINC000004009107 183282616 /nfs/dbraw/zinc/28/26/16/183282616.db2.gz CITXJRIERIBQDR-UHFFFAOYSA-N 0 0 200.193 2.997 50 0 biogenic BFAARN O=c1ccc2ccc(C(F)(F)F)[nH]c-2c1 ZINC000006320807 183284376 /nfs/dbraw/zinc/28/43/76/183284376.db2.gz UWBLTDHXQBGGNX-UHFFFAOYSA-N 0 0 213.158 2.959 50 0 BFAARN [O-][n+]1ccccc1OCc1ccc(Cl)cc1 ZINC000006586189 183319245 /nfs/dbraw/zinc/31/92/45/183319245.db2.gz WKEDBYUHOBFEAV-UHFFFAOYSA-N 0 0 235.670 2.552 50 0 BFAARN c1c2nc(N3CCCC3)sc2cc2c1OCO2 ZINC000004137903 183323488 /nfs/dbraw/zinc/32/34/88/183323488.db2.gz GDINJVIMUHTVEQ-UHFFFAOYSA-N 0 0 248.307 2.625 50 0 BFAARN O=c1ncc(Oc2ccc(Cl)cc2)c[nH]1 ZINC000025981829 183309291 /nfs/dbraw/zinc/30/92/91/183309291.db2.gz QDMLLRTTXHNIOL-UHFFFAOYSA-N 0 0 222.631 2.628 50 0 BFAARN S=C1NC2(CCCC2)Cc2ccccc21 ZINC000000292896 183312246 /nfs/dbraw/zinc/31/22/46/183312246.db2.gz WDNUJDALDRBGCM-UHFFFAOYSA-N 0 0 217.337 2.821 50 0 BFAARN CCCNC(=O)CSCc1cccc(C)c1 ZINC000040161055 169231493 /nfs/dbraw/zinc/23/14/93/169231493.db2.gz XHHIUIJGWPGZLK-UHFFFAOYSA-N 0 0 237.368 2.754 50 0 BFAARN CCCNC(=O)CSc1ccc(C)cc1 ZINC000004547365 169232639 /nfs/dbraw/zinc/23/26/39/169232639.db2.gz NQYFFDDAMPKKJF-UHFFFAOYSA-N 0 0 223.341 2.613 50 0 BFAARN CCCNC(=O)C[C@@H](C)c1ccccc1 ZINC000005591224 169232831 /nfs/dbraw/zinc/23/28/31/169232831.db2.gz HLCLMJMOSKYAEO-LLVKDONJSA-N 0 0 205.301 2.706 50 0 BFAARN CCCNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000005468508 169212334 /nfs/dbraw/zinc/21/23/34/169212334.db2.gz JFLZNEOOZPROPS-VMPITWQZSA-N 0 0 223.703 2.879 50 0 BFAARN CCCNC(=O)CCSc1ccccc1F ZINC000052736158 169218232 /nfs/dbraw/zinc/21/82/32/169218232.db2.gz PCXQMOPGNBYAHV-UHFFFAOYSA-N 0 0 241.331 2.834 50 0 BFAARN CCCNC(=O)CCc1ccccc1OCC ZINC000044869111 169218243 /nfs/dbraw/zinc/21/82/43/169218243.db2.gz XCXRPSIGZNQXDX-UHFFFAOYSA-N 0 0 235.327 2.544 50 0 BFAARN CCCNC(=S)Nc1cccc(C)c1 ZINC000002818031 169254524 /nfs/dbraw/zinc/25/45/24/169254524.db2.gz RROCFCXTGRFAKK-UHFFFAOYSA-N 0 0 208.330 2.691 50 0 BFAARN CCCNC(=S)Nc1ccc(C)cc1C ZINC000002782791 169255071 /nfs/dbraw/zinc/25/50/71/169255071.db2.gz AFOQGRQJWGQCMC-UHFFFAOYSA-N 0 0 222.357 3.000 50 0 BFAARN CCCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000015837785 169235450 /nfs/dbraw/zinc/23/54/50/169235450.db2.gz VLTWFFAPLRIRPD-JTQLQIEISA-N 0 0 222.288 2.536 50 0 BFAARN CCCNC(=O)Nc1cc(C)ccc1F ZINC000006727210 169239319 /nfs/dbraw/zinc/23/93/19/169239319.db2.gz BFWDULUZUJJDKF-UHFFFAOYSA-N 0 0 210.252 2.666 50 0 BFAARN CCCNC(=O)Nc1ccc(SC)cc1 ZINC000040004959 169239850 /nfs/dbraw/zinc/23/98/50/169239850.db2.gz ZMHXJQAGMDNEQN-UHFFFAOYSA-N 0 0 224.329 2.940 50 0 BFAARN CCCNC(=O)Nc1ccc(C)c(F)c1 ZINC000002167750 169240121 /nfs/dbraw/zinc/24/01/21/169240121.db2.gz IGNCHLNFZGGJNY-UHFFFAOYSA-N 0 0 210.252 2.666 50 0 BFAARN c1c(-c2ccccn2)n[nH]c1-c1ccccn1 ZINC000014808554 183378088 /nfs/dbraw/zinc/37/80/88/183378088.db2.gz IMDRKCUYKQQEAC-UHFFFAOYSA-N 0 0 222.251 2.534 50 0 BFAARN c1nncn1Cc1cccc(-c2ccccc2)c1 ZINC000065370701 183379826 /nfs/dbraw/zinc/37/98/26/183379826.db2.gz PUMMIHVJPIKYOS-UHFFFAOYSA-N 0 0 235.290 2.993 50 0 BFAARN CCCNC(=O)c1cc(-c2ccc(C)s2)n[nH]1 ZINC000032060200 169249519 /nfs/dbraw/zinc/24/95/19/169249519.db2.gz YSKHITMFMRZFMU-UHFFFAOYSA-N 0 0 249.339 2.586 50 0 BFAARN CCCNC(=O)c1ccc(Br)s1 ZINC000013322883 169251261 /nfs/dbraw/zinc/25/12/61/169251261.db2.gz YRLNOXHJFHHLRC-UHFFFAOYSA-N 0 0 248.145 2.650 50 0 BFAARN CCCNC(=O)c1ccc(Br)cc1 ZINC000004546069 169251479 /nfs/dbraw/zinc/25/14/79/169251479.db2.gz HFHYZJDMVOCWSV-UHFFFAOYSA-N 0 0 242.116 2.589 50 0 BFAARN c1ccc(C2=NCCN3[C@@H](c4ccccc4)[C@@H]23)cc1 ZINC000023243458 183388688 /nfs/dbraw/zinc/38/86/88/183388688.db2.gz QVPANXFAXRPUEK-PZEDNMLSSA-N 0 0 248.329 2.915 50 0 BFAARN c1ccc(CCc2noc([C@@H]3CCCO3)n2)cc1 ZINC000113746757 183395508 /nfs/dbraw/zinc/39/55/08/183395508.db2.gz CVAFHVXPCFJTEY-LBPRGKRZSA-N 0 0 244.294 2.706 50 0 BFAARN CCCOC(=O)c1c(N)sc(C)c1CC ZINC000005793448 169300250 /nfs/dbraw/zinc/30/02/50/169300250.db2.gz VDHFCUASJUAIOW-UHFFFAOYSA-N 0 0 227.329 2.768 50 0 BFAARN CCCOC(=O)c1ccc(NC(=O)CC)cc1 ZINC000001807991 169300843 /nfs/dbraw/zinc/30/08/43/169300843.db2.gz ITNRCWVFPMGWPX-UHFFFAOYSA-N 0 0 235.283 2.602 50 0 BFAARN c1ccc(NCc2nnc3n2CCCCC3)cc1 ZINC000003171849 183418153 /nfs/dbraw/zinc/41/81/53/183418153.db2.gz OOJNELXWRKRYSI-UHFFFAOYSA-N 0 0 242.326 2.617 50 0 BFAARN CCCOc1ccc(C(=O)N2CCCC2)cc1 ZINC000006702568 169317319 /nfs/dbraw/zinc/31/73/19/169317319.db2.gz CKJLUROLWAOIFX-UHFFFAOYSA-N 0 0 233.311 2.711 50 0 BFAARN CCCSc1nc2c3ccccc3ncn2n1 ZINC000007786563 169341723 /nfs/dbraw/zinc/34/17/23/169341723.db2.gz GVTREILNTCYSAK-UHFFFAOYSA-N 0 0 244.323 2.780 50 0 BFAARN CCCOc1ccc(N)cc1Br ZINC000043597748 169319465 /nfs/dbraw/zinc/31/94/65/169319465.db2.gz GREYEHSGVNQLTK-UHFFFAOYSA-N 0 0 230.105 2.820 50 0 BFAARN CCC[C@@H](C)C(=O)NCc1ccccc1F ZINC000032994778 169351109 /nfs/dbraw/zinc/35/11/09/169351109.db2.gz LKXKESQEOARLQM-SNVBAGLBSA-N 0 0 223.291 2.878 50 0 BFAARN CCC[C@@H](C)CC(C(=O)OCC)C(=O)OCC ZINC000001713975 169357370 /nfs/dbraw/zinc/35/73/70/169357370.db2.gz GSEKUTHOMWBXQU-SNVBAGLBSA-N 0 0 244.331 2.555 50 0 BFAARN CCC[C@@H](C)Nc1ccn(CC(F)F)n1 ZINC000097037890 169372169 /nfs/dbraw/zinc/37/21/69/169372169.db2.gz VUTVPZHVVFQQRU-MRVPVSSYSA-N 0 0 217.263 2.749 50 0 BFAARN c1cc(-c2cnc(-c3cccnc3)s2)n[nH]1 ZINC000043798945 183489790 /nfs/dbraw/zinc/48/97/90/183489790.db2.gz UTVBEBUKJQEPHD-UHFFFAOYSA-N 0 0 228.280 2.595 50 0 BFAARN CCC[C@H](C)NC(=O)c1cccc(OC)c1 ZINC000000477592 169492825 /nfs/dbraw/zinc/49/28/25/169492825.db2.gz MWBPCZNMXWVNPV-JTQLQIEISA-N 0 0 221.300 2.614 50 0 BFAARN CCC[C@H](C)c1cc(NC(=O)C2CC2)n[nH]1 ZINC000078942438 169495731 /nfs/dbraw/zinc/49/57/31/169495731.db2.gz AFDSKKMDIFNFGN-QMMMGPOBSA-N 0 0 221.304 2.662 50 0 BFAARN CCCc1cc2ccc(=O)oc2cc1OC ZINC000001017926 169567839 /nfs/dbraw/zinc/56/78/39/169567839.db2.gz CXQXGTUMJYCTAL-UHFFFAOYSA-N 0 0 218.252 2.754 50 0 BFAARN CCCc1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000013331133 169570131 /nfs/dbraw/zinc/57/01/31/169570131.db2.gz ZCGIIKXSWBFCDF-CQSZACIVSA-N 0 0 247.338 2.548 50 0 BFAARN CCCn1nccc1NC(=O)c1ccc(C)s1 ZINC000031770633 169626002 /nfs/dbraw/zinc/62/60/02/169626002.db2.gz SFPOHVXOLKMEHD-UHFFFAOYSA-N 0 0 249.339 2.915 50 0 BFAARN CCN(C(=O)NC)c1ccc(Cl)cc1 ZINC000019877949 169641794 /nfs/dbraw/zinc/64/17/94/169641794.db2.gz IOMRWUDPUDPNSQ-UHFFFAOYSA-N 0 0 212.680 2.506 50 0 BFAARN FC(F)(F)c1ccc2nsnc2c1 ZINC000000071474 383821108 /nfs/dbraw/zinc/82/11/08/383821108.db2.gz KUFWKXPZEWUROO-UHFFFAOYSA-N 0 0 204.176 2.710 50 0 BFAARN Cc1n[nH]c(C)c1Sc1ccccc1N ZINC000000086057 383824540 /nfs/dbraw/zinc/82/45/40/383824540.db2.gz OXZGNCVDJZPDAX-UHFFFAOYSA-N 0 0 219.313 2.760 50 0 BFAARN CC(=O)c1cc(Br)cs1 ZINC000000161650 383835531 /nfs/dbraw/zinc/83/55/31/383835531.db2.gz HXVLWNKFMNRJED-UHFFFAOYSA-N 0 0 205.076 2.713 50 0 BFAARN C[C@](O)(C(=O)c1ccccc1)c1ccccc1 ZINC000000157102 383836656 /nfs/dbraw/zinc/83/66/56/383836656.db2.gz DIVXVZXROTWKIH-OAHLLOKOSA-N 0 0 226.275 2.777 50 0 BFAARN COc1ccc([C@@H](O)c2ccccc2)cc1 ZINC000000156186 383836845 /nfs/dbraw/zinc/83/68/45/383836845.db2.gz BEGZWXVLBIZFKQ-AWEZNQCLSA-N 0 0 214.264 2.777 50 0 BFAARN CC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000000167152 383838772 /nfs/dbraw/zinc/83/87/72/383838772.db2.gz MOEXTBIPPMLEFX-UHFFFAOYSA-N 0 0 204.147 2.788 50 0 BFAARN CC[C@@H](C)c1cc(N)nc2nc3ccccc3n21 ZINC000000173702 383838964 /nfs/dbraw/zinc/83/89/64/383838964.db2.gz OAQPUIQJTUOCCM-SECBINFHSA-N 0 0 240.310 2.978 50 0 BFAARN CC(=O)c1ccc(OC(=O)c2ccco2)cc1 ZINC000000190068 383842253 /nfs/dbraw/zinc/84/22/53/383842253.db2.gz XUUVIPGJOLCNLY-UHFFFAOYSA-N 0 0 230.219 2.701 50 0 BFAARN COc1c2occc2cnc1Br ZINC000066054294 383844907 /nfs/dbraw/zinc/84/49/07/383844907.db2.gz HPTHINRGEKOOFF-UHFFFAOYSA-N 0 0 228.045 2.599 50 0 BFAARN COC(=O)c1ccc(NC(=O)CC2CCC2)cc1 ZINC000000226152 383845476 /nfs/dbraw/zinc/84/54/76/383845476.db2.gz ULFRUVZDWINEAZ-UHFFFAOYSA-N 0 0 247.294 2.602 50 0 BFAARN FC(F)(F)c1nnc(-c2ccccc2)o1 ZINC000000247520 383848533 /nfs/dbraw/zinc/84/85/33/383848533.db2.gz GDIDXWYDIVXVOA-UHFFFAOYSA-N 0 0 214.146 2.755 50 0 BFAARN CCc1cccc(OCCn2ccnc2)c1 ZINC000000311499 383853806 /nfs/dbraw/zinc/85/38/06/383853806.db2.gz NKDNGXGTUVKPLR-UHFFFAOYSA-N 0 0 216.284 2.525 50 0 BFAARN Nc1cnc2ccccc2c1Br ZINC000000331157 383853847 /nfs/dbraw/zinc/85/38/47/383853847.db2.gz GZIQGMJOGFFTOO-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Cc1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000000323452 383854488 /nfs/dbraw/zinc/85/44/88/383854488.db2.gz OACMLSIEHCHYCQ-UHFFFAOYSA-N 0 0 247.338 2.823 50 0 BFAARN Cc1nc(-c2ccc(Br)cc2)no1 ZINC000000341621 383856360 /nfs/dbraw/zinc/85/63/60/383856360.db2.gz YWBIOYGLRGIJRT-UHFFFAOYSA-N 0 0 239.072 2.808 50 0 BFAARN CC(=O)c1cccc(NC(=O)c2ccncc2)c1 ZINC000000377350 383858832 /nfs/dbraw/zinc/85/88/32/383858832.db2.gz KRJADIRBSSTLHL-UHFFFAOYSA-N 0 0 240.262 2.537 50 0 BFAARN Cc1ccc(C(=O)Nc2ccc(C)cn2)cc1 ZINC000000361714 383859663 /nfs/dbraw/zinc/85/96/63/383859663.db2.gz NBFFPKCKCRTTRE-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 in-vitro BFAARN Cc1cccc(C(=O)Nc2ccccc2O)c1 ZINC000000362902 383859725 /nfs/dbraw/zinc/85/97/25/383859725.db2.gz OTUMFOHWIGPQKD-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN CCOC(=O)c1csc(-c2ccccc2N)n1 ZINC000066354468 383861230 /nfs/dbraw/zinc/86/12/30/383861230.db2.gz LQGLQWIYLAHVRF-UHFFFAOYSA-N 0 0 248.307 2.569 50 0 BFAARN COC(=O)c1ccc2ccccc2c1OC ZINC000000401237 383863618 /nfs/dbraw/zinc/86/36/18/383863618.db2.gz IKYRLYKWULPUNA-UHFFFAOYSA-N 0 0 216.236 2.635 50 0 BFAARN COc1ccccc1NC(=O)Oc1ccccn1 ZINC000000395159 383864421 /nfs/dbraw/zinc/86/44/21/383864421.db2.gz KFSAPSYDZSWRIR-UHFFFAOYSA-N 0 0 244.250 2.701 50 0 BFAARN Cc1ccc(SCC(=O)N2CCCC2)cc1 ZINC000000444277 383868186 /nfs/dbraw/zinc/86/81/86/383868186.db2.gz KWHVJEUEUMPYAY-UHFFFAOYSA-N 0 0 235.352 2.710 50 0 BFAARN CC(C)(C)Oc1ccnc(OC(C)(C)C)n1 ZINC000000481020 383870939 /nfs/dbraw/zinc/87/09/39/383870939.db2.gz HNFSYCIQTIXGSU-UHFFFAOYSA-N 0 0 224.304 2.831 50 0 BFAARN Cc1cc(C)cc(C(=O)Nc2ccncc2)c1 ZINC000000496675 383871846 /nfs/dbraw/zinc/87/18/46/383871846.db2.gz CCNFPVJFSPDTGE-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1ccc(C(=O)NCc2ccccn2)c(C)c1 ZINC000000514575 383872084 /nfs/dbraw/zinc/87/20/84/383872084.db2.gz CKUFKEYZLYCCCZ-UHFFFAOYSA-N 0 0 240.306 2.628 50 0 BFAARN c1ccc2[nH]c(NC3CCCC3)nc2c1 ZINC000000513099 383872390 /nfs/dbraw/zinc/87/23/90/383872390.db2.gz NCEQHHBCDDBPRF-UHFFFAOYSA-N 0 0 201.273 2.917 50 0 BFAARN COc1ccc(CNC(=O)c2ccc(C)o2)cc1 ZINC000000484184 383872466 /nfs/dbraw/zinc/87/24/66/383872466.db2.gz PQBWZRYWPBCCNI-UHFFFAOYSA-N 0 0 245.278 2.527 50 0 BFAARN CCOCCOc1ccc(Br)cc1 ZINC000035085889 383829027 /nfs/dbraw/zinc/82/90/27/383829027.db2.gz QACZJJNHOATNHA-UHFFFAOYSA-N 0 0 245.116 2.864 50 0 BFAARN COc1cccc(NC(=O)C(C)(C)C)c1 ZINC000000133108 383830964 /nfs/dbraw/zinc/83/09/64/383830964.db2.gz DAFHCFQPQMYDFI-UHFFFAOYSA-N 0 0 207.273 2.680 50 0 BFAARN CCOc1ccccc1-c1csc(N)n1 ZINC000000150885 383834155 /nfs/dbraw/zinc/83/41/55/383834155.db2.gz OVOLGSRVNCMOCY-UHFFFAOYSA-N 0 0 220.297 2.791 50 0 BFAARN COc1ccc(C(=O)N(C(C)C)C(C)C)cc1 ZINC000001596283 383908669 /nfs/dbraw/zinc/90/86/69/383908669.db2.gz IZNMHGFRJFLYSK-UHFFFAOYSA-N 0 0 235.327 2.954 50 0 BFAARN CC(=O)CCc1cccc(Br)c1 ZINC000001592630 383909212 /nfs/dbraw/zinc/90/92/12/383909212.db2.gz GMAFLRMHQUMGIG-UHFFFAOYSA-N 0 0 227.101 2.971 50 0 BFAARN CCCCNC(=O)Nc1ccc(OC)cc1 ZINC000001640194 383915385 /nfs/dbraw/zinc/91/53/85/383915385.db2.gz NHZDUGJWEDTOPV-UHFFFAOYSA-N 0 0 222.288 2.617 50 0 BFAARN O=C([O-])CC[NH2+]Cc1cccc(Cl)c1Cl ZINC000036891910 383916651 /nfs/dbraw/zinc/91/66/51/383916651.db2.gz PZNGWKAPHJHJEA-UHFFFAOYSA-N 0 0 248.109 2.558 50 0 BFAARN O=C1Nc2ccc(F)cc2/C1=C/c1ccco1 ZINC000000213400 383916732 /nfs/dbraw/zinc/91/67/32/383916732.db2.gz ZSXYSOUKWHJWHV-XFFZJAGNSA-N 0 0 229.210 2.911 50 0 BFAARN CCOC(=O)/C=C/c1ccc(OCC)cc1 ZINC000001695489 383925374 /nfs/dbraw/zinc/92/53/74/383925374.db2.gz XFRWZVXVZIQXFI-JXMROGBWSA-N 0 0 220.268 2.662 50 0 BFAARN Cc1cc(C)c(O)c(Br)c1 ZINC000001702333 383926428 /nfs/dbraw/zinc/92/64/28/383926428.db2.gz CZZYAIIAXDTWEE-UHFFFAOYSA-N 0 0 201.063 2.772 50 0 BFAARN CC(C)c1ccc(-c2ccc(C(N)=O)cn2)cc1 ZINC000067605388 383929642 /nfs/dbraw/zinc/92/96/42/383929642.db2.gz PLGPONHGJQVWSB-UHFFFAOYSA-N 0 0 240.306 2.971 50 0 BFAARN CN(C)c1ccc(Nc2cc(Cl)ncn2)cc1 ZINC000000966626 383885984 /nfs/dbraw/zinc/88/59/84/383885984.db2.gz OHEQIHGFHCGZKW-UHFFFAOYSA-N 0 0 248.717 2.940 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCO2)c(C)c1 ZINC000001002256 383886097 /nfs/dbraw/zinc/88/60/97/383886097.db2.gz SYHZQNBMJCXCSO-JSGCOSHPSA-N 0 0 247.338 2.660 50 0 BFAARN COC(=O)c1sc(Br)cc1C ZINC000088190263 383886789 /nfs/dbraw/zinc/88/67/89/383886789.db2.gz SHCAFAUPTCPXRD-UHFFFAOYSA-N 0 0 235.102 2.606 50 0 BFAARN O=C(CC(F)(F)F)Nc1ccsc1 ZINC000135370919 383888259 /nfs/dbraw/zinc/88/82/59/383888259.db2.gz VAISGRZKVXWNFX-UHFFFAOYSA-N 0 0 209.192 2.639 50 0 BFAARN C[C@H](NC(=O)c1cccs1)C(C)(C)C ZINC000001055228 383888412 /nfs/dbraw/zinc/88/84/12/383888412.db2.gz SBSVVFJNWGTYIP-QMMMGPOBSA-N 0 0 211.330 2.913 50 0 BFAARN Nc1nnc(SCc2cccc(F)c2)s1 ZINC000001393597 383896531 /nfs/dbraw/zinc/89/65/31/383896531.db2.gz ITAOMCKIZYUGMA-UHFFFAOYSA-N 0 0 241.316 2.552 50 0 BFAARN CNc1c(Cl)cc(C=O)cc1Cl ZINC000036381083 383901255 /nfs/dbraw/zinc/90/12/55/383901255.db2.gz BLPKMVVXZZBBAP-UHFFFAOYSA-N 0 0 204.056 2.848 50 0 BFAARN CNc1cc(F)ccc1Br ZINC000036533375 383904777 /nfs/dbraw/zinc/90/47/77/383904777.db2.gz ANLGAUIUSSHNAX-UHFFFAOYSA-N 0 0 204.042 2.630 50 0 BFAARN O=Cc1ccccc1-c1ccccc1C=O ZINC000001570746 383905574 /nfs/dbraw/zinc/90/55/74/383905574.db2.gz HJFGULDHUDIPDA-UHFFFAOYSA-N 0 0 210.232 2.979 50 0 BFAARN CCOC(=O)[C@H]1C[C@@H]1c1ccc(C)cc1 ZINC000002731911 383984121 /nfs/dbraw/zinc/98/41/21/383984121.db2.gz JWOBMCBGTXAJBG-NEPJUHHUSA-N 0 0 204.269 2.662 50 0 BFAARN CCCCOCCCNC(=O)[C@@H](C)CCC ZINC000002735134 383987618 /nfs/dbraw/zinc/98/76/18/383987618.db2.gz BUPQCURNGQQDKC-LBPRGKRZSA-N 0 0 229.364 2.746 50 0 BFAARN c1[nH]nc2ccc(NC[C@@H]3CCC=CO3)cc12 ZINC000050268330 383992773 /nfs/dbraw/zinc/99/27/73/383992773.db2.gz GHGFCMNPYOAAEJ-LBPRGKRZSA-N 0 0 229.283 2.668 50 0 BFAARN Clc1cc2c[nH]nc2cc1Br ZINC000089157365 383938311 /nfs/dbraw/zinc/93/83/11/383938311.db2.gz RFOWTBQSXKQLNW-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN O=Cc1cc(Cc2ccccc2)ccc1O ZINC000003160777 383999978 /nfs/dbraw/zinc/99/99/78/383999978.db2.gz FQNZXGZKHKUKRN-UHFFFAOYSA-N 0 0 212.248 2.796 50 0 BFAARN CC[C@@H](C)c1ccccc1OC(=O)NC ZINC000002038416 383946625 /nfs/dbraw/zinc/94/66/25/383946625.db2.gz DIRFUJHNVNOBMY-SECBINFHSA-N 0 0 207.273 2.918 50 0 in-vitro BFAARN O=Cc1ccc(-c2ccc(C=O)cc2)cc1 ZINC000002041311 383947291 /nfs/dbraw/zinc/94/72/91/383947291.db2.gz FEHLIYXNTWAEBQ-UHFFFAOYSA-N 0 0 210.232 2.979 50 0 BFAARN CCCCNC(=O)c1ccc(Br)o1 ZINC000002083656 383949418 /nfs/dbraw/zinc/94/94/18/383949418.db2.gz WLCPRUVNDNMRCP-UHFFFAOYSA-N 0 0 246.104 2.572 50 0 BFAARN ClC(Cl)(Cl)c1nc(C2CC2)no1 ZINC000068589768 384000522 /nfs/dbraw/zinc/00/05/22/384000522.db2.gz SYAXSFYIZNYGPJ-UHFFFAOYSA-N 0 0 227.478 2.774 50 0 BFAARN CCCCOC(=O)c1ccc(NC(=O)CC)cc1 ZINC000002096110 383952610 /nfs/dbraw/zinc/95/26/10/383952610.db2.gz OOAWDGTYJARUCU-UHFFFAOYSA-N 0 0 249.310 2.992 50 0 BFAARN Fc1ccc(-c2n[nH]cc2-c2ncc[nH]2)cc1 ZINC000067847431 383954351 /nfs/dbraw/zinc/95/43/51/383954351.db2.gz ASPQNFCSTOMKOU-UHFFFAOYSA-N 0 0 228.230 2.606 50 0 BFAARN CCCc1nc(C)cc(-c2ccccc2CO)n1 ZINC000067885138 383955560 /nfs/dbraw/zinc/95/55/60/383955560.db2.gz SEWCWXYVNZAKQM-UHFFFAOYSA-N 0 0 242.322 2.897 50 0 BFAARN Clc1nc2cc3c(cc2s1)OCO3 ZINC000002455725 383964855 /nfs/dbraw/zinc/96/48/55/383964855.db2.gz WZRZVJFFQLMHCP-UHFFFAOYSA-N 0 0 213.645 2.678 50 0 BFAARN CC(C)(C)[C@@H]1CCc2nc(N)sc2C1 ZINC000003228759 384003247 /nfs/dbraw/zinc/00/32/47/384003247.db2.gz QXRJJJPFOHTPIG-SSDOTTSWSA-N 0 0 210.346 2.876 50 0 BFAARN Fc1cc(C(F)(F)F)c(F)c(F)n1 ZINC000002513199 383969518 /nfs/dbraw/zinc/96/95/18/383969518.db2.gz DODFHNWFNCGXOW-UHFFFAOYSA-N 0 0 201.069 2.518 50 0 BFAARN Cc1ccnc(Cl)c1Br ZINC000002526722 383971658 /nfs/dbraw/zinc/97/16/58/383971658.db2.gz QPFHYDFGKXHWIN-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN O=Cc1cnc(-c2ccc(F)cc2)s1 ZINC000002563685 383975269 /nfs/dbraw/zinc/97/52/69/383975269.db2.gz FPMAURQPBMLMSS-UHFFFAOYSA-N 0 0 207.229 2.762 50 0 BFAARN CC(C)c1ccc(N(C)C(=O)[C@H]2CCOC2)cc1 ZINC000089893409 384005212 /nfs/dbraw/zinc/00/52/12/384005212.db2.gz TVUIYPYGVCUIHO-ZDUSSCGKSA-N 0 0 247.338 2.809 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(F)c(F)c2)no1 ZINC000003435445 384011960 /nfs/dbraw/zinc/01/19/60/384011960.db2.gz ZWIGSKNXOWVJMX-UHFFFAOYSA-N 0 0 238.193 2.514 50 0 BFAARN Cc1ccc([C@@H]2SCC(=O)N2C2CC2)cc1 ZINC000004218588 384048132 /nfs/dbraw/zinc/04/81/32/384048132.db2.gz ODMVLVQZMXVTBG-ZDUSSCGKSA-N 0 0 233.336 2.731 50 0 BFAARN O=Cc1ccc(OC(F)F)cc1OC(F)F ZINC000003885110 384031171 /nfs/dbraw/zinc/03/11/71/384031171.db2.gz VACUIYCDKQBXCB-UHFFFAOYSA-N 0 0 238.136 2.702 50 0 BFAARN COC(=O)c1cc2c(cccc2F)s1 ZINC000003883939 384032266 /nfs/dbraw/zinc/03/22/66/384032266.db2.gz SPZLAMSTAIFDBN-UHFFFAOYSA-N 0 0 210.229 2.827 50 0 BFAARN COc1ccc(N)cc1Cc1ccccc1 ZINC000003888967 384033362 /nfs/dbraw/zinc/03/33/62/384033362.db2.gz MKNUDVJPNJUJTI-UHFFFAOYSA-N 0 0 213.280 2.868 50 0 BFAARN C[C@@]1(C(=O)Nc2ccc(Cl)cc2Cl)CO1 ZINC000003913040 384033937 /nfs/dbraw/zinc/03/39/37/384033937.db2.gz KITMQUMEHMRUPB-JTQLQIEISA-N 0 0 246.093 2.721 50 0 BFAARN COC(=O)c1cc2c(s1)CCCCC2 ZINC000004088376 384040130 /nfs/dbraw/zinc/04/01/30/384040130.db2.gz PLQMUBVWWLPTGG-UHFFFAOYSA-N 0 0 210.298 2.804 50 0 BFAARN COC(=O)c1c(C)oc2ccc(OC)cc21 ZINC000000307609 384042333 /nfs/dbraw/zinc/04/23/33/384042333.db2.gz HWAOZFBQSIAOBF-UHFFFAOYSA-N 0 0 220.224 2.536 50 0 biogenic BFAARN Cc1[nH]nc(N)c1-c1ccc(C(F)(F)F)cc1 ZINC000038478134 384083048 /nfs/dbraw/zinc/08/30/48/384083048.db2.gz QSCFARQGPFPLJV-UHFFFAOYSA-N 0 0 241.216 2.986 50 0 BFAARN CC(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000004833937 384084243 /nfs/dbraw/zinc/08/42/43/384084243.db2.gz HXAYZRXULAPTTH-UHFFFAOYSA-N 0 0 221.344 2.729 50 0 BFAARN Nc1cnc(-c2ccc(F)cc2Cl)cn1 ZINC000067846638 384055301 /nfs/dbraw/zinc/05/53/01/384055301.db2.gz VCRQOYYAVFTFLA-UHFFFAOYSA-N 0 0 223.638 2.518 50 0 BFAARN COC(=O)c1ccc(N2CCCC2)c(Cl)c1 ZINC000090513328 384058312 /nfs/dbraw/zinc/05/83/12/384058312.db2.gz UZQJIFFWGPGZNG-UHFFFAOYSA-N 0 0 239.702 2.727 50 0 BFAARN O=C1c2ccccc2C(=O)N1c1ccccc1F ZINC000004426525 384060803 /nfs/dbraw/zinc/06/08/03/384060803.db2.gz HCQFOSQIIFTMGC-UHFFFAOYSA-N 0 0 241.221 2.626 50 0 BFAARN Cc1ccn(-c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000004512178 384063877 /nfs/dbraw/zinc/06/38/77/384063877.db2.gz IYIHXSJLXGXNIH-UHFFFAOYSA-N 0 0 241.294 2.529 50 0 BFAARN CCC[C@@H]1C[C@@H](c2csc(N)n2)CCO1 ZINC000000330302 384066877 /nfs/dbraw/zinc/06/68/77/384066877.db2.gz SIINGJBLYGBGDL-DTWKUNHWSA-N 0 0 226.345 2.788 50 0 BFAARN O=C(CC12CC3CC(CC(C3)C1)C2)NC1CC1 ZINC000004651049 384072167 /nfs/dbraw/zinc/07/21/67/384072167.db2.gz GOVGTFYCTNYIGB-UHFFFAOYSA-N 0 0 233.355 2.872 50 0 BFAARN Cc1ccc(COC(=O)c2ccco2)cc1 ZINC000004649427 384072181 /nfs/dbraw/zinc/07/21/81/384072181.db2.gz AOTGZSPASOJGMH-UHFFFAOYSA-N 0 0 216.236 2.945 50 0 BFAARN C/C(=C\c1ccccc1)C(=O)Nc1nncs1 ZINC000004725015 384077385 /nfs/dbraw/zinc/07/73/85/384077385.db2.gz KFILQVGYIBMYBX-VQHVLOKHSA-N 0 0 245.307 2.580 50 0 BFAARN CC1(C(=O)N2CCCC(C)(C)C2)CCC1 ZINC000336536420 384091560 /nfs/dbraw/zinc/09/15/60/384091560.db2.gz WOZIYVCELFOPHO-UHFFFAOYSA-N 0 0 209.333 2.825 50 0 BFAARN O=C1OC(c2ccccc2)=NC1=C(Cl)Cl ZINC000000349148 384099427 /nfs/dbraw/zinc/09/94/27/384099427.db2.gz YFQCWRFRSGFFTC-UHFFFAOYSA-N 0 0 242.061 2.637 50 0 BFAARN O=C1N[C@@H](c2ccc(F)cc2)Nc2ccccc21 ZINC000005338549 384112163 /nfs/dbraw/zinc/11/21/63/384112163.db2.gz TVPPBWCYGUMJAW-ZDUSSCGKSA-N 0 0 242.253 2.680 50 0 BFAARN CCc1ccccc1NC(=O)c1cc(C)no1 ZINC000005405390 384114771 /nfs/dbraw/zinc/11/47/71/384114771.db2.gz HYXUINOPKKGMQY-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN COc1cc(Br)cc(Cl)n1 ZINC000091301682 384115386 /nfs/dbraw/zinc/11/53/86/384115386.db2.gz YLNPSMOZSNHBDO-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN Cc1cc(O)ccc1NC(=O)CC(C)C ZINC000000359582 384116989 /nfs/dbraw/zinc/11/69/89/384116989.db2.gz SNFYCZXZXNNKKW-UHFFFAOYSA-N 0 0 207.273 2.685 50 0 BFAARN CC(C)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000038716892 384094991 /nfs/dbraw/zinc/09/49/91/384094991.db2.gz UYZUORAWLLFPET-UHFFFAOYSA-N 0 0 229.283 2.671 50 0 BFAARN O=c1cc(CCCCOc2ccccc2)cc[nH]1 ZINC000091552026 384133432 /nfs/dbraw/zinc/13/34/32/384133432.db2.gz JQHMSGSKEMVJBI-UHFFFAOYSA-N 0 0 243.306 2.777 50 0 BFAARN Clc1ccc(Cl)c(Cn2ccnn2)c1 ZINC000128057423 384122869 /nfs/dbraw/zinc/12/28/69/384122869.db2.gz YZVHICMVSRIZHG-UHFFFAOYSA-N 0 0 228.082 2.633 50 0 BFAARN Cc1cc(C)c(NC(=O)c2cnn(C)c2)c(C)c1 ZINC000000371785 384147600 /nfs/dbraw/zinc/14/76/00/384147600.db2.gz ABXMCKMEGPJYSS-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN CC[C@H](Nc1ccncn1)c1ncccc1C ZINC000091849169 384150397 /nfs/dbraw/zinc/15/03/97/384150397.db2.gz CBUPJKGKKFVSHO-NSHDSACASA-N 0 0 228.299 2.743 50 0 BFAARN CN(Cc1cccs1)C(=O)C1CCCC1 ZINC000040458932 384153337 /nfs/dbraw/zinc/15/33/37/384153337.db2.gz UYONKQLIMIVDIO-UHFFFAOYSA-N 0 0 223.341 2.897 50 0 BFAARN Cc1cc(Br)cc(Cl)n1 ZINC000071250732 384154833 /nfs/dbraw/zinc/15/48/33/384154833.db2.gz VZKVJDPXLSTENW-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN COc1c(Br)cccc1[C@H](C)O ZINC000116841422 384155187 /nfs/dbraw/zinc/15/51/87/384155187.db2.gz VCOGPOSOMAJBNU-LURJTMIESA-N 0 0 231.089 2.511 50 0 BFAARN CC(C)(C)OC(=O)N1CCC[C@@H](CF)C1 ZINC000071257517 384156404 /nfs/dbraw/zinc/15/64/04/384156404.db2.gz WVPOYHXYOTZWPR-VIFPVBQESA-N 0 0 217.284 2.603 50 0 BFAARN Nc1cc2cccc(C(F)(F)F)c2cn1 ZINC000091692353 384138499 /nfs/dbraw/zinc/13/84/99/384138499.db2.gz CYOPFIOCKFMNHI-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN COC(=O)c1ccc(C(F)(F)F)c2[nH]ccc21 ZINC000091692860 384138986 /nfs/dbraw/zinc/13/89/86/384138986.db2.gz SBPMXPHJBULNNS-UHFFFAOYSA-N 0 0 243.184 2.973 50 0 BFAARN Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC000006643318 384160027 /nfs/dbraw/zinc/16/00/27/384160027.db2.gz SABMAMDNSRZJBK-UHFFFAOYSA-N 0 0 208.261 2.737 50 0 BFAARN O=c1[nH]ccc2cc(C3CC3)cc(F)c21 ZINC000116943471 384160617 /nfs/dbraw/zinc/16/06/17/384160617.db2.gz LDOIRSRUYDIUTP-UHFFFAOYSA-N 0 0 203.216 2.545 50 0 BFAARN CC(=O)c1c(=O)cc(C)oc1NC1CCCCC1 ZINC000000033662 384162027 /nfs/dbraw/zinc/16/20/27/384162027.db2.gz IIGCOZDHFIABJW-UHFFFAOYSA-N 0 0 249.310 2.895 50 0 BFAARN CCc1ccc(NC(=O)c2cnoc2C)cc1 ZINC000000385566 384162999 /nfs/dbraw/zinc/16/29/99/384162999.db2.gz XOIIDOWXOUUETO-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN COC(=O)c1ccc(-c2ccccc2O)cc1 ZINC000006735137 384165661 /nfs/dbraw/zinc/16/56/61/384165661.db2.gz LFCLBBQKXWPXCX-UHFFFAOYSA-N 0 0 228.247 2.846 50 0 BFAARN CCCCNC(=O)Nc1ccc(F)c(F)c1 ZINC000002760155 384184706 /nfs/dbraw/zinc/18/47/06/384184706.db2.gz HVTFGHQPKTWJAA-UHFFFAOYSA-N 0 0 228.242 2.886 50 0 BFAARN Cc1cc(C)n(-c2ccc(Cl)nc2)n1 ZINC000071790448 384179563 /nfs/dbraw/zinc/17/95/63/384179563.db2.gz PPJSYJLCCJUUOH-UHFFFAOYSA-N 0 0 207.664 2.538 50 0 BFAARN CSc1nc2ccc(C=O)cc2s1 ZINC000072233332 384202458 /nfs/dbraw/zinc/20/24/58/384202458.db2.gz GWNYNEAMWXQJBE-UHFFFAOYSA-N 0 0 209.295 2.831 50 0 BFAARN Clc1ncn(CCCc2ccccc2)n1 ZINC000072323995 384208280 /nfs/dbraw/zinc/20/82/80/384208280.db2.gz MBKDVFLJAJNXST-UHFFFAOYSA-N 0 0 221.691 2.564 50 0 BFAARN c1nc2ncccc2n1C1CCCCC1 ZINC000072319826 384205541 /nfs/dbraw/zinc/20/55/41/384205541.db2.gz VYYBQUGTAYYVJY-UHFFFAOYSA-N 0 0 201.273 2.937 50 0 BFAARN Cc1ccnc(CNc2cccc(F)c2)n1 ZINC000309705325 384186766 /nfs/dbraw/zinc/18/67/66/384186766.db2.gz OGWDESXCFOZZMB-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN Cc1nsc(N2CC[C@@H]3CCCC[C@H]32)n1 ZINC000248012894 384233995 /nfs/dbraw/zinc/23/39/95/384233995.db2.gz GTEJYDFRXBXOBZ-VHSXEESVSA-N 0 0 223.345 2.615 50 0 BFAARN C[C@@H](C1CC1)N(C)C(=O)c1cccs1 ZINC000040490143 384241291 /nfs/dbraw/zinc/24/12/91/384241291.db2.gz TYEGCYBQPUDAEE-QMMMGPOBSA-N 0 0 209.314 2.619 50 0 BFAARN CCCCNC(=O)c1ccc(OC)c(Cl)c1 ZINC000072437107 384223019 /nfs/dbraw/zinc/22/30/19/384223019.db2.gz YKRJHCQVBBSTJV-UHFFFAOYSA-N 0 0 241.718 2.879 50 0 BFAARN CC(C(=O)N[C@@H]1CCOC(C)(C)C1)=C1CCC1 ZINC000408519513 384277488 /nfs/dbraw/zinc/27/74/88/384277488.db2.gz MNQZFVFACNBNTE-GFCCVEGCSA-N 0 0 237.343 2.561 50 0 BFAARN COc1cc(C)c(C)c2c1CCCC2=O ZINC000096332038 384260845 /nfs/dbraw/zinc/26/08/45/384260845.db2.gz FLRSCMNVXRWMJM-UHFFFAOYSA-N 0 0 204.269 2.831 50 0 BFAARN FC(F)(F)c1nnc(Nc2cccnc2)s1 ZINC000000074321 384272655 /nfs/dbraw/zinc/27/26/55/384272655.db2.gz WAGZQPCHYZFSMP-UHFFFAOYSA-N 0 0 246.217 2.696 50 0 BFAARN c1noc2c1cccc2OCC[C@H]1CCCO1 ZINC000408518380 384274401 /nfs/dbraw/zinc/27/44/01/384274401.db2.gz DZWYUWAJFVEVFV-LLVKDONJSA-N 0 0 233.267 2.776 50 0 BFAARN CCc1ccc(O)c(Br)c1 ZINC000011949622 384305486 /nfs/dbraw/zinc/30/54/86/384305486.db2.gz XAVFMOSJCDSLCQ-UHFFFAOYSA-N 0 0 201.063 2.717 50 0 BFAARN Cc1nc(-c2nc(-c3ccncc3)cs2)c[nH]1 ZINC000074942559 384314266 /nfs/dbraw/zinc/31/42/66/384314266.db2.gz ZWHIXHLAYCBALX-UHFFFAOYSA-N 0 0 242.307 2.904 50 0 BFAARN Cc1cc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)no1 ZINC000133890624 384317898 /nfs/dbraw/zinc/31/78/98/384317898.db2.gz YUDWABOTLWPLJX-UWVGGRQHSA-N 0 0 236.315 2.634 50 0 BFAARN CC1(C)CC(=O)c2ccc(Cl)nc2C1 ZINC000043829973 384303473 /nfs/dbraw/zinc/30/34/73/384303473.db2.gz SROAFDPESDGHPQ-UHFFFAOYSA-N 0 0 209.676 2.890 50 0 BFAARN Nc1noc(-c2cc(Cl)ccc2Cl)n1 ZINC000075771989 384335331 /nfs/dbraw/zinc/33/53/31/384335331.db2.gz MNVBPIANEWLKMQ-UHFFFAOYSA-N 0 0 230.054 2.626 50 0 BFAARN CCONC(=O)c1cc(Cl)ccc1Cl ZINC000012792979 384337440 /nfs/dbraw/zinc/33/74/40/384337440.db2.gz KGSVOOYCFFLTCB-UHFFFAOYSA-N 0 0 234.082 2.675 50 0 BFAARN Cc1ccc(/C=C/C(=O)NCCc2ccco2)o1 ZINC000012801965 384337959 /nfs/dbraw/zinc/33/79/59/384337959.db2.gz FYQPDNKRAMVLMS-VOTSOKGWSA-N 0 0 245.278 2.553 50 0 BFAARN CC(=O)c1cc2c(C)c(C)c(=O)oc2c(C)c1O ZINC000012902149 384341507 /nfs/dbraw/zinc/34/15/07/384341507.db2.gz HEHXCMGRMMXWKZ-UHFFFAOYSA-N 0 0 246.262 2.626 50 0 biogenic BFAARN CC(C)(O)c1cc(Br)ccc1F ZINC000075845869 384341678 /nfs/dbraw/zinc/34/16/78/384341678.db2.gz RUKMQKCIOJEAKN-UHFFFAOYSA-N 0 0 233.080 2.816 50 0 BFAARN Nc1cc(Br)cc(Cl)c1F ZINC000075843651 384343003 /nfs/dbraw/zinc/34/30/03/384343003.db2.gz PFYMUCZWLUYFDV-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN COc1c(F)ccc(Br)c1F ZINC000075915369 384346953 /nfs/dbraw/zinc/34/69/53/384346953.db2.gz RXNZFRZJZNMBBJ-UHFFFAOYSA-N 0 0 223.016 2.736 50 0 BFAARN COC(=O)c1ccc2c(c1)nc(C)n2C(C)(C)C ZINC000075972743 384349865 /nfs/dbraw/zinc/34/98/65/384349865.db2.gz RGHLNYMCIDPRRB-UHFFFAOYSA-N 0 0 246.310 2.886 50 0 BFAARN CS[C@@H]1CCN(C(=O)/C=C/c2ccccc2)C1 ZINC000096119997 384355986 /nfs/dbraw/zinc/35/59/86/384355986.db2.gz RKQXRSUTVQLTHW-SBDDDAINSA-N 0 0 247.363 2.664 50 0 BFAARN Cc1cc(C(=O)N[C@@H](C)c2ccc(C)cc2)no1 ZINC000013327672 384356016 /nfs/dbraw/zinc/35/60/16/384356016.db2.gz XKCUKTHUIMQRDV-NSHDSACASA-N 0 0 244.294 2.782 50 0 BFAARN O=Cc1cccc(F)c1N1CCCC(F)(F)C1 ZINC000095081222 384358354 /nfs/dbraw/zinc/35/83/54/384358354.db2.gz OIYRRTXAGSYRSX-UHFFFAOYSA-N 0 0 243.228 2.874 50 0 BFAARN FC(F)(F)c1ncccc1N1CCCC1 ZINC000095081171 384358640 /nfs/dbraw/zinc/35/86/40/384358640.db2.gz ZZRASTWKDWYXAG-UHFFFAOYSA-N 0 0 216.206 2.701 50 0 BFAARN Cc1ccc([C@H]2Cc3oncc3C(=O)C2)s1 ZINC000095117803 384366115 /nfs/dbraw/zinc/36/61/15/384366115.db2.gz UHRQLWAGKOUROW-MRVPVSSYSA-N 0 0 233.292 2.957 50 0 BFAARN Cc1c2nc(Cl)[nH]c2ncc1Br ZINC000095215346 384366204 /nfs/dbraw/zinc/36/62/04/384366204.db2.gz TVQDWGLRUKHYQX-UHFFFAOYSA-N 0 0 246.495 2.682 50 0 BFAARN Cc1cc(CN(C)Cc2cccnc2)c(C)o1 ZINC000097113588 384369650 /nfs/dbraw/zinc/36/96/50/384369650.db2.gz ZUAXQRVHGITWOZ-UHFFFAOYSA-N 0 0 230.311 2.923 50 0 BFAARN C[C@@]1(O)c2ccccc2-c2ccccc2[C@]1(C)O ZINC000013658815 384369811 /nfs/dbraw/zinc/36/98/11/384369811.db2.gz PVSIBGSXKKPZNX-IYBDPMFKSA-N 0 0 240.302 2.782 50 0 BFAARN Cc1ccc(C(=O)c2cnccc2C)cc1 ZINC000045028989 384370008 /nfs/dbraw/zinc/37/00/08/384370008.db2.gz UUVOXOFZNXXEHX-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN CCc1cc(NCCCOC2CCCC2)ncn1 ZINC000095392817 384371384 /nfs/dbraw/zinc/37/13/84/384371384.db2.gz DZPJFUCIBHZRJP-UHFFFAOYSA-N 0 0 249.358 2.800 50 0 BFAARN Cc1cc(C(=O)c2cccc(F)c2F)ccn1 ZINC000045038574 384372153 /nfs/dbraw/zinc/37/21/53/384372153.db2.gz MVFZJKPEDFPQOD-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CNc1ncnc2sc3c(c21)CCCC3 ZINC000000040425 384395496 /nfs/dbraw/zinc/39/54/96/384395496.db2.gz YKMNGLGIQNNJHU-UHFFFAOYSA-N 0 0 219.313 2.612 50 0 BFAARN Cc1ccc(OC[C@H]2CCCCO2)c(N)c1 ZINC000014629579 384397414 /nfs/dbraw/zinc/39/74/14/384397414.db2.gz FETKKQIWHQYOCB-LLVKDONJSA-N 0 0 221.300 2.525 50 0 BFAARN COCc1nc2cc(C[C@@H]3CCCO3)ccc2o1 ZINC000077436830 384408087 /nfs/dbraw/zinc/40/80/87/384408087.db2.gz VFSCGMWRBKNSQZ-NSHDSACASA-N 0 0 247.294 2.696 50 0 BFAARN COC(=O)c1cc(Cl)nc2ccc(F)cc21 ZINC000045796209 384408768 /nfs/dbraw/zinc/40/87/68/384408768.db2.gz NVTKBFWNCSYDPE-UHFFFAOYSA-N 0 0 239.633 2.814 50 0 BFAARN CC1(C)COC2(C[C@@H]3C=CC[C@H]3C2)OC1 ZINC000095929136 384411104 /nfs/dbraw/zinc/41/11/04/384411104.db2.gz MFPZHVAUQQEPCD-QWRGUYRKSA-N 0 0 208.301 2.742 50 0 BFAARN Nc1cc2ccccc2nc1C(F)(F)F ZINC000077868058 384418799 /nfs/dbraw/zinc/41/87/99/384418799.db2.gz OGKZZXVXLZCMQW-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN Cn1c2ccccc2c2cc(C(N)=S)ccc21 ZINC000096026283 384421446 /nfs/dbraw/zinc/42/14/46/384421446.db2.gz KEJKCPOQGGTRDD-UHFFFAOYSA-N 0 0 240.331 2.966 50 0 BFAARN CCONC(=O)c1ccc2ccccc2c1 ZINC000017821388 384421671 /nfs/dbraw/zinc/42/16/71/384421671.db2.gz NOMDVWPIFNWPCV-UHFFFAOYSA-N 0 0 215.252 2.521 50 0 BFAARN CC1(C)C[C@H](O)[C@@]23CC[C@H](O)[C@@](C)(CC[C@@H]12)C3 ZINC000229762547 384425152 /nfs/dbraw/zinc/42/51/52/384425152.db2.gz BWXJQHJHGMZLBT-ZCRGAIPPSA-N 0 0 238.371 2.725 50 0 BFAARN Nn1cc(-c2ccccc2)nc1SC(F)F ZINC000011535766 384378022 /nfs/dbraw/zinc/37/80/22/384378022.db2.gz OHSHCFGEOXEVAJ-UHFFFAOYSA-N 0 0 241.266 2.579 50 0 BFAARN O=C1CCc2ccccc2N1C[C@@H]1CCCCO1 ZINC000095508663 384380200 /nfs/dbraw/zinc/38/02/00/384380200.db2.gz MANPTXJQICJWEI-ZDUSSCGKSA-N 0 0 245.322 2.535 50 0 BFAARN C[S@@](=O)c1ccccc1-c1ccc(C=O)cc1 ZINC000014007628 384380924 /nfs/dbraw/zinc/38/09/24/384380924.db2.gz SCIJKDIZGGPJFV-KRWDZBQOSA-N 0 0 244.315 2.904 50 0 BFAARN CC(=O)c1c(C)cccc1NC(=O)CC1CC1 ZINC000097166071 384388887 /nfs/dbraw/zinc/38/88/87/384388887.db2.gz FCTSTMDZWKOSOS-UHFFFAOYSA-N 0 0 231.295 2.936 50 0 BFAARN Cc1ccn2c(c1)nnc2NCc1ccsc1 ZINC000097164162 384389690 /nfs/dbraw/zinc/38/96/90/384389690.db2.gz BCELXZOTHGAVRM-UHFFFAOYSA-N 0 0 244.323 2.711 50 0 BFAARN Cc1cc(O)ccc1NC(=O)Nc1ccccn1 ZINC000097166244 384389741 /nfs/dbraw/zinc/38/97/41/384389741.db2.gz UPBLNVOPTJLHMF-UHFFFAOYSA-N 0 0 243.266 2.740 50 0 BFAARN O=c1oc2ccccc2n1Cc1ccc(F)cc1 ZINC000014376086 384390953 /nfs/dbraw/zinc/39/09/53/384390953.db2.gz QOLQGBVBGJVMLF-UHFFFAOYSA-N 0 0 243.237 2.782 50 0 BFAARN Cc1ccc(C(=O)Nc2ncccc2C)cc1 ZINC000011535898 384391282 /nfs/dbraw/zinc/39/12/82/384391282.db2.gz XKCKSAJWVZAVIO-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN CCOP(=O)(NC(C)(C)C)OCC ZINC000001662383 384432216 /nfs/dbraw/zinc/43/22/16/384432216.db2.gz SYJKDPHZCNVQRY-UHFFFAOYSA-N 0 0 209.226 2.556 50 0 BFAARN COc1cc(/C=C/[N+](=O)[O-])c(OC)cc1Cl ZINC000096191835 384443787 /nfs/dbraw/zinc/44/37/87/384443787.db2.gz CLAKVUUWDLHEJP-ONEGZZNKSA-N 0 0 243.646 2.605 50 0 BFAARN Cc1cc(C)cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000016604689 384461061 /nfs/dbraw/zinc/46/10/61/384461061.db2.gz MFDLETVRXNHKDX-JSGCOSHPSA-N 0 0 247.338 2.601 50 0 BFAARN O=C1Nc2ccccc2/C1=C/NC1CCCC1 ZINC000016675887 384464823 /nfs/dbraw/zinc/46/48/23/384464823.db2.gz SFAQZMKBBYUSJW-XFXZXTDPSA-N 0 0 228.295 2.512 50 0 BFAARN COC(=O)c1cccc(-c2cccc(C=O)c2)c1 ZINC000016945816 384472887 /nfs/dbraw/zinc/47/28/87/384472887.db2.gz CPAIYDIGLIGAEN-UHFFFAOYSA-N 0 0 240.258 2.953 50 0 BFAARN CSc1nnc(C2CC2)n1Cc1ccco1 ZINC000079438081 384496035 /nfs/dbraw/zinc/49/60/35/384496035.db2.gz UMGRDUFQCKNBNV-UHFFFAOYSA-N 0 0 235.312 2.519 50 0 BFAARN Fc1ccc2nccc(Br)c2n1 ZINC000097054404 384492638 /nfs/dbraw/zinc/49/26/38/384492638.db2.gz LYJLCBJPUTZONT-UHFFFAOYSA-N 0 0 227.036 2.531 50 0 BFAARN COC(=O)c1cccc(Cl)c1Br ZINC000097437891 384520889 /nfs/dbraw/zinc/52/08/89/384520889.db2.gz DBKFYOHGPURQCZ-UHFFFAOYSA-N 0 0 249.491 2.889 50 0 BFAARN CC1(C)OC(=O)c2c3ccccc3[nH]c21 ZINC000097463366 384524401 /nfs/dbraw/zinc/52/44/01/384524401.db2.gz IUQMLSKLAUMFEM-UHFFFAOYSA-N 0 0 201.225 2.573 50 0 BFAARN Nc1ccc(SCc2ccccc2)cn1 ZINC000019869339 384544454 /nfs/dbraw/zinc/54/44/54/384544454.db2.gz IYYBMHZDZXPAGP-UHFFFAOYSA-N 0 0 216.309 2.956 50 0 BFAARN COC(=O)c1cccc(OC(F)(F)F)c1F ZINC000097756787 384553447 /nfs/dbraw/zinc/55/34/47/384553447.db2.gz GPHQKOJTGXWLRG-UHFFFAOYSA-N 0 0 238.136 2.511 50 0 BFAARN COC(=O)c1ccccc1-c1cccc(O)c1 ZINC000097757366 384553638 /nfs/dbraw/zinc/55/36/38/384553638.db2.gz ZRAIWPOTPHTNKD-UHFFFAOYSA-N 0 0 228.247 2.846 50 0 BFAARN COC(=O)c1cncc(-c2ccc(C)c(F)c2)c1 ZINC000097757360 384553954 /nfs/dbraw/zinc/55/39/54/384553954.db2.gz QATIBJZNNJLBQH-UHFFFAOYSA-N 0 0 245.253 2.983 50 0 BFAARN COC(=O)C1(c2ccccc2Cl)CCC1 ZINC000097757078 384554999 /nfs/dbraw/zinc/55/49/99/384554999.db2.gz JJZIRDPIWPMYDG-UHFFFAOYSA-N 0 0 224.687 2.935 50 0 BFAARN CCC[C@H](C)NC(=O)COc1ccc(F)cc1 ZINC000019935074 384559194 /nfs/dbraw/zinc/55/91/94/384559194.db2.gz WTDFZQASTLHIEU-JTQLQIEISA-N 0 0 239.290 2.509 50 0 BFAARN Cc1nc(C(F)(F)F)nc(-c2cc[nH]n2)c1C ZINC000019771242 384537343 /nfs/dbraw/zinc/53/73/43/384537343.db2.gz PTVXDBJVLGFXTJ-UHFFFAOYSA-N 0 0 242.204 2.502 50 0 BFAARN CCCC[NH+](CCCC)CCCC(=O)[O-] ZINC000011799246 384588120 /nfs/dbraw/zinc/58/81/20/384588120.db2.gz APLNOXBBAYPPBU-UHFFFAOYSA-N 0 0 215.337 2.753 50 0 BFAARN Cc1cc(C)nc(-c2ccc(F)cc2)n1 ZINC000098210227 384604913 /nfs/dbraw/zinc/60/49/13/384604913.db2.gz KSUHXEKDCOGHLJ-UHFFFAOYSA-N 0 0 202.232 2.900 50 0 BFAARN COC(=O)c1scc(Br)c1C ZINC000098214271 384607299 /nfs/dbraw/zinc/60/72/99/384607299.db2.gz ZTDYZXWQADNRRI-UHFFFAOYSA-N 0 0 235.102 2.606 50 0 BFAARN O=C1CC(=O)CC(c2cccc(Cl)c2)C1 ZINC000100014325 384608286 /nfs/dbraw/zinc/60/82/86/384608286.db2.gz YSNSALYPQQBIDC-UHFFFAOYSA-N 0 0 222.671 2.746 50 0 BFAARN COC(=O)c1cc2ccc(Cl)cc2o1 ZINC000081213617 384609818 /nfs/dbraw/zinc/60/98/18/384609818.db2.gz BBKNMQLOVMQZRO-UHFFFAOYSA-N 0 0 210.616 2.873 50 0 BFAARN CCOc1ccccc1C(=O)N[C@@H](C)C(C)C ZINC000060626545 384619418 /nfs/dbraw/zinc/61/94/18/384619418.db2.gz LMXNKHURGRBNFQ-NSHDSACASA-N 0 0 235.327 2.860 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000124287772 384629306 /nfs/dbraw/zinc/62/93/06/384629306.db2.gz WAHFAXNUZGJZTJ-QQMYWVELSA-N 0 0 247.382 2.926 50 0 BFAARN Cc1csc(CNc2nnc(C(C)C)o2)n1 ZINC000097045371 384593872 /nfs/dbraw/zinc/59/38/72/384593872.db2.gz APZPXPJKILIOJM-UHFFFAOYSA-N 0 0 238.316 2.570 50 0 BFAARN Cc1ccc(C(=O)O[C@H](C)c2ccccn2)o1 ZINC000073531799 384653388 /nfs/dbraw/zinc/65/33/88/384653388.db2.gz ZRKXZNSXVWAMQK-SNVBAGLBSA-N 0 0 231.251 2.901 50 0 BFAARN Cc1cc(=O)n(-c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000100781893 384654562 /nfs/dbraw/zinc/65/45/62/384654562.db2.gz VCVFXBNCQAJJCV-UHFFFAOYSA-N 0 0 243.093 2.781 50 0 BFAARN Cc1ccc(C)c(NC(=S)NC2CC2)c1 ZINC000002776658 384656343 /nfs/dbraw/zinc/65/63/43/384656343.db2.gz QKADPJTZCFCIOA-UHFFFAOYSA-N 0 0 220.341 2.752 50 0 BFAARN CC(=O)c1cc2ncoc2c(Br)c1 ZINC000041568982 384723575 /nfs/dbraw/zinc/72/35/75/384723575.db2.gz MRPQKDWVFSDVPY-UHFFFAOYSA-N 0 0 240.056 2.793 50 0 BFAARN CCc1[nH]c2c(F)cccc2c(=O)c1C ZINC000082449754 384681467 /nfs/dbraw/zinc/68/14/67/384681467.db2.gz KVVNGXCKCYZLJE-UHFFFAOYSA-N 0 0 205.232 2.538 50 0 BFAARN CN(Cc1ccccc1)c1ccnc(Cl)n1 ZINC000051849140 384694931 /nfs/dbraw/zinc/69/49/31/384694931.db2.gz NTDMPTKAKGKWAZ-UHFFFAOYSA-N 0 0 233.702 2.766 50 0 BFAARN CC(=O)c1ccc(F)c(Br)c1F ZINC000051951626 384704946 /nfs/dbraw/zinc/70/49/46/384704946.db2.gz NOQZJPYTXYUMAU-UHFFFAOYSA-N 0 0 235.027 2.930 50 0 BFAARN C[C@H](NC(=O)c1ccncc1)c1cccs1 ZINC000021905693 384705499 /nfs/dbraw/zinc/70/54/99/384705499.db2.gz BNGMQYQKCBFVDX-VIFPVBQESA-N 0 0 232.308 2.634 50 0 BFAARN Cc1cc(C)c(NCc2nccn2C)c(C)c1 ZINC000051923584 384705563 /nfs/dbraw/zinc/70/55/63/384705563.db2.gz MCFNMGFFVGZYMG-UHFFFAOYSA-N 0 0 229.327 2.957 50 0 BFAARN C[C@@H](NC(=O)c1ccncc1)c1cccs1 ZINC000021905690 384707411 /nfs/dbraw/zinc/70/74/11/384707411.db2.gz BNGMQYQKCBFVDX-SECBINFHSA-N 0 0 232.308 2.634 50 0 BFAARN COc1cc(C)cc(Br)c1 ZINC000022053275 384727505 /nfs/dbraw/zinc/72/75/05/384727505.db2.gz AOEVRCZZWJWKPG-UHFFFAOYSA-N 0 0 201.063 2.766 50 0 in-vitro BFAARN CSc1ccc(Br)nc1 ZINC000021953220 384709207 /nfs/dbraw/zinc/70/92/07/384709207.db2.gz IFMCOWPTUPYFCT-UHFFFAOYSA-N 0 0 204.092 2.566 50 0 BFAARN c1c[nH]c(SCCOc2ccccc2)n1 ZINC000078994772 384714524 /nfs/dbraw/zinc/71/45/24/384714524.db2.gz AKGJBUUJDGKQQR-UHFFFAOYSA-N 0 0 220.297 2.581 50 0 BFAARN CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086789846 384775839 /nfs/dbraw/zinc/77/58/39/384775839.db2.gz IABIVNTXVLRPMJ-QWHCGFSZSA-N 0 0 233.311 2.544 50 0 BFAARN CSc1ccc(N2CC[C@@H]3CCCC[C@@H]32)nn1 ZINC000080972975 384733475 /nfs/dbraw/zinc/73/34/75/384733475.db2.gz IJFVEPXYQQMYHC-QWRGUYRKSA-N 0 0 249.383 2.967 50 0 BFAARN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1N ZINC000022217773 384743089 /nfs/dbraw/zinc/74/30/89/384743089.db2.gz VHAPCOSHZCMPRJ-GHMZBOCLSA-N 0 0 246.354 2.695 50 0 BFAARN CCc1ccccc1NC(=O)c1cn(C)nc1C ZINC000012015651 384779568 /nfs/dbraw/zinc/77/95/68/384779568.db2.gz SBTXGNOQZSRNPV-UHFFFAOYSA-N 0 0 243.310 2.543 50 0 BFAARN CC(C)(C)c1ccc2c(c1)C(=O)NCCC2 ZINC000057939402 384748460 /nfs/dbraw/zinc/74/84/60/384748460.db2.gz FTRSFNKWWSZOBE-UHFFFAOYSA-N 0 0 217.312 2.660 50 0 BFAARN Cc1nnc2sc(/C=C/c3cccs3)nn12 ZINC000013735026 384750516 /nfs/dbraw/zinc/75/05/16/384750516.db2.gz CMRYVSXXJPTMGS-SNAWJCMRSA-N 0 0 248.336 2.726 50 0 BFAARN CN(Cc1ccco1)C(=O)C[C@H]1C=CCC1 ZINC000048251567 384751476 /nfs/dbraw/zinc/75/14/76/384751476.db2.gz UCTZHXUDRJNBEZ-NSHDSACASA-N 0 0 219.284 2.594 50 0 BFAARN CC(C)CCNC(=O)C1=Cc2ccccc2OC1 ZINC000018078286 384758515 /nfs/dbraw/zinc/75/85/15/384758515.db2.gz QTOWHCGTIMNLPF-UHFFFAOYSA-N 0 0 245.322 2.625 50 0 BFAARN CC(C)CCCNC(=O)N1CCCSCC1 ZINC000084510342 384759349 /nfs/dbraw/zinc/75/93/49/384759349.db2.gz JJBGUAIHGKIPPL-UHFFFAOYSA-N 0 0 244.404 2.571 50 0 BFAARN Cc1noc(C)c1CC(=O)Nc1ccccc1F ZINC000022392723 384760725 /nfs/dbraw/zinc/76/07/25/384760725.db2.gz BTUFILJDWALCBL-UHFFFAOYSA-N 0 0 248.257 2.612 50 0 BFAARN COC[C@@H](C)Nc1ccccc1Br ZINC000053172253 384767230 /nfs/dbraw/zinc/76/72/30/384767230.db2.gz RESDJCQTDKZPLW-MRVPVSSYSA-N 0 0 244.132 2.896 50 0 BFAARN O=c1cc(-c2ccco2)[nH]c2ccccc12 ZINC000084669367 384825569 /nfs/dbraw/zinc/82/55/69/384825569.db2.gz DRAVSOKTERRVNV-UHFFFAOYSA-N 0 0 211.220 2.788 50 0 BFAARN Cc1nocc1CNCc1ccc(Cl)s1 ZINC000339177705 384831491 /nfs/dbraw/zinc/83/14/91/384831491.db2.gz ARSSSNMFGCKYHE-UHFFFAOYSA-N 0 0 242.731 2.988 50 0 BFAARN COc1cc2nc(C)oc2c(Br)c1 ZINC000022995912 384782884 /nfs/dbraw/zinc/78/28/84/384782884.db2.gz DGVBUFVVDHHJTP-UHFFFAOYSA-N 0 0 242.072 2.907 50 0 BFAARN C[C@H](NC(=O)NC1CC1)c1cccc(Cl)c1 ZINC000026518587 384875351 /nfs/dbraw/zinc/87/53/51/384875351.db2.gz LELKLSHGRGHYHE-QMMMGPOBSA-N 0 0 238.718 2.863 50 0 BFAARN Nc1ncccc1OCC1CCCCC1 ZINC000026513734 384877137 /nfs/dbraw/zinc/87/71/37/384877137.db2.gz GSQLAKVHHSYJHS-UHFFFAOYSA-N 0 0 206.289 2.623 50 0 BFAARN Nc1ccc2c(Br)cccc2n1 ZINC000026474716 384878184 /nfs/dbraw/zinc/87/81/84/384878184.db2.gz KBQIVWNPOZQTTE-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN FC(F)(F)C(F)(F)I ZINC000055345817 384881053 /nfs/dbraw/zinc/88/10/53/384881053.db2.gz UXPOJVLZTPGWFX-UHFFFAOYSA-N 0 0 245.916 2.577 50 0 BFAARN Cc1cc(Br)c(C=O)cc1F ZINC000026893627 384883636 /nfs/dbraw/zinc/88/36/36/384883636.db2.gz RKDXMZSJZPGBRQ-UHFFFAOYSA-N 0 0 217.037 2.709 50 0 BFAARN c1cn(C23CC4CC(CC(C4)C2)C3)cn1 ZINC000003957330 384887072 /nfs/dbraw/zinc/88/70/72/384887072.db2.gz PJWXDQVZZXNUQF-UHFFFAOYSA-N 0 0 202.301 2.808 50 0 BFAARN C[C@@H](NC(=O)c1ccccc1O)c1cccs1 ZINC000025314046 384844341 /nfs/dbraw/zinc/84/43/41/384844341.db2.gz SHOXWVNNNBKLPW-SECBINFHSA-N 0 0 247.319 2.945 50 0 BFAARN O=C(CCc1ccc(F)cc1)NC1CCCC1 ZINC000060878979 384853552 /nfs/dbraw/zinc/85/35/52/384853552.db2.gz JZRXTGUGMHRVPG-UHFFFAOYSA-N 0 0 235.302 2.817 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000025560553 384855102 /nfs/dbraw/zinc/85/51/02/384855102.db2.gz QAFGZNIKOOFRDJ-SVRRBLITSA-N 0 0 222.313 2.615 50 0 BFAARN O=C(N[C@H]1CCCc2ccccc21)OCCF ZINC000583651646 384863354 /nfs/dbraw/zinc/86/33/54/384863354.db2.gz PZQCYUXOENPKOZ-LBPRGKRZSA-N 0 0 237.274 2.760 50 0 BFAARN Fc1ccc([C@H]2CO2)cc1Br ZINC000055027029 384864539 /nfs/dbraw/zinc/86/45/39/384864539.db2.gz KGZGYLSAJXQGND-MRVPVSSYSA-N 0 0 217.037 2.660 50 0 BFAARN C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccncc1 ZINC000027406069 384899323 /nfs/dbraw/zinc/89/93/23/384899323.db2.gz IHNZUSOBQPPTOA-NEPJUHHUSA-N 0 0 230.311 2.615 50 0 BFAARN Cc1coc2ccc(Br)cc2c1=O ZINC000084788588 384899518 /nfs/dbraw/zinc/89/95/18/384899518.db2.gz FAXLCYAKZMOQJR-UHFFFAOYSA-N 0 0 239.068 2.864 50 0 BFAARN Clc1nnc(NCc2ccccc2)s1 ZINC000095464186 384911202 /nfs/dbraw/zinc/91/12/02/384911202.db2.gz UZOSPKDAKAJRQN-UHFFFAOYSA-N 0 0 225.704 2.804 50 0 BFAARN Cc1cc(/C=C/c2ccncn2)cc(C)c1O ZINC000157338821 384912930 /nfs/dbraw/zinc/91/29/30/384912930.db2.gz IBUGYHIDLGNSBR-ONEGZZNKSA-N 0 0 226.279 2.969 50 0 BFAARN Cc1ccnc(N[C@@H]2CCOC3(CCCC3)C2)n1 ZINC000095425685 384932496 /nfs/dbraw/zinc/93/24/96/384932496.db2.gz MNKQYDLEDVDOHG-GFCCVEGCSA-N 0 0 247.342 2.689 50 0 BFAARN COC(=O)c1cc(Cl)cc(Br)c1 ZINC000028278684 384942646 /nfs/dbraw/zinc/94/26/46/384942646.db2.gz GJKMQSHEAYKNEF-UHFFFAOYSA-N 0 0 249.491 2.889 50 0 BFAARN CCSc1nccc(-c2cn(CC)nc2C)n1 ZINC000072334144 384977859 /nfs/dbraw/zinc/97/78/59/384977859.db2.gz LDLHMSJNRBPQEX-UHFFFAOYSA-N 0 0 248.355 2.780 50 0 BFAARN FC(F)(F)Oc1ccc(-c2ncc[nH]2)cc1 ZINC000086033058 384980701 /nfs/dbraw/zinc/98/07/01/384980701.db2.gz CQPVUIDPCVCNCE-UHFFFAOYSA-N 0 0 228.173 2.975 50 0 BFAARN COC(=O)[C@@H](C)SC(=S)c1ccccc1 ZINC000086012998 384981260 /nfs/dbraw/zinc/98/12/60/384981260.db2.gz WPFPXUQEUXJYHU-MRVPVSSYSA-N 0 0 240.349 2.657 50 0 BFAARN FC(F)(F)c1cc(Cl)nnc1Cl ZINC000086012957 384981628 /nfs/dbraw/zinc/98/16/28/384981628.db2.gz FCAYXJJTFRBHIQ-UHFFFAOYSA-N 0 0 216.977 2.802 50 0 BFAARN CC(C)[C@@H](NC(=O)C1CC1)c1ccccc1 ZINC000058230623 384988028 /nfs/dbraw/zinc/98/80/28/384988028.db2.gz NYTNWYFDAHZOON-CYBMUJFWSA-N 0 0 217.312 2.910 50 0 BFAARN O=C(/C=C/c1cccc(F)c1)NCC(F)(F)F ZINC000058191144 384989864 /nfs/dbraw/zinc/98/98/64/384989864.db2.gz PJDGRTPLEUYTNL-SNAWJCMRSA-N 0 0 247.191 2.517 50 0 BFAARN CCc1ccc(C(=O)N2CCOCC2(C)C)cc1 ZINC000058277783 384992813 /nfs/dbraw/zinc/99/28/13/384992813.db2.gz GKSPNOUCAYHTFE-UHFFFAOYSA-N 0 0 247.338 2.500 50 0 BFAARN CO[C@@H](C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000058268323 384993262 /nfs/dbraw/zinc/99/32/62/384993262.db2.gz BTSOEYUCMSYGQL-SWLSCSKDSA-N 0 0 249.354 2.925 50 0 BFAARN C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC=CCC1 ZINC000058313133 384996923 /nfs/dbraw/zinc/99/69/23/384996923.db2.gz HVHNZKUDCBNHIA-JQWIXIFHSA-N 0 0 207.317 2.600 50 0 BFAARN Cc1noc(C)c1NC(=O)Cc1ccccc1F ZINC000058329059 384997069 /nfs/dbraw/zinc/99/70/69/384997069.db2.gz YJUWHEFIUWYAIB-UHFFFAOYSA-N 0 0 248.257 2.612 50 0 BFAARN c1csc(CC[NH2+]Cc2ccoc2)c1 ZINC000062103376 385051559 /nfs/dbraw/zinc/05/15/59/385051559.db2.gz HEWYQHFSVFXBMX-UHFFFAOYSA-N 0 0 207.298 2.673 50 0 BFAARN Cc1noc(C)c1CNC(=O)Nc1ccccc1 ZINC000060063843 385066729 /nfs/dbraw/zinc/06/67/29/385066729.db2.gz CQILNDRPBKRJCU-UHFFFAOYSA-N 0 0 245.282 2.613 50 0 BFAARN O=Cc1cccc(OC(=O)Cc2cccs2)c1 ZINC000031975848 385115641 /nfs/dbraw/zinc/11/56/41/385115641.db2.gz HJOLWPJOWLFOLO-UHFFFAOYSA-N 0 0 246.287 2.709 50 0 BFAARN Cn1nc(-c2ccc(Cl)cc2)[nH]c1=S ZINC000003609862 385131019 /nfs/dbraw/zinc/13/10/19/385131019.db2.gz YQFMFONPHCESTR-UHFFFAOYSA-N 0 0 225.704 2.798 50 0 BFAARN CC(=O)Oc1cccc(C(=O)c2ccccc2)c1 ZINC000032234092 385137160 /nfs/dbraw/zinc/13/71/60/385137160.db2.gz FVSGBGVLSLEIMO-UHFFFAOYSA-N 0 0 240.258 2.843 50 0 BFAARN CCc1ccc(Nc2cc(C)nc(N)n2)cc1 ZINC000060805716 385100084 /nfs/dbraw/zinc/10/00/84/385100084.db2.gz LWHNCKSIILYVLT-UHFFFAOYSA-N 0 0 228.299 2.673 50 0 BFAARN CC(C)(C)NC(=O)CCc1ccc(F)cc1 ZINC000060913429 385102770 /nfs/dbraw/zinc/10/27/70/385102770.db2.gz LUEVQBLCUMEQKS-UHFFFAOYSA-N 0 0 223.291 2.673 50 0 BFAARN C[C@H]1c2ccsc2CCN1C(=O)C1CCC1 ZINC000032781396 385184796 /nfs/dbraw/zinc/18/47/96/385184796.db2.gz PMIDBNBLBJBTGV-VIFPVBQESA-N 0 0 235.352 2.994 50 0 BFAARN CO[C@H](c1ccccc1)P(=O)(OC)OC ZINC000003161495 385184919 /nfs/dbraw/zinc/18/49/19/385184919.db2.gz VCFQVZPOBWHIHB-JTQLQIEISA-N 0 0 230.200 2.818 50 0 BFAARN CCC1(CNC(=O)C[C@H]2CCCO2)CCCC1 ZINC000096473325 385188245 /nfs/dbraw/zinc/18/82/45/385188245.db2.gz FOEDSYBCMXJCIS-GFCCVEGCSA-N 0 0 239.359 2.642 50 0 BFAARN O=C(C1CC1)N1CCC[C@H]1Cc1ccccc1 ZINC000032901490 385190614 /nfs/dbraw/zinc/19/06/14/385190614.db2.gz HMPOKJFXUUEASB-AWEZNQCLSA-N 0 0 229.323 2.630 50 0 BFAARN Cc1nc(S[C@H](C)c2ccccc2)n[nH]1 ZINC000012944796 385151626 /nfs/dbraw/zinc/15/16/26/385151626.db2.gz HOFPCLKZCUQAQM-MRVPVSSYSA-N 0 0 219.313 2.966 50 0 BFAARN Cc1ccc(NC(=O)NC2CCOCC2)c(C)c1 ZINC000062108072 385157883 /nfs/dbraw/zinc/15/78/83/385157883.db2.gz LJONGIHWNYYJRI-UHFFFAOYSA-N 0 0 248.326 2.604 50 0 BFAARN Cc1cc(C)n(C[C@H](C)Nc2cccc(F)n2)n1 ZINC000096429282 385164978 /nfs/dbraw/zinc/16/49/78/385164978.db2.gz ROLNEJZALIOOHI-JTQLQIEISA-N 0 0 248.305 2.535 50 0 BFAARN CCSCC[C@@H](C)NC(=O)C[C@H]1C=CCC1 ZINC000096433054 385167616 /nfs/dbraw/zinc/16/76/16/385167616.db2.gz FLDPAJHHNSCHFE-NEPJUHHUSA-N 0 0 241.400 2.991 50 0 BFAARN C[C@@H]1CNc2cc(Br)ccc2O1 ZINC000062529549 385175356 /nfs/dbraw/zinc/17/53/56/385175356.db2.gz VJWHRBJNHZTLQF-ZCFIWIBFSA-N 0 0 228.089 2.642 50 0 BFAARN Cn1nc(-c2ccccc2)c2cc(CO)sc21 ZINC000063110821 385206674 /nfs/dbraw/zinc/20/66/74/385206674.db2.gz ARPBBSGGQDLQED-UHFFFAOYSA-N 0 0 244.319 2.794 50 0 BFAARN O=C1C2CCN(CC2)[C@@H]1Cc1ccc(Cl)cc1 ZINC000063110722 385208997 /nfs/dbraw/zinc/20/89/97/385208997.db2.gz JFDIFARZZMLJRR-CYBMUJFWSA-N 0 0 249.741 2.546 50 0 BFAARN COC(=O)/C=C\c1ccc(Br)cc1 ZINC000033305574 385222322 /nfs/dbraw/zinc/22/23/22/385222322.db2.gz MFKOGXVHZUSUAF-DAXSKMNVSA-N 0 0 241.084 2.635 50 0 BFAARN Cc1noc([C@H](C)SCc2ccccn2)n1 ZINC000096494684 385235267 /nfs/dbraw/zinc/23/52/67/385235267.db2.gz GRCRVVQGXPCOSI-QMMMGPOBSA-N 0 0 235.312 2.767 50 0 BFAARN CC(C)CCCNC(=O)c1cccs1 ZINC000005643377 385251725 /nfs/dbraw/zinc/25/17/25/385251725.db2.gz UCXJBDICTDGRHX-UHFFFAOYSA-N 0 0 211.330 2.914 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)C(C)C)cc1 ZINC000045174574 385254082 /nfs/dbraw/zinc/25/40/82/385254082.db2.gz NPWBDXZFHCXGQE-LLVKDONJSA-N 0 0 205.301 2.828 50 0 BFAARN Cc1ccsc1CN(Cc1ncc[nH]1)C1CC1 ZINC000065422696 385309378 /nfs/dbraw/zinc/30/93/78/385309378.db2.gz JQTQEBXQCYCKSF-UHFFFAOYSA-N 0 0 247.367 2.944 50 0 BFAARN Nc1cncc(-n2ccc(-c3ccccc3)n2)c1 ZINC000065458280 385311195 /nfs/dbraw/zinc/31/11/95/385311195.db2.gz UTZFVMQTMPJFOA-UHFFFAOYSA-N 0 0 236.278 2.517 50 0 BFAARN CCn1c2ccccc2nc1[C@@H]1CCCO1 ZINC000004386845 385324376 /nfs/dbraw/zinc/32/43/76/385324376.db2.gz RTVLHXYBEKPZNC-LBPRGKRZSA-N 0 0 216.284 2.908 50 0 BFAARN CC(=O)n1c(C=O)c(Cl)c2ccccc21 ZINC000000507449 385273717 /nfs/dbraw/zinc/27/37/17/385273717.db2.gz CCYQRVAEQCVTGS-UHFFFAOYSA-N 0 0 221.643 2.767 50 0 BFAARN Cc1c(Br)c(=O)oc2ccccc12 ZINC000000294872 385279524 /nfs/dbraw/zinc/27/95/24/385279524.db2.gz AMCMKJDOOQSYBN-UHFFFAOYSA-N 0 0 239.068 2.864 50 0 BFAARN CC(=O)Nc1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000006493448 385285761 /nfs/dbraw/zinc/28/57/61/385285761.db2.gz IIKSZRFVYVTNHL-UHFFFAOYSA-N 0 0 235.674 2.689 50 0 BFAARN O=C(C[C@@H]1C=CCC1)Nc1ccccc1O ZINC000015518894 385296169 /nfs/dbraw/zinc/29/61/69/385296169.db2.gz XLDCFSFHPOQNEY-SNVBAGLBSA-N 0 0 217.268 2.687 50 0 BFAARN C[C@@H]1C[C@@]1(Cl)[S@@](=O)c1ccccc1 ZINC000169724574 385417287 /nfs/dbraw/zinc/41/72/87/385417287.db2.gz BASQNYBLNPBUEJ-JQEORGNBSA-N 0 0 214.717 2.769 50 0 BFAARN O=Cc1ccc(N2CCCC(F)(F)C2)c(F)c1 ZINC000169725238 385417318 /nfs/dbraw/zinc/41/73/18/385417318.db2.gz QOAXXDHFZQOWAL-UHFFFAOYSA-N 0 0 243.228 2.874 50 0 BFAARN COc1ncnc2c3cc(Cl)ccc3[nH]c21 ZINC000000545333 385490892 /nfs/dbraw/zinc/49/08/92/385490892.db2.gz UVRHXCKIYQWIGD-UHFFFAOYSA-N 0 0 233.658 2.773 50 0 BFAARN Cc1ccsc1C(=O)N1CCC(C)CC1 ZINC000002772536 385511098 /nfs/dbraw/zinc/51/10/98/385511098.db2.gz XXYMXAQIGQFGII-UHFFFAOYSA-N 0 0 223.341 2.929 50 0 BFAARN CCCC(=O)N1CCCN(C)c2ccccc21 ZINC000078149982 385528816 /nfs/dbraw/zinc/52/88/16/385528816.db2.gz BPXIIUNXVDWRRP-UHFFFAOYSA-N 0 0 232.327 2.660 50 0 BFAARN CCCCNC(=O)N1CCCCCCC1 ZINC000020515176 385663260 /nfs/dbraw/zinc/66/32/60/385663260.db2.gz BHVYVAIVXREQIU-UHFFFAOYSA-N 0 0 212.337 2.762 50 0 BFAARN Clc1ccc(N=NCc2cccs2)nn1 ZINC000254737273 385711553 /nfs/dbraw/zinc/71/15/53/385711553.db2.gz MKWRCDZPGOWOMA-UHFFFAOYSA-N 0 0 238.703 2.638 50 0 BFAARN Cc1cc(Br)cc(SCCO)c1 ZINC000255190461 385713022 /nfs/dbraw/zinc/71/30/22/385713022.db2.gz XJCZCFRLADOIIT-UHFFFAOYSA-N 0 0 247.157 2.842 50 0 BFAARN Cc1ccccc1CN=Nc1ccc(Cl)nn1 ZINC000254869997 385728134 /nfs/dbraw/zinc/72/81/34/385728134.db2.gz QIWZZMUPNOESPA-UHFFFAOYSA-N 0 0 246.701 2.884 50 0 BFAARN COC(=O)c1cc(Br)cc(F)c1C ZINC000261506828 385816116 /nfs/dbraw/zinc/81/61/16/385816116.db2.gz BIVRALFYMUTHBC-UHFFFAOYSA-N 0 0 247.063 2.683 50 0 BFAARN Cc1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC000005818456 385789507 /nfs/dbraw/zinc/78/95/07/385789507.db2.gz VSAHWCWASCZTME-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN CCN(CC(F)F)C(=O)Nc1nc(C)cs1 ZINC000182747736 385893031 /nfs/dbraw/zinc/89/30/31/385893031.db2.gz CADGSJYZDGDKPF-UHFFFAOYSA-N 0 0 249.286 2.570 50 0 BFAARN CCCNC(=O)CCCC(=O)c1ccccc1 ZINC000006946723 385867203 /nfs/dbraw/zinc/86/72/03/385867203.db2.gz PQGMAPVQQLPDCM-UHFFFAOYSA-N 0 0 233.311 2.566 50 0 BFAARN Cc1ccc(C(=O)N[C@@H](C)c2ccccn2)s1 ZINC000012537371 385871830 /nfs/dbraw/zinc/87/18/30/385871830.db2.gz HUYAWOPVUPVUNI-JTQLQIEISA-N 0 0 246.335 2.943 50 0 BFAARN Cc1c([C@@H](C)O)sc2nc3ccccc3n12 ZINC000071773402 385877262 /nfs/dbraw/zinc/87/72/62/385877262.db2.gz VQFPHFJUVJDQAI-MRVPVSSYSA-N 0 0 232.308 2.911 50 0 BFAARN CCc1ccc(NC(=O)c2ccccn2)cc1 ZINC000008080608 385928345 /nfs/dbraw/zinc/92/83/45/385928345.db2.gz QMFKIUKJDAOHFC-UHFFFAOYSA-N 0 0 226.279 2.896 50 0 BFAARN CC(C)CCNC(=O)Cc1noc2ccccc12 ZINC000012729847 385978003 /nfs/dbraw/zinc/97/80/03/385978003.db2.gz KVHWJLYIIGHTOT-UHFFFAOYSA-N 0 0 246.310 2.533 50 0 BFAARN CC(=O)Nc1ncc(-c2ccc(Cl)cc2)n1C ZINC000012463361 385963396 /nfs/dbraw/zinc/96/33/96/385963396.db2.gz JOIHEZCGRJYMPM-UHFFFAOYSA-N 0 0 249.701 2.699 50 0 BFAARN Cc1cnccc1CN(C)C(=O)[C@H]1CC=CCC1 ZINC000222787350 386063303 /nfs/dbraw/zinc/06/33/03/386063303.db2.gz ACVDURQKXLFPME-ZDUSSCGKSA-N 0 0 244.338 2.705 50 0 BFAARN O=C1Nc2ccccc2/C1=C\c1cccc(O)c1 ZINC000012433066 386077685 /nfs/dbraw/zinc/07/76/85/386077685.db2.gz VHVCSZNJCUZDOG-UKTHLTGXSA-N 0 0 237.258 2.885 50 0 BFAARN COC(=O)Cc1cc(F)cc(Cl)c1Cl ZINC000263622802 386156941 /nfs/dbraw/zinc/15/69/41/386156941.db2.gz AZRYQRMLDZBRTF-UHFFFAOYSA-N 0 0 237.057 2.848 50 0 BFAARN Cc1ccc([C@@H](O)c2cccnc2)c(C)c1 ZINC000040245917 386184394 /nfs/dbraw/zinc/18/43/94/386184394.db2.gz FBDWWVRLLVSNBV-AWEZNQCLSA-N 0 0 213.280 2.780 50 0 BFAARN CSC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000038540869 386134850 /nfs/dbraw/zinc/13/48/50/386134850.db2.gz RBSTYDJFVDTJPH-UHFFFAOYSA-N 0 0 231.361 2.749 50 0 BFAARN O=C(CC(F)(F)F)NCCC1=CCCCC1 ZINC000040490331 386210242 /nfs/dbraw/zinc/21/02/42/386210242.db2.gz KJGPRWXPUJJKJC-UHFFFAOYSA-N 0 0 235.249 2.946 50 0 BFAARN Cc1cc(C)c2ccc(NC(=O)C(C)C)nc2n1 ZINC000040818261 386235858 /nfs/dbraw/zinc/23/58/58/386235858.db2.gz JCDSMCBWSLQACQ-UHFFFAOYSA-N 0 0 243.310 2.841 50 0 BFAARN Cc1nc(C)n(Cc2cc(F)ccc2Cl)n1 ZINC000225458445 386196486 /nfs/dbraw/zinc/19/64/86/386196486.db2.gz ZDEJWEKSZWEHQD-UHFFFAOYSA-N 0 0 239.681 2.736 50 0 BFAARN Cc1n[nH]cc1C(=O)Oc1cc(C)cc(C)c1C ZINC000225527923 386199944 /nfs/dbraw/zinc/19/99/44/386199944.db2.gz NPWKLJFBIMZZKX-UHFFFAOYSA-N 0 0 244.294 2.863 50 0 BFAARN Cc1noc(CN2CCc3sccc3[C@@H]2C)n1 ZINC000044897044 386283425 /nfs/dbraw/zinc/28/34/25/386283425.db2.gz GWGZTMSPLGHULF-QMMMGPOBSA-N 0 0 249.339 2.559 50 0 BFAARN Cc1noc(CN2CCC[C@@H]2c2ccsc2)n1 ZINC000044937853 386344239 /nfs/dbraw/zinc/34/42/39/386344239.db2.gz VLWPAZKYLJXTSQ-LLVKDONJSA-N 0 0 249.339 2.777 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)no1 ZINC000052918035 386355542 /nfs/dbraw/zinc/35/55/42/386355542.db2.gz KFTGPOALGWOPPR-AAEUAGOBSA-N 0 0 248.326 2.778 50 0 BFAARN CCc1ccccc1NC(=O)c1cnn(C)c1C ZINC000001002108 386379771 /nfs/dbraw/zinc/37/97/71/386379771.db2.gz ZLZFDNXFLLILEU-UHFFFAOYSA-N 0 0 243.310 2.543 50 0 BFAARN Cc1cc(Br)cnc1NCC1CC1 ZINC000086707191 386430858 /nfs/dbraw/zinc/43/08/58/386430858.db2.gz SOVSHZURSLVCAK-UHFFFAOYSA-N 0 0 241.132 2.974 50 0 BFAARN Cc1ccc(C(=O)Nc2ccccn2)cc1 ZINC000012410444 386536975 /nfs/dbraw/zinc/53/69/75/386536975.db2.gz BSVQSENXORJKSQ-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN Cc1cc(C)nc(C(=O)C2CCCCC2)n1 ZINC000239562648 386542144 /nfs/dbraw/zinc/54/21/44/386542144.db2.gz IFGXEBFMVJVIGO-UHFFFAOYSA-N 0 0 218.300 2.856 50 0 BFAARN C[C@H]1OCC[C@@H]1SCc1nccs1 ZINC000095974127 386562178 /nfs/dbraw/zinc/56/21/78/386562178.db2.gz XCYHAGCAVUPFRW-SFYZADRCSA-N 0 0 215.343 2.554 50 0 BFAARN CSC[C@H](C)C(=O)Nc1cc2cc[nH]c2cn1 ZINC000585090757 386660358 /nfs/dbraw/zinc/66/03/58/386660358.db2.gz FGYJYWOKQNOATM-QMMMGPOBSA-N 0 0 249.339 2.501 50 0 BFAARN CC[C@H](NC(=O)CC(C)=C(C)C)[C@H](O)C(C)C ZINC000585132215 386680006 /nfs/dbraw/zinc/68/00/06/386680006.db2.gz QQJLGKIRUHUJEX-GXTWGEPZSA-N 0 0 241.375 2.645 50 0 BFAARN CC1(C)CN2C(=O)c3ccccc3[C@@H]2S1 ZINC000004072814 386738974 /nfs/dbraw/zinc/73/89/74/386738974.db2.gz WEMLWLXBMJJMNS-NSHDSACASA-N 0 0 219.309 2.666 50 0 BFAARN Cc1n[nH]cc1-c1nnc(C2CCCCC2)[nH]1 ZINC000080041977 386727140 /nfs/dbraw/zinc/72/71/40/386727140.db2.gz MVSAIELRNMAKEB-UHFFFAOYSA-N 0 0 231.303 2.551 50 0 BFAARN O=C(c1nc2ccccc2[nH]1)N1CCCCCC1 ZINC000082271603 386727185 /nfs/dbraw/zinc/72/71/85/386727185.db2.gz SQWBLHWTPGRBOW-UHFFFAOYSA-N 0 0 243.310 2.579 50 0 BFAARN CCC[C@H](C)Sc1ncnc2c1cnn2C ZINC000075093564 386752170 /nfs/dbraw/zinc/75/21/70/386752170.db2.gz UKKHCBLZGAWMLL-QMMMGPOBSA-N 0 0 236.344 2.644 50 0 BFAARN CC(=O)c1ccc(OCC(F)(F)F)c(F)c1 ZINC000019871241 386839041 /nfs/dbraw/zinc/83/90/41/386839041.db2.gz UPWCLYKAQJPDBN-UHFFFAOYSA-N 0 0 236.164 2.969 50 0 BFAARN CC(C)C(=O)Nc1ccc(N)cc1Cl ZINC000000569981 166730678 /nfs/dbraw/zinc/73/06/78/166730678.db2.gz LOVISBVJDBTJEM-UHFFFAOYSA-N 0 0 212.680 2.517 50 0 BFAARN Cc1cc2[nH]c(C(=O)N3CCC3)cc2c(C)c1 ZINC000032893615 386943202 /nfs/dbraw/zinc/94/32/02/386943202.db2.gz AQVDKJYHPMJERU-UHFFFAOYSA-N 0 0 228.295 2.631 50 0 BFAARN CCCCNC(=O)c1cccc(OC(F)F)c1 ZINC000047464454 386984006 /nfs/dbraw/zinc/98/40/06/386984006.db2.gz IRPQWGZHJLOHND-UHFFFAOYSA-N 0 0 243.253 2.818 50 0 BFAARN COCCn1c(C)c(C)nc1SCC(C)C ZINC000047560557 386995999 /nfs/dbraw/zinc/99/59/99/386995999.db2.gz UAJYLWVPSHDKMN-UHFFFAOYSA-N 0 0 242.388 2.894 50 0 BFAARN CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000251393270 387042438 /nfs/dbraw/zinc/04/24/38/387042438.db2.gz UMRXNHLOLHXPOS-ZIAGYGMSSA-N 0 0 247.338 2.619 50 0 BFAARN O=C(/C=C/c1ccncc1)Nc1ccccc1F ZINC000029107802 387021452 /nfs/dbraw/zinc/02/14/52/387021452.db2.gz ANBTYURNPDHLNM-AATRIKPKSA-N 0 0 242.253 2.873 50 0 BFAARN CC(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000066809252 387090102 /nfs/dbraw/zinc/09/01/02/387090102.db2.gz GGXTYJPIAJIUNQ-UHFFFAOYSA-N 0 0 216.240 2.608 50 0 BFAARN CC(=O)Nc1cc2ccccc2nc1C ZINC000143378036 387099460 /nfs/dbraw/zinc/09/94/60/387099460.db2.gz YVRNMYJUJHJDON-UHFFFAOYSA-N 0 0 200.241 2.502 50 0 BFAARN Cc1cc(C)c(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)[nH]1 ZINC000089568585 387179229 /nfs/dbraw/zinc/17/92/29/387179229.db2.gz PQKABQKWTLQSLZ-BETUJISGSA-N 0 0 246.354 2.894 50 0 BFAARN O=C(C1CCCCCC1)N1CCSCC1 ZINC000089818853 387185128 /nfs/dbraw/zinc/18/51/28/387185128.db2.gz OXIKRMBWCFTKRC-UHFFFAOYSA-N 0 0 227.373 2.532 50 0 BFAARN O=C(C1CC1)N1CCC2(CCCCC2)CC1 ZINC000089818562 387186314 /nfs/dbraw/zinc/18/63/14/387186314.db2.gz ZMJYTISNACKKAW-UHFFFAOYSA-N 0 0 221.344 2.969 50 0 BFAARN O=CNc1ccc(Br)cc1Cl ZINC000000398703 387218865 /nfs/dbraw/zinc/21/88/65/387218865.db2.gz QOWVYRXSLIGKGS-UHFFFAOYSA-N 0 0 234.480 2.671 50 0 BFAARN CCc1cc(C(=O)Nc2ccccc2F)no1 ZINC000064555125 387219340 /nfs/dbraw/zinc/21/93/40/387219340.db2.gz JDWBPUGVZJYDFW-UHFFFAOYSA-N 0 0 234.230 2.628 50 0 BFAARN CN(Cc1cccs1)C(=O)NC(C)(C)C ZINC000064554256 387219709 /nfs/dbraw/zinc/21/97/09/387219709.db2.gz RWMSRXJFMCCAKD-UHFFFAOYSA-N 0 0 226.345 2.688 50 0 BFAARN CCc1cc(C(=O)Nc2cc(F)ccc2C)no1 ZINC000064555133 387219995 /nfs/dbraw/zinc/21/99/95/387219995.db2.gz YUOVIWJBLMQJNH-UHFFFAOYSA-N 0 0 248.257 2.937 50 0 BFAARN CC(C)c1cc([C@@H]2CCCN2C(=O)C2CC2)no1 ZINC000064555459 387220610 /nfs/dbraw/zinc/22/06/10/387220610.db2.gz LJAZGAVFQHUNMZ-LBPRGKRZSA-N 0 0 248.326 2.872 50 0 BFAARN CCCn1ccc(NC(=O)c2cccc(F)c2)n1 ZINC000064555672 387220770 /nfs/dbraw/zinc/22/07/70/387220770.db2.gz RRPBYINLUAWJTL-UHFFFAOYSA-N 0 0 247.273 2.685 50 0 BFAARN CCCn1ccc(NC(=O)Nc2ccccc2)n1 ZINC000064555964 387221138 /nfs/dbraw/zinc/22/11/38/387221138.db2.gz SIWUCSYVVGEFLL-UHFFFAOYSA-N 0 0 244.298 2.937 50 0 BFAARN Cc1ccc(C)c(Sc2nccn(C)c2=O)c1 ZINC000095403032 387227188 /nfs/dbraw/zinc/22/71/88/387227188.db2.gz JLDWOKWVBNQGBS-UHFFFAOYSA-N 0 0 246.335 2.548 50 0 BFAARN CCc1cccc(N(C#N)Cc2ccon2)c1 ZINC000089289526 387227790 /nfs/dbraw/zinc/22/77/90/387227790.db2.gz SEQKFCLUYFEBIF-UHFFFAOYSA-N 0 0 227.267 2.725 50 0 BFAARN CC(=O)COc1ccc(Cl)c2cccnc12 ZINC000006625632 387249753 /nfs/dbraw/zinc/24/97/53/387249753.db2.gz TYWWHORZNVMGCG-UHFFFAOYSA-N 0 0 235.670 2.856 50 0 BFAARN O=C(C1CC1)N1CCC[C@@H]1c1cccs1 ZINC000033028508 387197289 /nfs/dbraw/zinc/19/72/89/387197289.db2.gz OWPGWTAMHQQVNN-SNVBAGLBSA-N 0 0 221.325 2.822 50 0 BFAARN CCc1cc(O)ccc1NC(=O)[C@H]1C[C@H]1C ZINC000191014960 387199766 /nfs/dbraw/zinc/19/97/66/387199766.db2.gz GPUSEFGLBZWAAO-KCJUWKMLSA-N 0 0 219.284 2.549 50 0 BFAARN Cn1cccc1CNC(=O)CCC1CCCC1 ZINC000075352191 387257847 /nfs/dbraw/zinc/25/78/47/387257847.db2.gz UPBGLKPJCRJKIA-UHFFFAOYSA-N 0 0 234.343 2.612 50 0 BFAARN CCOC(=O)C1=C(OC(=O)C(C)(C)C)CCC1 ZINC000043214734 387273703 /nfs/dbraw/zinc/27/37/03/387273703.db2.gz CWVGMHRXMDGMKT-UHFFFAOYSA-N 0 0 240.299 2.577 50 0 BFAARN COC(=O)c1cccc(-c2ccc(F)cn2)c1 ZINC000253495757 387291644 /nfs/dbraw/zinc/29/16/44/387291644.db2.gz QGUSAMQGBLXWJO-UHFFFAOYSA-N 0 0 231.226 2.674 50 0 BFAARN CC(C)c1ccc(N2C(=S)N=NC2C)cc1 ZINC000006402024 387379266 /nfs/dbraw/zinc/37/92/66/387379266.db2.gz UODBEFAKNKAUKZ-UHFFFAOYSA-N 0 0 233.340 2.988 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)Nc1cccc2ncccc21 ZINC000032750125 387443229 /nfs/dbraw/zinc/44/32/29/387443229.db2.gz JSTKKYQEQZNXOC-MWLCHTKSSA-N 0 0 226.279 2.829 50 0 BFAARN CCCCC(=O)N1CCn2c3ccccc3nc21 ZINC000032752863 387455076 /nfs/dbraw/zinc/45/50/76/387455076.db2.gz WYAGJPBCIJDKKK-UHFFFAOYSA-N 0 0 243.310 2.573 50 0 BFAARN CC(C)(C)NC(=O)NCc1cncc(C2CC2)c1 ZINC000575606953 387393835 /nfs/dbraw/zinc/39/38/35/387393835.db2.gz WLORQDKVEYWELL-UHFFFAOYSA-N 0 0 247.342 2.557 50 0 BFAARN CCc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 ZINC000012876931 387420319 /nfs/dbraw/zinc/42/03/19/387420319.db2.gz OVHVWSADUBTFGW-LLVKDONJSA-N 0 0 243.310 2.645 50 0 BFAARN C[C@@H](NC(=O)C1CCC1)c1cccs1 ZINC000012890380 387505687 /nfs/dbraw/zinc/50/56/87/387505687.db2.gz NDLAENYFCCFFRT-MRVPVSSYSA-N 0 0 209.314 2.725 50 0 BFAARN CCCc1cc(=O)n(-c2ccccc2C)[nH]1 ZINC000100070253 387470888 /nfs/dbraw/zinc/47/08/88/387470888.db2.gz CGYWKOGIWZPMPL-UHFFFAOYSA-N 0 0 216.284 2.839 50 0 BFAARN CCC1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000101480337 387471507 /nfs/dbraw/zinc/47/15/07/387471507.db2.gz XOWULSXUQDMELV-UHFFFAOYSA-N 0 0 220.247 2.588 50 0 BFAARN CONC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000089420513 387488057 /nfs/dbraw/zinc/48/80/57/387488057.db2.gz AIBSUEFOEGYDGK-UONOGXRCSA-N 0 0 241.290 2.621 50 0 BFAARN Cc1ccc(/C=C/C(=O)Nc2ccccn2)o1 ZINC000005394482 387493518 /nfs/dbraw/zinc/49/35/18/387493518.db2.gz ATEHSGJSFUTMNU-BQYQJAHWSA-N 0 0 228.251 2.635 50 0 BFAARN COc1ccc(C)nc1-c1ccnn1C(C)C ZINC000426627805 387583182 /nfs/dbraw/zinc/58/31/82/387583182.db2.gz ODWMWBWWRGMBGE-UHFFFAOYSA-N 0 0 231.299 2.843 50 0 BFAARN CCn1nc(-c2ccc(C)cc2C)nc1N(C)C ZINC000426668967 387583662 /nfs/dbraw/zinc/58/36/62/387583662.db2.gz IFLZFNUSUYKBBP-UHFFFAOYSA-N 0 0 244.342 2.648 50 0 BFAARN COc1cc(C)cc(OC)c1-c1ncccc1O ZINC000426689276 387585832 /nfs/dbraw/zinc/58/58/32/387585832.db2.gz PAVVNAMCGNNVHT-UHFFFAOYSA-N 0 0 245.278 2.780 50 0 BFAARN CCc1cc(-c2cccc3ccnn32)nc(C)n1 ZINC000426690712 387586497 /nfs/dbraw/zinc/58/64/97/387586497.db2.gz QEXMYCANZZXIKU-UHFFFAOYSA-N 0 0 238.294 2.662 50 0 BFAARN CCOc1ncccc1-c1nc(C)ccc1OC ZINC000426726968 387588480 /nfs/dbraw/zinc/58/84/80/387588480.db2.gz WXONESHESCSNQO-UHFFFAOYSA-N 0 0 244.294 2.859 50 0 BFAARN N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000328599180 387555707 /nfs/dbraw/zinc/55/57/07/387555707.db2.gz QHZNQJFIAMWCQX-VIFPVBQESA-N 0 0 232.180 2.869 50 0 BFAARN Cc1noc(C)c1Cn1cnc2ccccc21 ZINC000036640228 387556115 /nfs/dbraw/zinc/55/61/15/387556115.db2.gz QFVLPWUAQJRVMV-UHFFFAOYSA-N 0 0 227.267 2.689 50 0 BFAARN Cc1ccc2[nH]cc(-c3cnc4ncnn4c3)c2c1 ZINC000426394744 387562885 /nfs/dbraw/zinc/56/28/85/387562885.db2.gz UFBWPDOLURRATP-UHFFFAOYSA-N 0 0 249.277 2.581 50 0 BFAARN Cn1cnc(-c2ccc(Cl)cc2Cl)n1 ZINC000426403448 387564978 /nfs/dbraw/zinc/56/49/78/387564978.db2.gz DLUKXAGMPROYCI-UHFFFAOYSA-N 0 0 228.082 2.789 50 0 BFAARN Nc1ccc(-c2ccc(-n3cccn3)cc2)nc1 ZINC000426410447 387567060 /nfs/dbraw/zinc/56/70/60/387567060.db2.gz GWNBNBXMYXVQST-UHFFFAOYSA-N 0 0 236.278 2.517 50 0 BFAARN COc1ccc(OC)c(-c2cncc(OC)c2)c1 ZINC000426444432 387569313 /nfs/dbraw/zinc/56/93/13/387569313.db2.gz DWKGDMZOXRWFRN-UHFFFAOYSA-N 0 0 245.278 2.774 50 0 BFAARN CCc1nc(-c2cccc3cccnc32)nn1C ZINC000426465482 387571138 /nfs/dbraw/zinc/57/11/38/387571138.db2.gz PUNAFEWWFJJMEK-UHFFFAOYSA-N 0 0 238.294 2.593 50 0 BFAARN CCCc1nnc(-c2ccc(OC)nc2)s1 ZINC000426503408 387576156 /nfs/dbraw/zinc/57/61/56/387576156.db2.gz DJVMBXLQHZQKDF-UHFFFAOYSA-N 0 0 235.312 2.561 50 0 BFAARN Cc1c[nH]c([C@H](C)NC(=O)CCC(C)(C)C)n1 ZINC000426526046 387578663 /nfs/dbraw/zinc/57/86/63/387578663.db2.gz JSCDNTHSORXRHT-JTQLQIEISA-N 0 0 237.347 2.722 50 0 BFAARN C[C@@H]1[C@H](c2ccccc2)CCN1c1cnccn1 ZINC000267574418 387632717 /nfs/dbraw/zinc/63/27/17/387632717.db2.gz XWKLFHKWBAZNMJ-TZMCWYRMSA-N 0 0 239.322 2.859 50 0 BFAARN CC/C=C(/C)C(=O)OCc1noc(C(C)C)n1 ZINC000063932500 387663526 /nfs/dbraw/zinc/66/35/26/387663526.db2.gz KPUWAXWSMCJFQO-TWGQIWQCSA-N 0 0 238.287 2.593 50 0 BFAARN Cc1ccc(OCCCC(=O)NC(C)C)cc1 ZINC000001773866 387691297 /nfs/dbraw/zinc/69/12/97/387691297.db2.gz HZEDUDRRVBJHGS-UHFFFAOYSA-N 0 0 235.327 2.679 50 0 BFAARN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000032903803 387726146 /nfs/dbraw/zinc/72/61/46/387726146.db2.gz KHAILMGSZQWCER-QWRGUYRKSA-N 0 0 232.327 2.508 50 0 BFAARN Cc1cc(C(=O)N[C@@H](C)c2cccs2)on1 ZINC000036397529 387796310 /nfs/dbraw/zinc/79/63/10/387796310.db2.gz QNOCOAVVMQVZGU-QMMMGPOBSA-N 0 0 236.296 2.536 50 0 BFAARN Cc1cc(C(=O)N[C@H](C)c2cccs2)on1 ZINC000036397530 387796775 /nfs/dbraw/zinc/79/67/75/387796775.db2.gz QNOCOAVVMQVZGU-MRVPVSSYSA-N 0 0 236.296 2.536 50 0 BFAARN Cc1csc(CNC(=O)c2ccc(C)cc2)n1 ZINC000041528786 387822203 /nfs/dbraw/zinc/82/22/03/387822203.db2.gz LRBRXIBTMDCGLX-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN COCCc1noc(-c2ccc(C)cc2C)n1 ZINC000065432070 387927670 /nfs/dbraw/zinc/92/76/70/387927670.db2.gz JLPVVWIPRABBPK-UHFFFAOYSA-N 0 0 232.283 2.542 50 0 BFAARN Cc1cc(C(=O)OCC(=O)C(C)(C)C)c(C)o1 ZINC000003240325 177825448 /nfs/dbraw/zinc/82/54/48/177825448.db2.gz QQBFLSQWQSZQIB-UHFFFAOYSA-N 0 0 238.283 2.668 50 0 BFAARN O=C(/C=C/c1ccco1)NCCc1cccs1 ZINC000036858749 387941450 /nfs/dbraw/zinc/94/14/50/387941450.db2.gz IZIRCPHDBPFOBH-AATRIKPKSA-N 0 0 247.319 2.713 50 0 BFAARN Cc1cc(C(=O)Nc2ccc3[nH]ccc3c2)no1 ZINC000000155226 177818272 /nfs/dbraw/zinc/81/82/72/177818272.db2.gz VJGHVVSAQTZVLK-UHFFFAOYSA-N 0 0 241.250 2.717 50 0 BFAARN CC(C)CCNC(=O)c1ccc2c(ccn2C)c1 ZINC000036369902 388019192 /nfs/dbraw/zinc/01/91/92/388019192.db2.gz GGNCABAOHSHUAX-UHFFFAOYSA-N 0 0 244.338 2.954 50 0 biogenic BFAARN C[C@H](NC(=O)c1ccco1)c1ccc(F)cc1 ZINC000007304181 388036101 /nfs/dbraw/zinc/03/61/01/388036101.db2.gz XULPCVZNQOJWGU-VIFPVBQESA-N 0 0 233.242 2.910 50 0 BFAARN CCCCS(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000006853785 388030502 /nfs/dbraw/zinc/03/05/02/388030502.db2.gz PJJDQLAJHGQVNE-UHFFFAOYSA-N 0 0 249.282 2.507 50 0 BFAARN Cc1ccncc1NC(=O)c1cccc(F)c1F ZINC000071414139 388092466 /nfs/dbraw/zinc/09/24/66/388092466.db2.gz GTDZALNHFAIESD-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN C[C@@H](NC(=O)Nc1ccccc1)C1CC1 ZINC000010109382 388097391 /nfs/dbraw/zinc/09/73/91/388097391.db2.gz VBBOGUVAPQGDSX-SECBINFHSA-N 0 0 204.273 2.607 50 0 in-vitro BFAARN C[C@@H]1C[C@H](Sc2ccccc2F)C(=O)O1 ZINC000065613102 388160988 /nfs/dbraw/zinc/16/09/88/388160988.db2.gz BXCWIZOFEGMQNH-XCBNKYQSSA-N 0 0 226.272 2.622 50 0 BFAARN Cn1ccc(CNC(=O)NC2(C)CCCCC2)c1 ZINC000170016557 388255980 /nfs/dbraw/zinc/25/59/80/388255980.db2.gz ZBFOLYOCJZYZKM-UHFFFAOYSA-N 0 0 249.358 2.547 50 0 BFAARN COc1ncccc1N[C@H](C)c1cncc(F)c1 ZINC000170067559 388257652 /nfs/dbraw/zinc/25/76/52/388257652.db2.gz FYDIIUXSSQMWGS-SECBINFHSA-N 0 0 247.273 2.797 50 0 BFAARN CC(C)[C@@H]([NH2+]C[C@H]1CCCC(C)(C)C1)C(=O)[O-] ZINC000170090857 388258179 /nfs/dbraw/zinc/25/81/79/388258179.db2.gz RVGLVGIPCAZXPC-NWDGAFQWSA-N 0 0 241.375 2.902 50 0 BFAARN CC1(C)N=C(c2ccc(F)cc2)C(=S)N1 ZINC000004890619 322813857 /nfs/dbraw/zinc/81/38/57/322813857.db2.gz FVTNIDAIZMEYCL-UHFFFAOYSA-N 0 0 222.288 2.693 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NCCc1ccccc1Cl ZINC000067084377 388404737 /nfs/dbraw/zinc/40/47/37/388404737.db2.gz UEKGVEDTFXERPX-MWLCHTKSSA-N 0 0 237.730 2.655 50 0 BFAARN Cc1ccc(CNc2cnccc2CO)c(C)c1 ZINC000089613901 388354998 /nfs/dbraw/zinc/35/49/98/388354998.db2.gz HKMRWUYUNVPRGH-UHFFFAOYSA-N 0 0 242.322 2.803 50 0 BFAARN Cc1cc(C)cc(C(=O)Nc2ncccc2O)c1 ZINC000057632422 388364707 /nfs/dbraw/zinc/36/47/07/388364707.db2.gz HEDIHFBRWMAOJN-UHFFFAOYSA-N 0 0 242.278 2.656 50 0 BFAARN Cc1[nH]ccc1C(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000163141907 388370491 /nfs/dbraw/zinc/37/04/91/388370491.db2.gz UWFKFOUCJKSKRU-QWRGUYRKSA-N 0 0 234.343 2.831 50 0 BFAARN CCC[C@H](C)C(=O)N1CCCO[C@H]2CCC[C@@H]21 ZINC000089949449 388375035 /nfs/dbraw/zinc/37/50/35/388375035.db2.gz YYUZZXMHNICMID-AVGNSLFASA-N 0 0 239.359 2.593 50 0 BFAARN C[C@@H](NC(=O)c1ccccn1)c1ccc(F)cc1 ZINC000003344762 388375407 /nfs/dbraw/zinc/37/54/07/388375407.db2.gz YFHWYTUOFFKNTA-SNVBAGLBSA-N 0 0 244.269 2.712 50 0 BFAARN CN(Cc1ccsc1)C(=O)NC1CCCC1 ZINC000030991390 388379858 /nfs/dbraw/zinc/37/98/58/388379858.db2.gz ZKYOFRZJFQSTSK-UHFFFAOYSA-N 0 0 238.356 2.832 50 0 BFAARN O=c1[nH]c(C=Cc2ccccc2)nc2cnccc21 ZINC000254914012 388391110 /nfs/dbraw/zinc/39/11/10/388391110.db2.gz CJSSBKSHSDHLTL-SREVYHEPSA-N 0 0 249.273 2.901 50 0 BFAARN COC[C@@H](C)OC(=O)c1ccccc1Cl ZINC000008602903 388406529 /nfs/dbraw/zinc/40/65/29/388406529.db2.gz BMBFQEHWEOSSHA-MRVPVSSYSA-N 0 0 228.675 2.532 50 0 BFAARN CCO[C@@H]1C[C@@H](Nc2ccnc(C)n2)C12CCC2 ZINC000195531021 388477628 /nfs/dbraw/zinc/47/76/28/388477628.db2.gz MJXJMLWZXKLZPS-VXGBXAGGSA-N 0 0 247.342 2.545 50 0 BFAARN CC[C@@H](C)C(=O)N[C@H](C)Cc1cccs1 ZINC000069413859 388415536 /nfs/dbraw/zinc/41/55/36/388415536.db2.gz HVRGWWISBYQUMV-NXEZZACHSA-N 0 0 225.357 2.841 50 0 BFAARN CCS[C@@H]1CCC[C@H]1Nc1nc(C)ns1 ZINC000195542709 388479126 /nfs/dbraw/zinc/47/91/26/388479126.db2.gz MWHYCNYMQRYDPW-RKDXNWHRSA-N 0 0 243.401 2.933 50 0 BFAARN Cc1noc(C)c1CN1CCc2sccc2C1 ZINC000040487670 388417775 /nfs/dbraw/zinc/41/77/75/388417775.db2.gz PCHQIVZZHIDYGM-UHFFFAOYSA-N 0 0 248.351 2.911 50 0 BFAARN Cc1nc(SCC2CCCCC2)n[nH]1 ZINC000040487665 388418008 /nfs/dbraw/zinc/41/80/08/388418008.db2.gz BBVLNVCTXUBSOE-UHFFFAOYSA-N 0 0 211.334 2.786 50 0 BFAARN Cc1ccc(C)c(CS[C@@H]2CCOC2=O)c1 ZINC000069811820 388427183 /nfs/dbraw/zinc/42/71/83/388427183.db2.gz WHBPWEDRHOTHOU-GFCCVEGCSA-N 0 0 236.336 2.852 50 0 BFAARN CCc1ccc([C@H](O)c2nccn2CC)cc1 ZINC000009421617 388433255 /nfs/dbraw/zinc/43/32/55/388433255.db2.gz MNJHWZRIUQFARN-ZDUSSCGKSA-N 0 0 230.311 2.547 50 0 BFAARN O=C(/C=C/c1nc2ccccc2s1)NC1CC1 ZINC000006433320 388519004 /nfs/dbraw/zinc/51/90/04/388519004.db2.gz YYNSPDQLJZUMIM-BQYQJAHWSA-N 0 0 244.319 2.588 50 0 BFAARN O[C@H]1Cc2ccc(NCCCCCF)cc2C1 ZINC000253415873 388592314 /nfs/dbraw/zinc/59/23/14/388592314.db2.gz LOUSHPQFPIEJGS-AWEZNQCLSA-N 0 0 237.318 2.698 50 0 BFAARN CNc1nc(C(=O)OC)c(-c2ccccc2)s1 ZINC000134211029 388593982 /nfs/dbraw/zinc/59/39/82/388593982.db2.gz GRHILZUWRLBERL-UHFFFAOYSA-N 0 0 248.307 2.638 50 0 BFAARN CCN(C(C)=O)c1ccc(Cl)cc1F ZINC000253433470 388594238 /nfs/dbraw/zinc/59/42/38/388594238.db2.gz XLFAKOTZUHNDAJ-UHFFFAOYSA-N 0 0 215.655 2.852 50 0 BFAARN CS[C@H]1CCC[C@H](Nc2cnccn2)C1 ZINC000227358098 388595674 /nfs/dbraw/zinc/59/56/74/388595674.db2.gz BOWKSLVJJFNLCO-UWVGGRQHSA-N 0 0 223.345 2.563 50 0 BFAARN Cn1cc(-c2csc(-c3ccoc3)n2)cn1 ZINC000089756598 388556458 /nfs/dbraw/zinc/55/64/58/388556458.db2.gz JVTMVNUDKBGFAR-UHFFFAOYSA-N 0 0 231.280 2.804 50 0 BFAARN Cc1cc(Br)sc1C=O ZINC000034473047 177723719 /nfs/dbraw/zinc/72/37/19/177723719.db2.gz NIXUUECXYHZKTI-UHFFFAOYSA-N 0 0 205.076 2.632 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(F)cc2C)on1 ZINC000008752328 388671329 /nfs/dbraw/zinc/67/13/29/388671329.db2.gz IAFMEZSQQURDPS-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN CCN(CC)C(=O)/C=C/c1ccccc1F ZINC000065520762 388677087 /nfs/dbraw/zinc/67/70/87/388677087.db2.gz ORFBORHRDLTVCA-MDZDMXLPSA-N 0 0 221.275 2.707 50 0 BFAARN C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)c1ccco1 ZINC000108459450 388623330 /nfs/dbraw/zinc/62/33/30/388623330.db2.gz KNXQBDBJRRLPMW-UTUOFQBUSA-N 0 0 223.316 2.888 50 0 BFAARN Cc1ccc(NCc2ncccn2)c(F)c1 ZINC000054459083 388625266 /nfs/dbraw/zinc/62/52/66/388625266.db2.gz XANAYCSKXGWBAP-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN FC(F)(F)Cc1ccc(Br)cn1 ZINC000091366355 388628468 /nfs/dbraw/zinc/62/84/68/388628468.db2.gz XDBQGOYOGIWYFG-UHFFFAOYSA-N 0 0 240.022 2.949 50 0 BFAARN Oc1ccc(C=NNc2ccc(F)cc2)cc1 ZINC000254300765 388635540 /nfs/dbraw/zinc/63/55/40/388635540.db2.gz MUBCLCQFZDZEBA-UHFFFAOYSA-N 0 0 230.242 2.977 50 0 BFAARN Fc1ccc(NCc2ccc3c(c2)CCO3)nc1 ZINC000083372537 388639334 /nfs/dbraw/zinc/63/93/34/388639334.db2.gz PRBINVDFQIGDNG-UHFFFAOYSA-N 0 0 244.269 2.768 50 0 BFAARN Clc1ccc(NCCNc2ccccn2)nc1 ZINC000078626379 388737428 /nfs/dbraw/zinc/73/74/28/388737428.db2.gz MDNJDLHTTGUXBM-UHFFFAOYSA-N 0 0 248.717 2.654 50 0 BFAARN CC(C)(C)c1noc(C2(c3cccnc3)CC2)n1 ZINC000328594940 388738003 /nfs/dbraw/zinc/73/80/03/388738003.db2.gz GKGILGGZDLEPRN-UHFFFAOYSA-N 0 0 243.310 2.842 50 0 BFAARN Cc1occc1C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000089540596 388737983 /nfs/dbraw/zinc/73/79/83/388737983.db2.gz IHDIPNADDDHPJB-WCQYABFASA-N 0 0 233.311 2.993 50 0 BFAARN O=C(C1CCCC1)N1CCC[C@H]2CCC[C@@H]21 ZINC000089818008 388740630 /nfs/dbraw/zinc/74/06/30/388740630.db2.gz CPAXREDCEZYJJO-YPMHNXCESA-N 0 0 221.344 2.968 50 0 BFAARN O=C(NC(C1CC1)C1CC1)N1C[C@H]2CCC[C@@H]2C1 ZINC000089817870 388740682 /nfs/dbraw/zinc/74/06/82/388740682.db2.gz MZJGSQNNXSFSIX-CHWSQXEVSA-N 0 0 248.370 2.617 50 0 BFAARN Cc1ccc(CNCc2cc[nH]n2)cc1Cl ZINC000225502709 388723942 /nfs/dbraw/zinc/72/39/42/388723942.db2.gz SPILZFBMSCWDRF-UHFFFAOYSA-N 0 0 235.718 2.661 50 0 BFAARN CCc1cccnc1NCc1cccc(O)c1 ZINC000095973201 388797599 /nfs/dbraw/zinc/79/75/99/388797599.db2.gz BOSMNSVBWFGLNI-UHFFFAOYSA-N 0 0 228.295 2.962 50 0 BFAARN CCOc1ccccc1N(C)C[C@H]1CCOC1 ZINC000095974427 388798150 /nfs/dbraw/zinc/79/81/50/388798150.db2.gz VKMFBXHXHUXGNU-GFCCVEGCSA-N 0 0 235.327 2.558 50 0 BFAARN Cc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1 ZINC000095983131 388799806 /nfs/dbraw/zinc/79/98/06/388799806.db2.gz TYMCGLCRHGDENQ-UHFFFAOYSA-N 0 0 243.262 2.659 50 0 BFAARN CC[C@H](SC)C(=O)Nc1cc(O)cc(F)c1 ZINC000095979235 388800282 /nfs/dbraw/zinc/80/02/82/388800282.db2.gz QJENOMDMSBHVAW-JTQLQIEISA-N 0 0 243.303 2.611 50 0 BFAARN C1CC(c2nc([C@H]3CCCCCN3)no2)C1 ZINC000096001576 388801399 /nfs/dbraw/zinc/80/13/99/388801399.db2.gz UURNWOATZRSETM-SNVBAGLBSA-N 0 0 221.304 2.542 50 0 BFAARN CCCc1nnc(NCc2ccc(OC)cc2)o1 ZINC000095990040 388801816 /nfs/dbraw/zinc/80/18/16/388801816.db2.gz LCEXUGJVYAHJGJ-UHFFFAOYSA-N 0 0 247.298 2.643 50 0 BFAARN CCCn1cc(N[C@@H](C)Cc2ccncc2)cn1 ZINC000095991567 388801929 /nfs/dbraw/zinc/80/19/29/388801929.db2.gz GQJSEKPVDLWAOZ-LBPRGKRZSA-N 0 0 244.342 2.731 50 0 BFAARN CCOc1cccc(Cn2ccc(C3CC3)n2)n1 ZINC000096009625 388804486 /nfs/dbraw/zinc/80/44/86/388804486.db2.gz FACQKCHFUUIENY-UHFFFAOYSA-N 0 0 243.310 2.603 50 0 BFAARN CC(=O)N[C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000096118351 388807672 /nfs/dbraw/zinc/80/76/72/388807672.db2.gz OEYSGCPCPXAZDN-ZDUSSCGKSA-N 0 0 246.285 2.821 50 0 BFAARN CC/C=C(\C)C(=O)NCc1cc(F)cc(F)c1 ZINC000096256102 388812078 /nfs/dbraw/zinc/81/20/78/388812078.db2.gz NLJDCBFMXMXDEP-RUDMXATFSA-N 0 0 239.265 2.937 50 0 BFAARN Cc1nc(CNc2nc(C)nc(C)c2C)cs1 ZINC000095370352 388764307 /nfs/dbraw/zinc/76/43/07/388764307.db2.gz FCQBNYNGMHQYNC-UHFFFAOYSA-N 0 0 248.355 2.779 50 0 BFAARN O=C([O-])CC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000095397878 388765448 /nfs/dbraw/zinc/76/54/48/388765448.db2.gz CUQUKODVZFIOCW-AWEZNQCLSA-N 0 0 247.338 2.558 50 0 BFAARN O=C(c1ccccc1)[C@H]1OC(=O)c2ccccc21 ZINC000000397124 388812542 /nfs/dbraw/zinc/81/25/42/388812542.db2.gz VFYWJHQGTBBWGY-AWEZNQCLSA-N 0 0 238.242 2.781 50 0 BFAARN Cc1cncc(NCc2cnn(C(C)(C)C)c2)c1 ZINC000095430902 388771724 /nfs/dbraw/zinc/77/17/24/388771724.db2.gz PSVGOTDMCSBTLE-UHFFFAOYSA-N 0 0 244.342 2.954 50 0 BFAARN CONC(=O)/C=C\c1cccc2ccccc12 ZINC000096248604 388812535 /nfs/dbraw/zinc/81/25/35/388812535.db2.gz HPHNJJGDPSZGNM-KTKRTIGZSA-N 0 0 227.263 2.531 50 0 BFAARN CCCCNC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000020538235 388777406 /nfs/dbraw/zinc/77/74/06/388777406.db2.gz CMJYJMMXQXOVMD-SNVBAGLBSA-N 0 0 238.306 2.986 50 0 BFAARN O=C(/C=C\c1ccc(F)cc1)NCC(F)(F)F ZINC000096305099 388814502 /nfs/dbraw/zinc/81/45/02/388814502.db2.gz FYRWVCBBRGXUGG-UTCJRWHESA-N 0 0 247.191 2.517 50 0 BFAARN Cc1cc(C(=O)N(C(C)C)C2CC2)ccc1N ZINC000097020210 388829417 /nfs/dbraw/zinc/82/94/17/388829417.db2.gz LSKPHHMLRJIEDX-UHFFFAOYSA-N 0 0 232.327 2.590 50 0 BFAARN c1[nH]nnc1SCCOC1CCCCCC1 ZINC000097014321 388829966 /nfs/dbraw/zinc/82/99/66/388829966.db2.gz ZHSJAAWEMVFZNV-UHFFFAOYSA-N 0 0 241.360 2.636 50 0 BFAARN CCN(C(=O)c1cscn1)c1cccnc1C ZINC000225542699 388834822 /nfs/dbraw/zinc/83/48/22/388834822.db2.gz NVLSUZNQMNQRBG-UHFFFAOYSA-N 0 0 247.323 2.513 50 0 BFAARN Cc1nc(-c2cc(C)nc3c(C)cccc23)n[nH]1 ZINC000065387457 177690139 /nfs/dbraw/zinc/69/01/39/177690139.db2.gz LSODPZFYSSXZCU-UHFFFAOYSA-N 0 0 238.294 2.945 50 0 BFAARN C[C@H]1CN(c2ccccn2)CCC1(F)F ZINC000291193212 132218060 /nfs/dbraw/zinc/21/80/60/132218060.db2.gz SYITZAQJCDTKLN-VIFPVBQESA-N 0 0 212.243 2.563 50 0 BFAARN O=C(c1cccnc1)N1CCCc2ccccc21 ZINC000000183272 132313194 /nfs/dbraw/zinc/31/31/94/132313194.db2.gz FZSRJRDHOSQBIG-UHFFFAOYSA-N 0 0 238.290 2.675 50 0 BFAARN Cc1cc(N2CCC(O)CC2)nc2ccccc12 ZINC000000244893 132313217 /nfs/dbraw/zinc/31/32/17/132313217.db2.gz PBODOLYEBSHHSA-UHFFFAOYSA-N 0 0 242.322 2.504 50 0 BFAARN c1ccc(-c2cnnc(N3CCCCC3)n2)cc1 ZINC000000506884 132313692 /nfs/dbraw/zinc/31/36/92/132313692.db2.gz JTVWLUARBXFHSK-UHFFFAOYSA-N 0 0 240.310 2.529 50 0 BFAARN CCCC(=O)N1CCCc2ccccc21 ZINC000001694841 132314443 /nfs/dbraw/zinc/31/44/43/132314443.db2.gz YQDKVTYBHKVETH-UHFFFAOYSA-N 0 0 203.285 2.766 50 0 BFAARN O=C(NC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000014401389 132322655 /nfs/dbraw/zinc/32/26/55/132322655.db2.gz MLIHWDBWSFRESQ-UHFFFAOYSA-N 0 0 244.338 2.569 50 0 BFAARN Cc1cc(C)nc(N2CCc3ccccc3C2)n1 ZINC000024052500 132332923 /nfs/dbraw/zinc/33/29/23/132332923.db2.gz FQQURZIZGHAVTI-UHFFFAOYSA-N 0 0 239.322 2.656 50 0 BFAARN OCc1ccc(N2CCCCC2)cc1Cl ZINC000032911331 132335459 /nfs/dbraw/zinc/33/54/59/132335459.db2.gz PDOLNWXZPRYAKL-UHFFFAOYSA-N 0 0 225.719 2.823 50 0 BFAARN CC1(C)C=CN(c2ccc(F)cc2)C(=S)N1 ZINC000056656560 132365652 /nfs/dbraw/zinc/36/56/52/132365652.db2.gz RYTFVWUDBSGFKX-UHFFFAOYSA-N 0 0 236.315 2.813 50 0 BFAARN Cc1cc(N2CCCC[C@@H]2C)ccc1N ZINC000059233854 132368622 /nfs/dbraw/zinc/36/86/22/132368622.db2.gz TZGRJKIRIAWBQL-NSHDSACASA-N 0 0 204.317 2.956 50 0 BFAARN CC(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000049159862 134629703 /nfs/dbraw/zinc/62/97/03/134629703.db2.gz OHLRAXZOZKNFQT-UHFFFAOYSA-N 0 0 247.323 2.780 50 0 BFAARN Cc1cc(C(=O)N[C@H]2CC[C@H](F)C2)oc1C ZINC000334276012 135332543 /nfs/dbraw/zinc/33/25/43/135332543.db2.gz NENLOPRTRVFFAW-UWVGGRQHSA-N 0 0 225.263 2.517 50 0 BFAARN O=C1[C@H](Sc2cccs2)CCN1C1CC1 ZINC000089800039 135542247 /nfs/dbraw/zinc/54/22/47/135542247.db2.gz WFKKIGVKTKGITF-SECBINFHSA-N 0 0 239.365 2.604 50 0 BFAARN COC(=N)c1ncc(C(F)(F)F)cc1Cl ZINC000169803086 397815760 /nfs/dbraw/zinc/81/57/60/397815760.db2.gz GCOJSNWVQMUVLS-UHFFFAOYSA-N 0 0 238.596 2.726 50 0 BFAARN CCCCNC(=O)N(C)C(C1CC1)C1CC1 ZINC000065282892 397961357 /nfs/dbraw/zinc/96/13/57/397961357.db2.gz CMLJSYBGRDQXAV-UHFFFAOYSA-N 0 0 224.348 2.617 50 0 BFAARN Cc1ccc(NC(=O)c2cccc(C)c2)nc1 ZINC000000438745 397915404 /nfs/dbraw/zinc/91/54/04/397915404.db2.gz YZHXVZGBFBEYAD-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000040539547 398028182 /nfs/dbraw/zinc/02/81/82/398028182.db2.gz AYSQNMFURHMHBB-UHFFFAOYSA-N 0 0 239.072 2.528 50 0 BFAARN Cc1noc(C)c1C(=O)N1CCC[C@@H](C)CC1 ZINC000062927499 398037113 /nfs/dbraw/zinc/03/71/13/398037113.db2.gz MEGOKIMJGBCBPG-SECBINFHSA-N 0 0 236.315 2.554 50 0 BFAARN CCONC(=O)c1ccc2c3c(cccc31)CC2 ZINC000022875361 397976161 /nfs/dbraw/zinc/97/61/61/397976161.db2.gz AOXBRQOXJVXRKB-UHFFFAOYSA-N 0 0 241.290 2.620 50 0 BFAARN CCc1cnc(C)nc1-c1ccnc2[nH]ccc21 ZINC000072165720 397978757 /nfs/dbraw/zinc/97/87/57/397978757.db2.gz HVVHRBNBNOHENC-UHFFFAOYSA-N 0 0 238.294 2.891 50 0 BFAARN Nc1cnc2c(cccc2C(F)(F)F)c1 ZINC000095802885 397983110 /nfs/dbraw/zinc/98/31/10/397983110.db2.gz QGMUHKAEGCPBLW-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN Cc1ccsc1CNC(=O)c1ccc(C)nc1 ZINC000025721243 397984629 /nfs/dbraw/zinc/98/46/29/397984629.db2.gz MZZFQVSXNWXWEU-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN Fc1cc(CNc2nncs2)ccc1Cl ZINC000083372070 398067800 /nfs/dbraw/zinc/06/78/00/398067800.db2.gz CXUNTNUXBDTMAF-UHFFFAOYSA-N 0 0 243.694 2.943 50 0 BFAARN Cc1cccc(C(=O)Nc2ccncc2F)c1 ZINC000095975738 398089419 /nfs/dbraw/zinc/08/94/19/398089419.db2.gz GNOGKGCOOYDIIA-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN Cc1cc(C)cc(C(=O)NCc2ccncc2)c1 ZINC000000001942 398120107 /nfs/dbraw/zinc/12/01/07/398120107.db2.gz JROSDBYIFZWPBP-UHFFFAOYSA-N 0 0 240.306 2.628 50 0 in-man BFAARN CCN(C(=O)CC(C)(C)C)c1cccnc1 ZINC000170779608 398129552 /nfs/dbraw/zinc/12/95/52/398129552.db2.gz DOFYKJSFJNKMEP-UHFFFAOYSA-N 0 0 220.316 2.871 50 0 BFAARN CC(=O)Nc1ncc(-c2cccc(Cl)c2)n1C ZINC000004678205 398122231 /nfs/dbraw/zinc/12/22/31/398122231.db2.gz ZMFBJMQRVSNEKD-UHFFFAOYSA-N 0 0 249.701 2.699 50 0 BFAARN CC(C)NC(=O)CCc1ccccc1Cl ZINC000036398417 167045771 /nfs/dbraw/zinc/04/57/71/167045771.db2.gz KHQLGJKBFAACGM-UHFFFAOYSA-N 0 0 225.719 2.797 50 0 BFAARN COC(=O)CCc1ccccc1Br ZINC000034724280 173567549 /nfs/dbraw/zinc/56/75/49/173567549.db2.gz NIULOVGPRAJIJM-UHFFFAOYSA-N 0 0 243.100 2.555 50 0 BFAARN CC(C)NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000012382577 167083492 /nfs/dbraw/zinc/08/34/92/167083492.db2.gz PWJCUJUTOKNHBK-VIFPVBQESA-N 0 0 241.718 2.632 50 0 BFAARN Brc1ccc(-c2cc[nH]n2)cc1 ZINC000004293887 166096067 /nfs/dbraw/zinc/09/60/67/166096067.db2.gz LXDGTEBHVOKDLE-UHFFFAOYSA-N 0 0 223.073 2.839 50 0 BFAARN Brc1ccc(-c2ccccn2)nc1 ZINC000028536181 166096372 /nfs/dbraw/zinc/09/63/72/166096372.db2.gz AWJPULCSDFBFDR-UHFFFAOYSA-N 0 0 235.084 2.906 50 0 BFAARN Brc1ccc(CN2CCC2)cc1 ZINC000096025003 166097122 /nfs/dbraw/zinc/09/71/22/166097122.db2.gz JLVSQPNCKCZXBK-UHFFFAOYSA-N 0 0 226.117 2.655 50 0 BFAARN Brc1ccc(Br)o1 ZINC000002556781 166097130 /nfs/dbraw/zinc/09/71/30/166097130.db2.gz LACYYWKMIJOHLU-UHFFFAOYSA-N 0 0 225.867 2.805 50 0 BFAARN Brc1cccc(-c2cccnc2)n1 ZINC000034087117 166100039 /nfs/dbraw/zinc/10/00/39/166100039.db2.gz LKCXTRCHSSUWJH-UHFFFAOYSA-N 0 0 235.084 2.906 50 0 BFAARN Brc1cccc2c1OCCC2 ZINC000082372104 166100794 /nfs/dbraw/zinc/10/07/94/166100794.db2.gz YJOORJDFGHETSS-UHFFFAOYSA-N 0 0 213.074 2.774 50 0 BFAARN Brc1c[nH]nc1C1CCCC1 ZINC000054079596 166104397 /nfs/dbraw/zinc/10/43/97/166104397.db2.gz TXVIOQGNPMZMMJ-UHFFFAOYSA-N 0 0 215.094 2.830 50 0 BFAARN Brc1ccccc1-c1csnn1 ZINC000000383875 166103146 /nfs/dbraw/zinc/10/31/46/166103146.db2.gz IUHKJGDHOYOXQM-UHFFFAOYSA-N 0 0 241.113 2.968 50 0 BFAARN Brc1ccoc1Br ZINC000002572476 166103157 /nfs/dbraw/zinc/10/31/57/166103157.db2.gz GKPGEBCMRMQOPF-UHFFFAOYSA-N 0 0 225.867 2.805 50 0 BFAARN Brc1ccncc1Br ZINC000000330777 166103609 /nfs/dbraw/zinc/10/36/09/166103609.db2.gz ZFZWZGANFCWADD-UHFFFAOYSA-N 0 0 236.894 2.607 50 0 BFAARN Brc1cnc(N2CCCC2)s1 ZINC000044116974 166104992 /nfs/dbraw/zinc/10/49/92/166104992.db2.gz ZKEGFBGVGXMOKL-UHFFFAOYSA-N 0 0 233.134 2.506 50 0 BFAARN Brc1csc(C2OCCO2)c1 ZINC000002529191 166105958 /nfs/dbraw/zinc/10/59/58/166105958.db2.gz GDNOSUAFGZBAOR-UHFFFAOYSA-N 0 0 235.102 2.556 50 0 BFAARN CCN(CC)C(=O)/C(C)=C/c1ccccc1 ZINC000006462666 169743840 /nfs/dbraw/zinc/74/38/40/169743840.db2.gz JPSZOUBPWNTIFL-VAWYXSNFSA-N 0 0 217.312 2.958 50 0 BFAARN C[Si](C)(C)c1cccc([Si](C)(C)C)c1F ZINC000169816116 410465535 /nfs/dbraw/zinc/46/55/35/410465535.db2.gz HCKIFFBGPMDSQZ-UHFFFAOYSA-N 0 0 240.470 2.916 50 0 BFAARN C(=C\c1ccccc1)\c1nc([C@@H]2CCOC2)no1 ZINC000098019204 166228619 /nfs/dbraw/zinc/22/86/19/166228619.db2.gz YJMHLHZCCOGPPI-ZHRWSRJISA-N 0 0 242.278 2.744 50 0 BFAARN CC(=O)c1cc(C(C)=O)c(N(C)N=O)cc1C ZINC000004752116 166443550 /nfs/dbraw/zinc/44/35/50/166443550.db2.gz IYUXIZRFARNZRZ-UHFFFAOYSA-N 0 0 234.255 2.518 50 0 BFAARN CC(=O)c1ccccc1-n1nc(C)cc1C ZINC000019871217 166480314 /nfs/dbraw/zinc/48/03/14/166480314.db2.gz HKPPYZWBFAQHSH-UHFFFAOYSA-N 0 0 214.268 2.692 50 0 BFAARN CC(=O)c1oc(-c2ccc(F)cc2)nc1C ZINC000077600062 166492083 /nfs/dbraw/zinc/49/20/83/166492083.db2.gz PLKOBBRWFQEHNQ-UHFFFAOYSA-N 0 0 219.215 2.992 50 0 BFAARN CC(C)(C)C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000081561047 166523759 /nfs/dbraw/zinc/52/37/59/166523759.db2.gz PCKDUVFFSDAJTO-GFCCVEGCSA-N 0 0 232.327 2.791 50 0 BFAARN CC(C)(C)OC(=O)Oc1cn2ccccc2n1 ZINC000095910879 166672294 /nfs/dbraw/zinc/67/22/94/166672294.db2.gz XUVXDFJAAQXUBH-UHFFFAOYSA-N 0 0 234.255 2.648 50 0 BFAARN CC(C)(C)OC(=O)c1ccc2[nH]cnc2c1 ZINC000035069819 166675365 /nfs/dbraw/zinc/67/53/65/166675365.db2.gz KRHMSTYLVGKOFQ-UHFFFAOYSA-N 0 0 218.256 2.518 50 0 BFAARN CC(C)C(=O)NC[C@H](C)Sc1ccccc1 ZINC000096431734 166721675 /nfs/dbraw/zinc/72/16/75/166721675.db2.gz NIMOLJZGOIRRQR-NSHDSACASA-N 0 0 237.368 2.939 50 0 BFAARN CC(C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000007214802 166769537 /nfs/dbraw/zinc/76/95/37/166769537.db2.gz NXOHMGSLFISOFE-GFCCVEGCSA-N 0 0 233.311 2.673 50 0 BFAARN CC(C)CCNC(=O)[C@H]1C[C@@H]1c1cccc(O)c1 ZINC000225412270 166853429 /nfs/dbraw/zinc/85/34/29/166853429.db2.gz RNOVFSPBBJLWIC-KGLIPLIRSA-N 0 0 247.338 2.658 50 0 BFAARN CC(C)CNC(=O)c1c[nH]nc1-c1cccs1 ZINC000072329435 167000457 /nfs/dbraw/zinc/00/04/57/167000457.db2.gz FKIDNJCJPLAPKS-UHFFFAOYSA-N 0 0 249.339 2.524 50 0 BFAARN CC(C)CNc1nc(Cl)cc(Cl)n1 ZINC000091365948 167018229 /nfs/dbraw/zinc/01/82/29/167018229.db2.gz SDAVFFVVXCQAOA-UHFFFAOYSA-N 0 0 220.103 2.851 50 0 BFAARN CC(C)NC(=O)N(C)Cc1ccccc1Cl ZINC000012920563 167066292 /nfs/dbraw/zinc/06/62/92/167066292.db2.gz CCEMYEQEWNJBCP-UHFFFAOYSA-N 0 0 240.734 2.890 50 0 BFAARN CC(C)NC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000038567315 167068792 /nfs/dbraw/zinc/06/87/92/167068792.db2.gz SENRZAURNKMSJK-ZDUSSCGKSA-N 0 0 232.327 2.594 50 0 BFAARN CC(C)NC(=O)N1CCc2sccc2[C@H]1C ZINC000000143323 167070815 /nfs/dbraw/zinc/07/08/15/167070815.db2.gz XPOMGKHWPJNPLH-SECBINFHSA-N 0 0 238.356 2.785 50 0 BFAARN CC(C)NC(=O)NCc1cccc(Cl)c1 ZINC000012972465 167076118 /nfs/dbraw/zinc/07/61/18/167076118.db2.gz QISDWODBUNOGCU-UHFFFAOYSA-N 0 0 226.707 2.548 50 0 BFAARN CC(C)NC(=O)c1cc(-c2ccccc2)ns1 ZINC000065233049 167085230 /nfs/dbraw/zinc/08/52/30/167085230.db2.gz KTIMSISZFCGNAF-UHFFFAOYSA-N 0 0 246.335 2.948 50 0 BFAARN CC(C)NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000000423582 167086043 /nfs/dbraw/zinc/08/60/43/167086043.db2.gz FXGMEEKDCODOTD-UHFFFAOYSA-N 0 0 248.257 2.619 50 0 BFAARN CC(C)NC(=O)c1cccnc1SC(F)F ZINC000069517305 167090721 /nfs/dbraw/zinc/09/07/21/167090721.db2.gz YVQHKWRPUBCNJL-UHFFFAOYSA-N 0 0 246.282 2.535 50 0 BFAARN CC(C)NC(=S)Nc1cccc2cnccc21 ZINC000008687744 167093618 /nfs/dbraw/zinc/09/36/18/167093618.db2.gz LOHFFGQIGJKDFX-UHFFFAOYSA-N 0 0 245.351 2.930 50 0 BFAARN CC(C)OP(=O)(CN(C)C)OC(C)C ZINC000022016507 167280212 /nfs/dbraw/zinc/28/02/12/167280212.db2.gz BJOKHSINDZNVFS-UHFFFAOYSA-N 0 0 223.253 2.549 50 0 BFAARN CC(C)Oc1cc(N)cc(Br)c1 ZINC000072296500 167286802 /nfs/dbraw/zinc/28/68/02/167286802.db2.gz HZLBTCHGFXWVAZ-UHFFFAOYSA-N 0 0 230.105 2.819 50 0 BFAARN CC(C)Oc1ccc(-c2cncn2C)cc1 ZINC000065380435 167288084 /nfs/dbraw/zinc/28/80/84/167288084.db2.gz CECHBCQGUFLGJF-UHFFFAOYSA-N 0 0 216.284 2.874 50 0 BFAARN CC(C)Oc1ccc(-c2ccncn2)cc1 ZINC000067727306 167288299 /nfs/dbraw/zinc/28/82/99/167288299.db2.gz SCXVXKCQVWOOGE-UHFFFAOYSA-N 0 0 214.268 2.931 50 0 BFAARN CC(C)Oc1ccc(CNC(=O)C(C)C)cc1 ZINC000045431029 167294227 /nfs/dbraw/zinc/29/42/27/167294227.db2.gz GHDJOGKFSWBVQX-UHFFFAOYSA-N 0 0 235.327 2.746 50 0 BFAARN CC(C)Oc1ccc(CSc2nc[nH]n2)cc1 ZINC000005686001 167294349 /nfs/dbraw/zinc/29/43/49/167294349.db2.gz FVNFJMWPDRTPBC-UHFFFAOYSA-N 0 0 249.339 2.884 50 0 BFAARN CC(C)Oc1ccc(NCc2ncc[nH]2)c(F)c1 ZINC000095448766 167297142 /nfs/dbraw/zinc/29/71/42/167297142.db2.gz YZMJLXXORFPMKV-UHFFFAOYSA-N 0 0 249.289 2.948 50 0 BFAARN CC(C)Oc1ccc(N[C@@H]2CCOC2)c(F)c1 ZINC000095978143 167297547 /nfs/dbraw/zinc/29/75/47/167297547.db2.gz HGSGZPGRQQIWJV-SNVBAGLBSA-N 0 0 239.290 2.814 50 0 BFAARN CC(C)Oc1ccc2nc(N)sc2c1 ZINC000020133674 167304869 /nfs/dbraw/zinc/30/48/69/167304869.db2.gz WFGYJPDSKYTVNR-UHFFFAOYSA-N 0 0 208.286 2.666 50 0 BFAARN CC(C)S(=O)(=O)c1cscc1Cl ZINC000000125139 167320538 /nfs/dbraw/zinc/32/05/38/167320538.db2.gz IOZZDGCOTAVBRK-UHFFFAOYSA-N 0 0 224.734 2.584 50 0 BFAARN CC(C)Sc1ccc(-c2nnc(N)o2)cc1 ZINC000034936072 167337200 /nfs/dbraw/zinc/33/72/00/167337200.db2.gz LRBSZOHCUQCPOK-UHFFFAOYSA-N 0 0 235.312 2.819 50 0 BFAARN CC(C)Sc1nnc(-c2cccnc2)o1 ZINC000044865814 167339256 /nfs/dbraw/zinc/33/92/56/167339256.db2.gz MXQGVCHFDAVGRV-UHFFFAOYSA-N 0 0 221.285 2.632 50 0 BFAARN CC(C)[C@@H](C)NC(=O)[C@H]1Cc2ccccc2S1 ZINC000022242082 167377983 /nfs/dbraw/zinc/37/79/83/167377983.db2.gz BAGQRSWIZIKLDN-ZWNOBZJWSA-N 0 0 249.379 2.864 50 0 BFAARN CC(C)c1ccccc1OCC(=O)N1CCCC1 ZINC000020550466 167642514 /nfs/dbraw/zinc/64/25/14/167642514.db2.gz ZUWVUOJTGJNEHS-UHFFFAOYSA-N 0 0 247.338 2.811 50 0 BFAARN CC(C)=CC(=O)NCCc1ccccc1C ZINC000045602127 411147484 /nfs/dbraw/zinc/14/74/84/411147484.db2.gz GINXXKAGALZYGP-UHFFFAOYSA-N 0 0 217.312 2.620 50 0 BFAARN CCCCNC(=O)N(Cc1cccnc1)C(C)C ZINC000048303137 411186814 /nfs/dbraw/zinc/18/68/14/411186814.db2.gz HKERSXJDXMOCQP-UHFFFAOYSA-N 0 0 249.358 2.802 50 0 BFAARN CO[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000048340803 411189238 /nfs/dbraw/zinc/18/92/38/411189238.db2.gz GVHSHIRARCYXJJ-QMMMGPOBSA-N 0 0 227.691 2.622 50 0 BFAARN CCCCNC(=O)Nc1ccnn1CCCC ZINC000049129365 411233109 /nfs/dbraw/zinc/23/31/09/411233109.db2.gz ULASQAGRBMFIES-UHFFFAOYSA-N 0 0 238.335 2.605 50 0 BFAARN c1ccc2nc(NCC[C@H]3CCCO3)cnc2c1 ZINC000047873306 411167625 /nfs/dbraw/zinc/16/76/25/411167625.db2.gz QQDUYKOMVSWWRI-LLVKDONJSA-N 0 0 243.310 2.611 50 0 BFAARN CC1(C)[C@@H]2CC[C@@]1(C)C(O)=C2C(=O)C(F)(F)F ZINC000100649230 168003611 /nfs/dbraw/zinc/00/36/11/168003611.db2.gz ISLOIHOAZDSEAJ-BUYFANAVSA-N 0 0 248.244 2.759 50 0 BFAARN CC1CN(Cc2ccccc2)CCC1=O ZINC000143126136 168088712 /nfs/dbraw/zinc/08/87/12/168088712.db2.gz HSDVWHREPWIIGV-UHFFFAOYSA-N 0 0 203.285 2.724 50 0 BFAARN CC1=CC[C@@H](C(N)=O)[C@H](c2ccc(F)cc2)C1 ZINC000004784970 168116641 /nfs/dbraw/zinc/11/66/41/168116641.db2.gz CRWYRQUYJZNOMC-OLZOCXBDSA-N 0 0 233.286 2.751 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NCC1CCC(C)CC1 ZINC000055488724 168155736 /nfs/dbraw/zinc/15/57/36/168155736.db2.gz SBONKHRQYTZJEG-RUJICJSRSA-N 0 0 209.333 2.585 50 0 BFAARN CC1CCC(NC(=O)/C=C\c2cccnc2)CC1 ZINC000215337456 168159858 /nfs/dbraw/zinc/15/98/58/168159858.db2.gz HOFMMAUNLXCSQX-TWGQIWQCSA-N 0 0 244.338 2.790 50 0 BFAARN CC1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000000053628 168169611 /nfs/dbraw/zinc/16/96/11/168169611.db2.gz NBMFQPOZZIGOFI-UHFFFAOYSA-N 0 0 230.311 2.748 50 0 BFAARN CC(C)c1cc(C(=O)N2CCC(C)CC2)no1 ZINC000013363729 168175535 /nfs/dbraw/zinc/17/55/35/168175535.db2.gz HLZOYEGIXXEYHV-UHFFFAOYSA-N 0 0 236.315 2.670 50 0 BFAARN CC1CCN([C@@H]2OC(=O)c3ccccc32)CC1 ZINC000027662427 168186076 /nfs/dbraw/zinc/18/60/76/168186076.db2.gz QNDAZYBZKBUSHE-CYBMUJFWSA-N 0 0 231.295 2.588 50 0 BFAARN CCC(=O)/N=c1/sc2cc(C)ccc2n1CC ZINC000100878827 168197002 /nfs/dbraw/zinc/19/70/02/168197002.db2.gz PJTFMKPQEQEVRC-BUHFOSPRSA-N 0 0 248.351 2.868 50 0 BFAARN CCC(=O)Cc1ccc(OC(C)C)cc1 ZINC000000506360 168210079 /nfs/dbraw/zinc/21/00/79/168210079.db2.gz APKOFQUONYDRRO-UHFFFAOYSA-N 0 0 206.285 2.995 50 0 BFAARN CCC(=O)N1CCc2ccc(N3CCCC3)cc21 ZINC000041120918 168225203 /nfs/dbraw/zinc/22/52/03/168225203.db2.gz QXTMPKRDBGRMSJ-UHFFFAOYSA-N 0 0 244.338 2.586 50 0 BFAARN CCC(=O)N1CCc2sccc2[C@@H]1C ZINC000032781380 168226169 /nfs/dbraw/zinc/22/61/69/168226169.db2.gz LLXRDMWLGMJRAA-QMMMGPOBSA-N 0 0 209.314 2.604 50 0 BFAARN CCC(=O)N1C[C@@H](C)O[C@@H](c2ccc(C)cc2)C1 ZINC000041422268 168226493 /nfs/dbraw/zinc/22/64/93/168226493.db2.gz SHUIKUPBACIPJJ-TZMCWYRMSA-N 0 0 247.338 2.693 50 0 BFAARN CCC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000041174394 168226568 /nfs/dbraw/zinc/22/65/68/168226568.db2.gz LWILGNIHNFUVRJ-CYBMUJFWSA-N 0 0 247.338 2.775 50 0 BFAARN CCC(=O)N1C[C@@H](c2ccc(C)cc2)O[C@@H](C)C1 ZINC000041422262 168227203 /nfs/dbraw/zinc/22/72/03/168227203.db2.gz SHUIKUPBACIPJJ-JSGCOSHPSA-N 0 0 247.338 2.693 50 0 BFAARN CCC(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000071847825 168230008 /nfs/dbraw/zinc/23/00/08/168230008.db2.gz CWBOYRHVHGFRTB-UHFFFAOYSA-N 0 0 240.372 2.509 50 0 BFAARN CCC(=O)NC[C@@H](CC)Oc1cccc(F)c1 ZINC000084561096 168230020 /nfs/dbraw/zinc/23/00/20/168230020.db2.gz DWEZQALHFLMFMA-LLVKDONJSA-N 0 0 239.290 2.509 50 0 BFAARN CCC(=O)NCc1ccc2cc(OC)ccc2c1 ZINC000009872261 168233329 /nfs/dbraw/zinc/23/33/29/168233329.db2.gz CYDXAOFJMCMNNZ-UHFFFAOYSA-N 0 0 243.306 2.875 50 0 BFAARN CCC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000060643002 168236285 /nfs/dbraw/zinc/23/62/85/168236285.db2.gz XFCFEJUVTXRENV-HNNXBMFYSA-N 0 0 240.306 2.697 50 0 BFAARN CCC(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000006699427 168236725 /nfs/dbraw/zinc/23/67/25/168236725.db2.gz KWHYUZMRRBAYGH-NSHDSACASA-N 0 0 205.301 2.891 50 0 BFAARN CCC(=O)N[C@H](CC)Cc1ccccc1 ZINC000000270694 168240114 /nfs/dbraw/zinc/24/01/14/168240114.db2.gz SHSUMUHTZMVKHB-GFCCVEGCSA-N 0 0 205.301 2.534 50 0 BFAARN CCC(=O)Nc1ccc(-c2nnc(CC)o2)cc1 ZINC000072304686 168242849 /nfs/dbraw/zinc/24/28/49/168242849.db2.gz BSSOKPMLTRNVBE-UHFFFAOYSA-N 0 0 245.282 2.648 50 0 BFAARN CCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000014834649 168243769 /nfs/dbraw/zinc/24/37/69/168243769.db2.gz RSKPUQTUFURXOD-UHFFFAOYSA-N 0 0 248.326 2.517 50 0 BFAARN CCC(=O)Nc1ccc(Br)cc1 ZINC000000397763 168243960 /nfs/dbraw/zinc/24/39/60/168243960.db2.gz OKCYFRFBRDYTRP-UHFFFAOYSA-N 0 0 228.089 2.798 50 0 BFAARN CCC(=O)Nc1cccc(NC(=O)CC)c1C ZINC000012847259 168245218 /nfs/dbraw/zinc/24/52/18/168245218.db2.gz BROBCILYFJZJEI-UHFFFAOYSA-N 0 0 234.299 2.692 50 0 BFAARN CCC(=O)Nc1cccc(NC(=O)C2CC2)c1C ZINC000012983944 168246138 /nfs/dbraw/zinc/24/61/38/168246138.db2.gz VXDAZOVIFGLNLG-UHFFFAOYSA-N 0 0 246.310 2.692 50 0 BFAARN CCC(=O)Nc1ccc2scnc2c1 ZINC000008737139 168246223 /nfs/dbraw/zinc/24/62/23/168246223.db2.gz WUGDREKDVSIYLB-UHFFFAOYSA-N 0 0 206.270 2.645 50 0 BFAARN CCC(=O)Nc1nnc(-c2ccc(C)c(C)c2)o1 ZINC000005372085 168248480 /nfs/dbraw/zinc/24/84/80/168248480.db2.gz BVLWVBNQSDUQMP-UHFFFAOYSA-N 0 0 245.282 2.702 50 0 BFAARN CCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000000311350 168248510 /nfs/dbraw/zinc/24/85/10/168248510.db2.gz RAONVLGICAYJJY-UHFFFAOYSA-N 0 0 239.344 2.934 50 0 BFAARN CCC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000005145511 168249145 /nfs/dbraw/zinc/24/91/45/168249145.db2.gz RKYQLQRNUGPQGS-UHFFFAOYSA-N 0 0 241.312 2.500 50 0 BFAARN CCC(=O)Oc1ccc(C(F)F)cc1 ZINC000077011896 168251538 /nfs/dbraw/zinc/25/15/38/168251538.db2.gz OBEJMWROBFNQIA-UHFFFAOYSA-N 0 0 200.184 2.940 50 0 BFAARN CCC(=O)c1ccc(OCc2nc(C)no2)cc1 ZINC000020253809 168257262 /nfs/dbraw/zinc/25/72/62/168257262.db2.gz WIBUUOHWJMKXCT-UHFFFAOYSA-N 0 0 246.266 2.550 50 0 BFAARN CCC(=O)n1nc(-c2ccccc2)cc1C ZINC000000387747 168258800 /nfs/dbraw/zinc/25/88/00/168258800.db2.gz NMCNZSHQSNIOJQ-UHFFFAOYSA-N 0 0 214.268 2.909 50 0 BFAARN CCC(C)(C)C(=O)NCc1ccc(F)cc1 ZINC000071415907 168265882 /nfs/dbraw/zinc/26/58/82/168265882.db2.gz WLBGIZTWUYMRDT-UHFFFAOYSA-N 0 0 223.291 2.878 50 0 BFAARN CCC(C)(C)NC(=O)Cc1ccccc1OC ZINC000000620392 168291576 /nfs/dbraw/zinc/29/15/76/168291576.db2.gz YOCOMTPKWODWGS-UHFFFAOYSA-N 0 0 235.327 2.543 50 0 BFAARN CCC(C)(C)NC(=O)COc1ccc(C)cc1 ZINC000042138004 168291833 /nfs/dbraw/zinc/29/18/33/168291833.db2.gz VVHONLVZDIVEIK-UHFFFAOYSA-N 0 0 235.327 2.679 50 0 BFAARN CCC(C)(C)NC(=O)c1cccc(OC)c1 ZINC000004702934 168297770 /nfs/dbraw/zinc/29/77/70/168297770.db2.gz PTUOULXIBUKGSG-UHFFFAOYSA-N 0 0 221.300 2.614 50 0 BFAARN O=C(c1ccco1)N1CCC2(CC2(F)F)CC1 ZINC000405131349 411419021 /nfs/dbraw/zinc/41/90/21/411419021.db2.gz QOXMEZKWOGTDLR-UHFFFAOYSA-N 0 0 241.237 2.541 50 0 BFAARN CCNC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000098014293 170074540 /nfs/dbraw/zinc/07/45/40/170074540.db2.gz SNMYLAKOJYWUJB-QWRGUYRKSA-N 0 0 236.315 2.782 50 0 BFAARN CCNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000098014292 170074747 /nfs/dbraw/zinc/07/47/47/170074747.db2.gz SNMYLAKOJYWUJB-GHMZBOCLSA-N 0 0 236.315 2.782 50 0 BFAARN CCNC(=O)NCCCCC(C)(C)C ZINC000071803868 170079762 /nfs/dbraw/zinc/07/97/62/170079762.db2.gz GXINLGJPODVTCV-UHFFFAOYSA-N 0 0 200.326 2.522 50 0 BFAARN CCNC(=O)NCc1cccc2ccccc21 ZINC000000398722 170081065 /nfs/dbraw/zinc/08/10/65/170081065.db2.gz BIQPBNPRWLFXLA-UHFFFAOYSA-N 0 0 228.295 2.659 50 0 BFAARN CCNC(=O)N[C@H](C)CCCC(C)C ZINC000057580756 170083038 /nfs/dbraw/zinc/08/30/38/170083038.db2.gz QTIVSPBTMSDGNE-SNVBAGLBSA-N 0 0 200.326 2.520 50 0 BFAARN CCNC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000043467077 170083071 /nfs/dbraw/zinc/08/30/71/170083071.db2.gz VEXLWOCOQMFZBM-MRVPVSSYSA-N 0 0 226.707 2.720 50 0 BFAARN CCNC(=O)Nc1c(C)cccc1Cl ZINC000000397990 170083539 /nfs/dbraw/zinc/08/35/39/170083539.db2.gz KRSIEZWWLUYRAO-UHFFFAOYSA-N 0 0 212.680 2.790 50 0 BFAARN CCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000044998537 170089778 /nfs/dbraw/zinc/08/97/78/170089778.db2.gz YCCQLILCCFVQGB-LLVKDONJSA-N 0 0 249.354 2.888 50 0 BFAARN CCNC(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000069371851 170092287 /nfs/dbraw/zinc/09/22/87/170092287.db2.gz ZZSBSWVJZZPPQC-AWEZNQCLSA-N 0 0 247.338 2.823 50 0 BFAARN CCNC(=O)c1ccc(Br)c(C)c1 ZINC000038536975 170100694 /nfs/dbraw/zinc/10/06/94/170100694.db2.gz PZCJWOZCVPXGOU-UHFFFAOYSA-N 0 0 242.116 2.507 50 0 BFAARN CCNC(=O)c1cc(-c2ccccc2)n(C)c1C ZINC000064551453 170100007 /nfs/dbraw/zinc/10/00/07/170100007.db2.gz WVUFONMBAYZEGM-UHFFFAOYSA-N 0 0 242.322 2.750 50 0 BFAARN CCNC(=O)c1ccc(-c2cccs2)nc1C ZINC000057913336 170101004 /nfs/dbraw/zinc/10/10/04/170101004.db2.gz PFBRPWWKMBGEIX-UHFFFAOYSA-N 0 0 246.335 2.868 50 0 BFAARN CCNC(=O)c1cccc(-c2ccc(N)cc2)c1 ZINC000074937781 170103567 /nfs/dbraw/zinc/10/35/67/170103567.db2.gz SXHRJNUFEJOBHB-UHFFFAOYSA-N 0 0 240.306 2.686 50 0 BFAARN CCNC(=O)c1csc(Nc2ccccc2)n1 ZINC000023136820 170104582 /nfs/dbraw/zinc/10/45/82/170104582.db2.gz MUKHZBBKVNCUFD-UHFFFAOYSA-N 0 0 247.323 2.636 50 0 BFAARN CCNC(=S)N1CCCC[C@@H]1c1cccnc1 ZINC000000240140 170104923 /nfs/dbraw/zinc/10/49/23/170104923.db2.gz QEMLEJSHYKWWAX-GFCCVEGCSA-N 0 0 249.383 2.503 50 0 biogenic BFAARN CCNC(=S)Nc1ccc(C)cc1C ZINC000000116452 170106145 /nfs/dbraw/zinc/10/61/45/170106145.db2.gz VBIYAZMBBFOQPO-UHFFFAOYSA-N 0 0 208.330 2.610 50 0 BFAARN CCNc1ccnc(N[C@H]2CC[C@@H]3CCC[C@@H]32)n1 ZINC000077538501 170175134 /nfs/dbraw/zinc/17/51/34/170175134.db2.gz AAYFVZVKHVSMQU-SRVKXCTJSA-N 0 0 246.358 2.899 50 0 BFAARN CCNc1[nH]c(=S)nc2ccccc21 ZINC000006649877 170176446 /nfs/dbraw/zinc/17/64/46/170176446.db2.gz LUTLRQRICULTRC-UHFFFAOYSA-N 0 0 205.286 2.724 50 0 BFAARN CCOC(=O)/C=C/c1cccc(OCC)c1 ZINC000002583608 170183334 /nfs/dbraw/zinc/18/33/34/170183334.db2.gz HCKOJKUUNSOANP-CMDGGOBGSA-N 0 0 220.268 2.662 50 0 BFAARN CCOC(=O)/C=C/c1ccccc1Cl ZINC000001624855 170183356 /nfs/dbraw/zinc/18/33/56/170183356.db2.gz ILTRCHMHGZQVGO-BQYQJAHWSA-N 0 0 210.660 2.916 50 0 BFAARN CCOC(=O)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000002750579 170183814 /nfs/dbraw/zinc/18/38/14/170183814.db2.gz BUEHJMSQHIMBCE-JTQLQIEISA-N 0 0 249.310 2.702 50 0 BFAARN CCOC(=O)C(=O)c1cc(C)c(Cl)c(C)c1 ZINC000043504371 170185115 /nfs/dbraw/zinc/18/51/15/170185115.db2.gz VDZZWHRHJYQGAD-UHFFFAOYSA-N 0 0 240.686 2.703 50 0 BFAARN CCOC(=O)C(C)(C)Oc1ccc2c(c1)CCC2 ZINC000001459481 170188402 /nfs/dbraw/zinc/18/84/02/170188402.db2.gz PXHVITAZTXFDNB-UHFFFAOYSA-N 0 0 248.322 2.896 50 0 BFAARN CCOC(=O)CCCCCCC(=O)CC ZINC000002379047 170198690 /nfs/dbraw/zinc/19/86/90/170198690.db2.gz PHTQADCCSVKUPH-UHFFFAOYSA-N 0 0 214.305 2.869 50 0 BFAARN CCOC(=O)CCCC(=O)c1cccc(C)c1 ZINC000002378878 170198748 /nfs/dbraw/zinc/19/87/48/170198748.db2.gz GKDGDPURKWHIRL-UHFFFAOYSA-N 0 0 234.295 2.911 50 0 BFAARN CCOC(=O)CCCC(=O)c1ccccc1F ZINC000002378986 170198916 /nfs/dbraw/zinc/19/89/16/170198916.db2.gz JWDJUKXKHBKNFO-UHFFFAOYSA-N 0 0 238.258 2.742 50 0 BFAARN CCOC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000002378848 170199057 /nfs/dbraw/zinc/19/90/57/170199057.db2.gz UXLMZKLDVOQALH-UHFFFAOYSA-N 0 0 234.295 2.829 50 0 BFAARN CCOC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000000080434 170228633 /nfs/dbraw/zinc/22/86/33/170228633.db2.gz BYHLSWXJCVEMBA-UHFFFAOYSA-N 0 0 242.702 2.899 50 0 BFAARN CCOC(=O)COc1ccc2ccccc2c1 ZINC000000122669 170229021 /nfs/dbraw/zinc/22/90/21/170229021.db2.gz MKYNTNDECGNSGX-UHFFFAOYSA-N 0 0 230.263 2.782 50 0 BFAARN CCOC(=O)CSc1cccc(Cl)c1 ZINC000054184952 170230169 /nfs/dbraw/zinc/23/01/69/170230169.db2.gz YHQFPGGXXUBCEI-UHFFFAOYSA-N 0 0 230.716 2.995 50 0 BFAARN CCOC(=O)Cc1ccccc1C(F)(F)F ZINC000002560321 170236433 /nfs/dbraw/zinc/23/64/33/170236433.db2.gz OWPVWCWCZGEPGF-UHFFFAOYSA-N 0 0 232.201 2.811 50 0 BFAARN CCOC(=O)Nc1cccc(OCC(F)F)c1 ZINC000097380058 170243829 /nfs/dbraw/zinc/24/38/29/170243829.db2.gz GMRJNDJEVJAIOW-UHFFFAOYSA-N 0 0 245.225 2.899 50 0 BFAARN CCOC(=O)Nc1oc2ccccc2c(=O)c1C ZINC000101455612 170244615 /nfs/dbraw/zinc/24/46/15/170244615.db2.gz NFVDDCUFERAWFA-UHFFFAOYSA-N 0 0 247.250 2.670 50 0 BFAARN CCOC(=O)[C@@H](c1ccccc1)N1CCCCC1 ZINC000063110794 170256330 /nfs/dbraw/zinc/25/63/30/170256330.db2.gz AGSKYKDXQOBAPX-CQSZACIVSA-N 0 0 247.338 2.777 50 0 BFAARN CCOC(=O)[C@@H]([C@@H](C)CC)n1cccc1 ZINC000040488292 170256499 /nfs/dbraw/zinc/25/64/99/170256499.db2.gz RGEPVMUUYVYHRJ-WDEREUQCSA-N 0 0 209.289 2.638 50 0 BFAARN CCOC(=O)[C@@H]1CCc2[nH]c3ccccc3c2C1 ZINC000005575355 170259157 /nfs/dbraw/zinc/25/91/57/170259157.db2.gz VRBGKURGKHUBLB-SNVBAGLBSA-N 0 0 243.306 2.836 50 0 BFAARN CCOC(=O)[C@H](C)SC1CCCC1 ZINC000041391367 170269308 /nfs/dbraw/zinc/26/93/08/170269308.db2.gz NNKIDVVNZRMIHF-QMMMGPOBSA-N 0 0 202.319 2.614 50 0 BFAARN CCOC(=O)[C@H](CC(C)C)n1cccc1 ZINC000006658163 170272184 /nfs/dbraw/zinc/27/21/84/170272184.db2.gz ZQQLFDUELNLZPT-NSHDSACASA-N 0 0 209.289 2.638 50 0 BFAARN CCOC(=O)[C@H](CC)SCc1cccnc1 ZINC000194543626 170272822 /nfs/dbraw/zinc/27/28/22/170272822.db2.gz MUVJHGBETUZUPR-NSHDSACASA-N 0 0 239.340 2.657 50 0 BFAARN CCOC(=O)[C@H](CC)n1nc(C)c(Cl)c1C ZINC000002732152 170272893 /nfs/dbraw/zinc/27/28/93/170272893.db2.gz RDBKXUMHEHBBHD-VIFPVBQESA-N 0 0 244.722 2.668 50 0 BFAARN CCOC(=O)[C@H]1CCc2[nH]c3ccccc3c2C1 ZINC000004982811 170282102 /nfs/dbraw/zinc/28/21/02/170282102.db2.gz VRBGKURGKHUBLB-JTQLQIEISA-N 0 0 243.306 2.836 50 0 BFAARN CCOC(=O)C1=C(O)CC[C@H](c2ccccc2)C1 ZINC000038665665 170282107 /nfs/dbraw/zinc/28/21/07/170282107.db2.gz JZNYKTFYDHOKCD-STQMWFEESA-N 0 0 246.306 2.703 50 0 BFAARN CCOC(=O)c1c(N)scc1-c1ccco1 ZINC000000160150 170287398 /nfs/dbraw/zinc/28/73/98/170287398.db2.gz JMLBJOYPNPOBKV-UHFFFAOYSA-N 0 0 237.280 2.767 50 0 BFAARN CCOC(=O)c1c(C)cc(Cl)nc1C ZINC000095830103 170287483 /nfs/dbraw/zinc/28/74/83/170287483.db2.gz KSAOHRAUUCSNRU-UHFFFAOYSA-N 0 0 213.664 2.529 50 0 BFAARN CCOC(=O)c1c(C)onc1-c1ccc(F)cc1 ZINC000019616230 170287801 /nfs/dbraw/zinc/28/78/01/170287801.db2.gz QQZTUBJEZZHCKF-UHFFFAOYSA-N 0 0 249.241 2.966 50 0 BFAARN CCOC(=O)c1c(N)sc2c1C[C@H](C)CC2 ZINC000000267466 170289121 /nfs/dbraw/zinc/28/91/21/170289121.db2.gz USOZAPSHCJNFRA-SSDOTTSWSA-N 0 0 239.340 2.632 50 0 BFAARN CCOC(=O)c1c(OCC)cccc1OCC ZINC000002581135 170289213 /nfs/dbraw/zinc/28/92/13/170289213.db2.gz QMVQTFWOHMQDQM-UHFFFAOYSA-N 0 0 238.283 2.661 50 0 BFAARN CCOC(=O)c1cc(-c2ccc(C)cc2)on1 ZINC000026547653 170289737 /nfs/dbraw/zinc/28/97/37/170289737.db2.gz XPIUEGYFYXHZBH-UHFFFAOYSA-N 0 0 231.251 2.827 50 0 BFAARN CCOC(=O)c1c[nH]cc1-c1ccccc1 ZINC000002519461 170289890 /nfs/dbraw/zinc/28/98/90/170289890.db2.gz VNZGRYAVCWGZCT-UHFFFAOYSA-N 0 0 215.252 2.858 50 0 BFAARN CCOC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000095875835 170289981 /nfs/dbraw/zinc/28/99/81/170289981.db2.gz ZHFCMOOUQWYSST-UHFFFAOYSA-N 0 0 244.294 2.870 50 0 BFAARN CCOC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000000387837 170290301 /nfs/dbraw/zinc/29/03/01/170290301.db2.gz VGQLKLIHKUWTGS-UHFFFAOYSA-N 0 0 230.267 2.562 50 0 BFAARN CCOC(=O)c1cc(-c2ccccc2)c[nH]1 ZINC000095642129 170291189 /nfs/dbraw/zinc/29/11/89/170291189.db2.gz LZIPFRQBFFKOTK-UHFFFAOYSA-N 0 0 215.252 2.858 50 0 BFAARN CCOC(=O)c1cc(C)nn1-c1ccc(C)cc1 ZINC000097756633 170291425 /nfs/dbraw/zinc/29/14/25/170291425.db2.gz LFNKYWNWXYXRKZ-UHFFFAOYSA-N 0 0 244.294 2.666 50 0 BFAARN CCOC(=O)c1cc2ccsc2c(O)c1 ZINC000090470638 170293101 /nfs/dbraw/zinc/29/31/01/170293101.db2.gz VYOHBZNTQBTZPN-UHFFFAOYSA-N 0 0 222.265 2.784 50 0 BFAARN CCOC(=O)c1cc2cccc(C)c2[nH]1 ZINC000001017818 170293692 /nfs/dbraw/zinc/29/36/92/170293692.db2.gz OQDDMWUDWUIMKB-UHFFFAOYSA-N 0 0 203.241 2.653 50 0 BFAARN CCOC(=O)c1ccc(Br)cc1F ZINC000035199105 170294412 /nfs/dbraw/zinc/29/44/12/170294412.db2.gz MVDINIAYLXTBKB-UHFFFAOYSA-N 0 0 247.063 2.765 50 0 BFAARN CCOC(=O)c1ccc(NC(=O)[C@H](C)CC)cc1 ZINC000000373307 170296074 /nfs/dbraw/zinc/29/60/74/170296074.db2.gz BELVVCQNRFNPHZ-SNVBAGLBSA-N 0 0 249.310 2.848 50 0 BFAARN CCOC(=O)c1ccc(NCC(F)(F)F)cc1 ZINC000040354859 170296452 /nfs/dbraw/zinc/29/64/52/170296452.db2.gz DOVWWSYGBWFLQJ-UHFFFAOYSA-N 0 0 247.216 2.838 50 0 BFAARN CCOC(=O)c1ccc2[nH]cc(C)c2c1 ZINC000039256311 170297819 /nfs/dbraw/zinc/29/78/19/170297819.db2.gz OYOSECHLHOABFT-UHFFFAOYSA-N 0 0 203.241 2.653 50 0 BFAARN CCOC(=O)c1ccc2nc(CC)oc2c1 ZINC000095215831 170298495 /nfs/dbraw/zinc/29/84/95/170298495.db2.gz YLQWLWMRZGHQGR-UHFFFAOYSA-N 0 0 219.240 2.567 50 0 BFAARN CCOC(=O)c1cccc(NC(=O)[C@@H](C)CC)c1 ZINC000000365437 170298883 /nfs/dbraw/zinc/29/88/83/170298883.db2.gz AOGJJAOLPJRMKT-JTQLQIEISA-N 0 0 249.310 2.848 50 0 BFAARN CCOC(=O)c1ccccc1-c1ccccn1 ZINC000034085890 170299604 /nfs/dbraw/zinc/29/96/04/170299604.db2.gz SYTSMWKUYQQFPH-UHFFFAOYSA-N 0 0 227.263 2.925 50 0 BFAARN CCOC(=O)c1cnc(-c2cccc(C)c2)nc1 ZINC000025336323 170301552 /nfs/dbraw/zinc/30/15/52/170301552.db2.gz JNPNGYQLLZTRIT-UHFFFAOYSA-N 0 0 242.278 2.629 50 0 BFAARN CCOC(=O)c1n[nH]c(-c2ccc(C)cc2)c1C ZINC000000387881 170305750 /nfs/dbraw/zinc/30/57/50/170305750.db2.gz PJQNJPGHKKABKJ-UHFFFAOYSA-N 0 0 244.294 2.870 50 0 BFAARN CCOC(=O)c1nc(-c2ccccc2)sc1N ZINC000034077868 170305828 /nfs/dbraw/zinc/30/58/28/170305828.db2.gz NTACPCDBVTXTTE-UHFFFAOYSA-N 0 0 248.307 2.569 50 0 BFAARN CCOC(=O)c1occ(Cl)c1Cl ZINC000001703123 170310504 /nfs/dbraw/zinc/31/05/04/170310504.db2.gz ATIVUHGBLWEVSL-UHFFFAOYSA-N 0 0 209.028 2.763 50 0 BFAARN CCOC(=O)n1ccc2ccc(Cl)nc21 ZINC000043220664 170311298 /nfs/dbraw/zinc/31/12/98/170311298.db2.gz WWOGRMWUPOAZIT-UHFFFAOYSA-N 0 0 224.647 2.694 50 0 BFAARN CCOC(CCOc1ccccc1)OCC ZINC000000399614 170314727 /nfs/dbraw/zinc/31/47/27/170314727.db2.gz NZCOTSBKZQBTGU-UHFFFAOYSA-N 0 0 224.300 2.855 50 0 BFAARN CCOCC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000070252450 170345454 /nfs/dbraw/zinc/34/54/54/170345454.db2.gz FAYFSQRHGOJFDQ-ZETCQYMHSA-N 0 0 247.747 2.615 50 0 BFAARN CCOCCCNC(=O)[C@@H](CC)c1ccccc1 ZINC000002729987 170377828 /nfs/dbraw/zinc/37/78/28/170377828.db2.gz RNNXMLCPTQZDCP-AWEZNQCLSA-N 0 0 249.354 2.723 50 0 BFAARN CCOCCCNC(=O)Nc1ccc(C)cc1 ZINC000004741262 170377993 /nfs/dbraw/zinc/37/79/93/170377993.db2.gz DZGJQJUODHYPJR-UHFFFAOYSA-N 0 0 236.315 2.543 50 0 BFAARN CCOCN1c2cccc3cccc(c23)C1=O ZINC000001811354 170429635 /nfs/dbraw/zinc/42/96/35/170429635.db2.gz NDCSYAWFNJMLRY-UHFFFAOYSA-N 0 0 227.263 2.794 50 0 BFAARN CCOc1ccc(/C=C\C(=O)N2CCCC2)cc1 ZINC000095938647 170534958 /nfs/dbraw/zinc/53/49/58/170534958.db2.gz RZPYTOWHQDKZKO-YFHOEESVSA-N 0 0 245.322 2.721 50 0 BFAARN CCOc1ccc(C(=O)N2CCC[C@H](C)C2)cc1 ZINC000000029963 170537015 /nfs/dbraw/zinc/53/70/15/170537015.db2.gz XJNLLSORCZJKTE-LBPRGKRZSA-N 0 0 247.338 2.957 50 0 BFAARN CCOc1ccc2nc(Cl)c(CO)cc2c1 ZINC000000421641 170570733 /nfs/dbraw/zinc/57/07/33/170570733.db2.gz RTHYLIJSULORHP-UHFFFAOYSA-N 0 0 237.686 2.779 50 0 BFAARN CCOc1cccc(=O)c2c(C)[nH]c(C)c21 ZINC000000297696 170572454 /nfs/dbraw/zinc/57/24/54/170572454.db2.gz CPWPSLFCBWJPTL-UHFFFAOYSA-N 0 0 217.268 2.544 50 0 biogenic BFAARN CCOc1cccc(C(=O)n2nc(C)cc2C)c1 ZINC000006690902 170572845 /nfs/dbraw/zinc/57/28/45/170572845.db2.gz AETSUVVTMNCVRY-UHFFFAOYSA-N 0 0 244.294 2.587 50 0 BFAARN CCOc1ccccc1I ZINC000001699886 170593513 /nfs/dbraw/zinc/59/35/13/170593513.db2.gz JUJREUXKABNEFA-UHFFFAOYSA-N 0 0 248.063 2.690 50 0 BFAARN CCOc1ccccc1C(=O)Nc1ccncc1 ZINC000012538971 170591158 /nfs/dbraw/zinc/59/11/58/170591158.db2.gz IKXUGBZZPLMZHT-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN CCS(=O)(=O)Nc1cccc2ccccc21 ZINC000000363860 170621521 /nfs/dbraw/zinc/62/15/21/170621521.db2.gz FJJSCXZEHPNMBH-UHFFFAOYSA-N 0 0 235.308 2.601 50 0 BFAARN CCSCC(=O)N(CC(C)C)C(C)C ZINC000095435014 170625410 /nfs/dbraw/zinc/62/54/10/170625410.db2.gz ACVOJUQNIUVPFT-UHFFFAOYSA-N 0 0 217.378 2.633 50 0 BFAARN CCSCC(=O)Nc1ccc(C)cc1 ZINC000002866590 170626178 /nfs/dbraw/zinc/62/61/78/170626178.db2.gz UYQXWTNGIKCPFA-UHFFFAOYSA-N 0 0 209.314 2.687 50 0 BFAARN CC[C@@H](C(=O)Nc1nncs1)c1ccccc1 ZINC000004680202 170668928 /nfs/dbraw/zinc/66/89/28/170668928.db2.gz GVJODQHVMKKSFK-SNVBAGLBSA-N 0 0 247.323 2.670 50 0 BFAARN CC[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000005593197 170679281 /nfs/dbraw/zinc/67/92/81/170679281.db2.gz BFCOYJRKVRCWMC-SNVBAGLBSA-N 0 0 203.285 2.622 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000058264739 170683682 /nfs/dbraw/zinc/68/36/82/170683682.db2.gz PKKREJRESFEXFB-LLVKDONJSA-N 0 0 247.342 2.666 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1ccc(OC)cc1 ZINC000012921795 170744134 /nfs/dbraw/zinc/74/41/34/170744134.db2.gz ZYTJGOKHNZZSDI-SECBINFHSA-N 0 0 222.288 2.615 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1ccccc1N(C)C ZINC000040526929 170744336 /nfs/dbraw/zinc/74/43/36/170744336.db2.gz UTROHYQTHORUKE-SNVBAGLBSA-N 0 0 235.331 2.673 50 0 BFAARN CC[C@@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC000005467713 170748008 /nfs/dbraw/zinc/74/80/08/170748008.db2.gz JDKBCQVNEDPWEJ-LLVKDONJSA-N 0 0 205.301 2.832 50 0 BFAARN CC[C@@H](C)Nc1ncnc2sccc21 ZINC000000116000 170761187 /nfs/dbraw/zinc/76/11/87/170761187.db2.gz ARMNWWVIAVOYNY-SSDOTTSWSA-N 0 0 207.302 2.902 50 0 BFAARN CC[C@@H]1C[N@H+](CC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000252536136 171077239 /nfs/dbraw/zinc/07/72/39/171077239.db2.gz HQJYPIKIQDVROW-TZMCWYRMSA-N 0 0 247.338 2.587 50 0 BFAARN CC[C@@H]1CSc2nc3ccsc3c(=O)n21 ZINC000000117213 171113968 /nfs/dbraw/zinc/11/39/68/171113968.db2.gz YIBHXNKOPNOJLD-ZCFIWIBFSA-N 0 0 238.337 2.515 50 0 BFAARN CC[C@@](O)(c1ccccc1)c1ccccc1N ZINC000000137321 171194713 /nfs/dbraw/zinc/19/47/13/171194713.db2.gz GVJJQNPMSTWQJJ-OAHLLOKOSA-N 0 0 227.307 2.915 50 0 BFAARN CC[C@@](NC=O)(c1ccc(F)cc1)C(C)C ZINC000044124830 171194994 /nfs/dbraw/zinc/19/49/94/171194994.db2.gz NDQGQPTTZXQRJE-ZDUSSCGKSA-N 0 0 223.291 2.833 50 0 BFAARN CC[C@@]1(C)N=C(c2ccccc2)C(=S)N1 ZINC000004883294 171207774 /nfs/dbraw/zinc/20/77/74/171207774.db2.gz FMJDVBOKBKFVDW-LBPRGKRZSA-N 0 0 218.325 2.533 50 0 BFAARN CC[C@H](C(=O)Nc1cnoc1)c1ccccc1 ZINC000075170827 171234883 /nfs/dbraw/zinc/23/48/83/171234883.db2.gz AJMJTLNRHZLHCZ-LBPRGKRZSA-N 0 0 230.267 2.807 50 0 BFAARN CC[C@H](C)C(=O)NCCc1ccccc1C ZINC000055292680 171251319 /nfs/dbraw/zinc/25/13/19/171251319.db2.gz NZEJTUYSEXHQHD-NSHDSACASA-N 0 0 219.328 2.700 50 0 BFAARN CC[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000005665306 171253752 /nfs/dbraw/zinc/25/37/52/171253752.db2.gz VOZIYZAFDNZVQF-WDEREUQCSA-N 0 0 205.301 2.910 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000000365297 171255323 /nfs/dbraw/zinc/25/53/23/171255323.db2.gz IYKKYOYUJUQWGX-VIFPVBQESA-N 0 0 234.299 2.630 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc2c(c1)CCO2 ZINC000027126512 171255927 /nfs/dbraw/zinc/25/59/27/171255927.db2.gz OFTIMOCTHJEYTR-VIFPVBQESA-N 0 0 219.284 2.606 50 0 BFAARN CC[C@H](C)NC(=O)CCOc1ccccc1F ZINC000046463897 171324070 /nfs/dbraw/zinc/32/40/70/171324070.db2.gz WDXQUCCEZGBJQJ-JTQLQIEISA-N 0 0 239.290 2.509 50 0 BFAARN CC[C@H](C)NC(=O)COc1cccc(C)c1C ZINC000000138265 171327293 /nfs/dbraw/zinc/32/72/93/171327293.db2.gz ATDUXDPQGKIMNI-NSHDSACASA-N 0 0 235.327 2.597 50 0 BFAARN CC[C@H](C)NC(=O)Nc1ccc(C)cc1 ZINC000005599263 171331512 /nfs/dbraw/zinc/33/15/12/171331512.db2.gz BNCXYBFZMPJUFJ-JTQLQIEISA-N 0 0 206.289 2.915 50 0 BFAARN CC[C@H](C)NC(=O)c1cc(-c2ccccc2)on1 ZINC000000815043 171336368 /nfs/dbraw/zinc/33/63/68/171336368.db2.gz LDNDXBBSMABXOQ-JTQLQIEISA-N 0 0 244.294 2.870 50 0 BFAARN CC[C@H](C)NC(=O)c1ccc(Cl)s1 ZINC000012881484 171336983 /nfs/dbraw/zinc/33/69/83/171336983.db2.gz LSPXAQVEWZZJNT-LURJTMIESA-N 0 0 217.721 2.930 50 0 BFAARN CC[C@H](C)NC(=O)c1ccc(OC(F)F)cc1 ZINC000013007728 171337005 /nfs/dbraw/zinc/33/70/05/171337005.db2.gz MLXKURBUTDWZOF-QMMMGPOBSA-N 0 0 243.253 2.816 50 0 BFAARN CC[C@H](C)NC(=O)c1ccc2c(ccn2C)c1 ZINC000064551699 171337086 /nfs/dbraw/zinc/33/70/86/171337086.db2.gz NQYSUDGFENGFSK-JTQLQIEISA-N 0 0 230.311 2.707 50 0 BFAARN CC[C@H](C)NC(=O)c1n[nH]c2c1CCCCCC2 ZINC000085951708 171338280 /nfs/dbraw/zinc/33/82/80/171338280.db2.gz CKSPMVOYVWTZSQ-JTQLQIEISA-N 0 0 249.358 2.597 50 0 BFAARN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000002382575 171358384 /nfs/dbraw/zinc/35/83/84/171358384.db2.gz UMCNRCSUWIPPOC-AAEUAGOBSA-N 0 0 235.327 2.618 50 0 BFAARN CC[C@H](c1ccccc1)[S@@](=O)CCCOC ZINC000095411032 171599571 /nfs/dbraw/zinc/59/95/71/171599571.db2.gz LPUAGHXCLJHSTB-CZUORRHYSA-N 0 0 240.368 2.923 50 0 BFAARN CCc1c(C)c2ccc(OC(C)=O)cc2oc1=O ZINC000000518463 171740237 /nfs/dbraw/zinc/74/02/37/171740237.db2.gz LAWDEVOZKAFFJS-UHFFFAOYSA-N 0 0 246.262 2.589 50 0 BFAARN CCc1ccc(C(=O)NC(C2CC2)C2CC2)o1 ZINC000025093683 171785314 /nfs/dbraw/zinc/78/53/14/171785314.db2.gz HCFLUTDXLLVJTR-UHFFFAOYSA-N 0 0 233.311 2.760 50 0 BFAARN CCc1ccc(C(=O)NCc2cccs2)o1 ZINC000024845453 171786081 /nfs/dbraw/zinc/78/60/81/171786081.db2.gz AXXXKLHGVUMYKI-UHFFFAOYSA-N 0 0 235.308 2.834 50 0 BFAARN CCc1ccc(C(=O)Nc2cc(C)on2)cc1 ZINC000008383011 171787253 /nfs/dbraw/zinc/78/72/53/171787253.db2.gz LVGWLEBMSRXQPG-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN CCc1cccc(NC(=O)N2CCCC2)c1 ZINC000040070052 171859655 /nfs/dbraw/zinc/85/96/55/171859655.db2.gz RYHYAYLHMIVYSG-UHFFFAOYSA-N 0 0 218.300 2.877 50 0 BFAARN CCc1ccccc1NCc1cncn1C ZINC000075877600 171888927 /nfs/dbraw/zinc/88/89/27/171888927.db2.gz IVSLJOUIYHHYIX-UHFFFAOYSA-N 0 0 215.300 2.595 50 0 BFAARN CCc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000005093174 172015334 /nfs/dbraw/zinc/01/53/34/172015334.db2.gz LAHVAYPJHBIIKN-ZETCQYMHSA-N 0 0 248.351 2.672 50 0 BFAARN CCC1N=NC(=S)N1c1cc(C)cc(C)c1 ZINC000006395425 172062465 /nfs/dbraw/zinc/06/24/65/172062465.db2.gz UUGMHMCEUHMWEM-UHFFFAOYSA-N 0 0 233.340 2.735 50 0 BFAARN CCc1noc(CN2c3ccccc3C[C@@H]2C)n1 ZINC000058311853 172084977 /nfs/dbraw/zinc/08/49/77/172084977.db2.gz WUESYMDBKGWEKW-JTQLQIEISA-N 0 0 243.310 2.583 50 0 BFAARN CCc1noc([C@@H](C)N(C)Cc2ccoc2C)n1 ZINC000055082777 172088517 /nfs/dbraw/zinc/08/85/17/172088517.db2.gz XJMJNKRMCCSBMN-SECBINFHSA-N 0 0 249.314 2.726 50 0 BFAARN CCc1nsc(N2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000089295487 172104950 /nfs/dbraw/zinc/10/49/50/172104950.db2.gz LCFVFULALCUVCU-AOOOYVTPSA-N 0 0 235.356 2.503 50 0 BFAARN CCn1c(-c2ccccc2F)n[nH]c1=S ZINC000004723716 172130309 /nfs/dbraw/zinc/13/03/09/172130309.db2.gz CVZSKGRWKHCTNP-UHFFFAOYSA-N 0 0 223.276 2.767 50 0 BFAARN CCn1c(C)cc(-c2csc(N)n2)c1C ZINC000004973360 172134588 /nfs/dbraw/zinc/13/45/88/172134588.db2.gz WZPVRKLXVPDCRB-UHFFFAOYSA-N 0 0 221.329 2.831 50 0 BFAARN CCN1C(=S)N=NC1c1cc2ccccc2o1 ZINC000009095745 172147671 /nfs/dbraw/zinc/14/76/71/172147671.db2.gz NEMSSQBVXXYPOR-UHFFFAOYSA-N 0 0 245.307 3.000 50 0 BFAARN CCn1c2ccccc2c2ccc(N)nc21 ZINC000020111634 172149160 /nfs/dbraw/zinc/14/91/60/172149160.db2.gz IDQOWAKZCFHDSK-UHFFFAOYSA-N 0 0 211.268 2.792 50 0 biogenic BFAARN CCn1cc(-n2cnc3ccccc32)c(C)n1 ZINC000065396266 172150200 /nfs/dbraw/zinc/15/02/00/172150200.db2.gz CRSVSCSDUYXUKR-UHFFFAOYSA-N 0 0 226.283 2.550 50 0 BFAARN CCn1ccc(NC(=O)c2cc(C)cc(C)c2)n1 ZINC000064555776 172200936 /nfs/dbraw/zinc/20/09/36/172200936.db2.gz HBANBKRHHUEDET-UHFFFAOYSA-N 0 0 243.310 2.772 50 0 BFAARN CCn1ccnc1CN(C)Cc1sccc1C ZINC000065380558 172218082 /nfs/dbraw/zinc/21/80/82/172218082.db2.gz KXNBGNDEDXMMER-UHFFFAOYSA-N 0 0 249.383 2.905 50 0 BFAARN CCn1nc(-c2ccccc2)c(Cl)cc1=O ZINC000001383875 172241404 /nfs/dbraw/zinc/24/14/04/172241404.db2.gz WOLCVSLROQOKKW-UHFFFAOYSA-N 0 0 234.686 2.584 50 0 BFAARN CN(C(=O)C1CC1)[C@@H]1CCc2ccccc21 ZINC000032905276 172298411 /nfs/dbraw/zinc/29/84/11/172298411.db2.gz GCZXKXJDMTZRSR-CYBMUJFWSA-N 0 0 215.296 2.542 50 0 BFAARN CN(C(=O)C1CCCC1)c1ccccc1 ZINC000033019584 172299902 /nfs/dbraw/zinc/29/99/02/172299902.db2.gz ZWDWLTXBPOKWNI-UHFFFAOYSA-N 0 0 203.285 2.840 50 0 BFAARN CN(C(=O)NC[C@@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000096406269 172320168 /nfs/dbraw/zinc/32/01/68/172320168.db2.gz JVOYSBMXQWTRLV-GXTWGEPZSA-N 0 0 244.338 2.594 50 0 BFAARN CN(C(=O)OC(C)(C)C)c1ccccc1N ZINC000002547920 172324855 /nfs/dbraw/zinc/32/48/55/172324855.db2.gz QWLGWHNBBXMGRY-UHFFFAOYSA-N 0 0 222.288 2.640 50 0 BFAARN CN(C(=O)OCC(F)(F)F)C1CCCCC1 ZINC000106002735 172325231 /nfs/dbraw/zinc/32/52/31/172325231.db2.gz KLOWEDREXXZHBX-UHFFFAOYSA-N 0 0 239.237 2.950 50 0 BFAARN CN(C(=O)c1cccc(O)c1)C1CCCCC1 ZINC000019839326 172342476 /nfs/dbraw/zinc/34/24/76/172342476.db2.gz VDDMBZPZLZRQAM-UHFFFAOYSA-N 0 0 233.311 2.797 50 0 BFAARN CN(C)C(=O)C(c1ccccc1)c1ccccc1 ZINC000000155224 172354297 /nfs/dbraw/zinc/35/42/97/172354297.db2.gz QAHFOPIILNICLA-UHFFFAOYSA-N 0 0 239.318 2.907 50 0 in-vitro BFAARN CN(C)C(=O)CCc1ccc2ccccc2c1 ZINC000054146699 172361141 /nfs/dbraw/zinc/36/11/41/172361141.db2.gz GRLIEFQKACFUSY-UHFFFAOYSA-N 0 0 227.307 2.861 50 0 BFAARN CN(C)C(=O)Nc1cccc2ccccc21 ZINC000000395035 172382760 /nfs/dbraw/zinc/38/27/60/172382760.db2.gz OUFIYSOVKBPIAU-UHFFFAOYSA-N 0 0 214.268 2.933 50 0 BFAARN CN(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000020117255 172387115 /nfs/dbraw/zinc/38/71/15/172387115.db2.gz SPTXFOJLTSNLJY-UHFFFAOYSA-N 0 0 218.083 2.695 50 0 BFAARN CN(C)C(=O)c1cc(F)c2ccccc2c1 ZINC000336381190 172388267 /nfs/dbraw/zinc/38/82/67/172388267.db2.gz AGZXSNNBDJLTGQ-UHFFFAOYSA-N 0 0 217.243 2.681 50 0 BFAARN CN(C)C(=O)c1cc2sc(Cl)cc2n1C ZINC000064551741 172388620 /nfs/dbraw/zinc/38/86/20/172388620.db2.gz GGIICDPCEDYWDL-UHFFFAOYSA-N 0 0 242.731 2.595 50 0 BFAARN CN(C)C(=O)c1cc2cc(F)ccc2s1 ZINC000012904546 172388995 /nfs/dbraw/zinc/38/89/95/172388995.db2.gz UMCGCIVYFVKRMN-UHFFFAOYSA-N 0 0 223.272 2.742 50 0 BFAARN CN(C)C(=S)Nc1nc2ccccc2s1 ZINC000013518765 172393656 /nfs/dbraw/zinc/39/36/56/172393656.db2.gz SHKIAKVYCNVNHP-UHFFFAOYSA-N 0 0 237.353 2.555 50 0 BFAARN CN(C)C(OCC(C)(C)C)OCC(C)(C)C ZINC000025720962 172397656 /nfs/dbraw/zinc/39/76/56/172397656.db2.gz KEXFRBIOHPDZQM-UHFFFAOYSA-N 0 0 231.380 2.957 50 0 BFAARN CN1C(=O)/C(=C/c2ccco2)c2ccccc21 ZINC000033530986 172958518 /nfs/dbraw/zinc/95/85/18/172958518.db2.gz UIXNBOJLZKFUBU-FMIVXFBMSA-N 0 0 225.247 2.797 50 0 BFAARN CN1CCCCc2c3ccccc3[nH]c2C1=O ZINC000000185843 173010407 /nfs/dbraw/zinc/01/04/07/173010407.db2.gz TVIFHSHOYJWNFW-UHFFFAOYSA-N 0 0 228.295 2.576 50 0 BFAARN CN1CCCN(C(=O)C2CCC2)c2ccccc21 ZINC000078150549 173011929 /nfs/dbraw/zinc/01/19/29/173011929.db2.gz OQVFKJCQCYRYMI-UHFFFAOYSA-N 0 0 244.338 2.660 50 0 BFAARN CN1CC[C@@H](Nc2ccc(C(C)(C)C)cc2)C1=O ZINC000071183400 173126302 /nfs/dbraw/zinc/12/63/02/173126302.db2.gz LKRWIZUGKMASIK-CYBMUJFWSA-N 0 0 246.354 2.627 50 0 BFAARN CN1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 ZINC000254815739 173204734 /nfs/dbraw/zinc/20/47/34/173204734.db2.gz DAIVVDAWQFQQDF-NHYWBVRUSA-N 0 0 241.290 2.767 50 0 BFAARN CN1c2ccccc2N(C)C1c1ccc(O)cc1 ZINC000000266382 173208010 /nfs/dbraw/zinc/20/80/10/173208010.db2.gz VGALPIMTLSXPJH-UHFFFAOYSA-N 0 0 240.306 2.977 50 0 BFAARN CNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000012480053 173222701 /nfs/dbraw/zinc/22/27/01/173222701.db2.gz JUFKSRDPLLSVQS-AMZBWDOQSA-N 0 0 221.344 2.729 50 0 BFAARN CNC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000009256749 173263569 /nfs/dbraw/zinc/26/35/69/173263569.db2.gz VBEZCQRTOBVDAN-UHFFFAOYSA-N 0 0 229.279 2.625 50 0 BFAARN CNC(=O)Oc1cc(C)c(Cl)cc1C ZINC000071774123 173293335 /nfs/dbraw/zinc/29/33/35/173293335.db2.gz RNLUYLNMAJFNNW-UHFFFAOYSA-N 0 0 213.664 2.675 50 0 BFAARN CNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000012027745 173295906 /nfs/dbraw/zinc/29/59/06/173295906.db2.gz NBHUHIDFSMVHQJ-NSHDSACASA-N 0 0 219.328 2.735 50 0 BFAARN CNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000098012983 173308488 /nfs/dbraw/zinc/30/84/88/173308488.db2.gz RDLJUWVBENIGFL-OLZOCXBDSA-N 0 0 217.312 2.660 50 0 BFAARN CNC(=O)c1cc(-c2ccncc2)ccc1Cl ZINC000020271346 173309158 /nfs/dbraw/zinc/30/91/58/173309158.db2.gz OLBUHWODSUQLTE-UHFFFAOYSA-N 0 0 246.697 2.762 50 0 BFAARN CNC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000058280152 173310154 /nfs/dbraw/zinc/31/01/54/173310154.db2.gz REZFAAMAMILUEY-UHFFFAOYSA-N 0 0 243.093 2.834 50 0 BFAARN CNC(=S)Nc1ccc(Cl)cc1Cl ZINC000004670383 173316680 /nfs/dbraw/zinc/31/66/80/173316680.db2.gz DTKJSIGFJFXNFE-UHFFFAOYSA-N 0 0 235.139 2.910 50 0 BFAARN CNc1ccccc1S(=O)(=O)c1ccccc1 ZINC000039151592 173483275 /nfs/dbraw/zinc/48/32/75/173483275.db2.gz AMJNIYXKOUQCJQ-UHFFFAOYSA-N 0 0 247.319 2.561 50 0 BFAARN COC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000009280726 173515960 /nfs/dbraw/zinc/51/59/60/173515960.db2.gz QSOSXLRFBBFQEJ-UHFFFAOYSA-N 0 0 210.660 2.545 50 0 BFAARN COC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 ZINC000000142294 173662065 /nfs/dbraw/zinc/66/20/65/173662065.db2.gz JEBSACJPIOZOAI-UHFFFAOYSA-N 0 0 249.188 2.892 50 0 BFAARN COC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000016973621 173693872 /nfs/dbraw/zinc/69/38/72/173693872.db2.gz SFNXXHCNMGZERC-ZCFIWIBFSA-N 0 0 249.093 2.934 50 0 BFAARN COC(=O)c1cc(-c2cc(OC)ccc2F)c[nH]1 ZINC000067605202 173845938 /nfs/dbraw/zinc/84/59/38/173845938.db2.gz AWZPWDISKZVFIM-UHFFFAOYSA-N 0 0 249.241 2.616 50 0 BFAARN COC(=O)c1cc(-c2ccccc2)sc1N ZINC000000090196 173847788 /nfs/dbraw/zinc/84/77/88/173847788.db2.gz QKYRXLPXSJZIQM-UHFFFAOYSA-N 0 0 233.292 2.784 50 0 BFAARN COC(=O)c1cc2c(cccc2C(F)(F)F)[nH]1 ZINC000034792397 173862704 /nfs/dbraw/zinc/86/27/04/173862704.db2.gz HEEQKKQXILYZNF-UHFFFAOYSA-N 0 0 243.184 2.973 50 0 BFAARN COC(=O)c1ccc(-c2cc(C)ns2)cc1 ZINC000091695997 173864172 /nfs/dbraw/zinc/86/41/72/173864172.db2.gz GWDSEMNOINVPIX-UHFFFAOYSA-N 0 0 233.292 2.905 50 0 BFAARN COC(=O)c1cc2cc(OC)ccc2s1 ZINC000062709773 173864858 /nfs/dbraw/zinc/86/48/58/173864858.db2.gz NYPCNZRDJYLVLF-UHFFFAOYSA-N 0 0 222.265 2.697 50 0 BFAARN COC(=O)c1ccc(-c2ccc(F)cc2)cc1O ZINC000044857498 173866283 /nfs/dbraw/zinc/86/62/83/173866283.db2.gz UKHAZQZALANADB-UHFFFAOYSA-N 0 0 246.237 2.985 50 0 BFAARN COC(=O)c1sccc1NCc1ccoc1 ZINC000044857396 173923863 /nfs/dbraw/zinc/92/38/63/173923863.db2.gz NFUKQPOGGNAJID-UHFFFAOYSA-N 0 0 237.280 2.740 50 0 BFAARN COC(=O)c1scc(-c2ccccc2)c1N ZINC000002557710 173923892 /nfs/dbraw/zinc/92/38/92/173923892.db2.gz UKWKMKNACSKDCN-UHFFFAOYSA-N 0 0 233.292 2.784 50 0 BFAARN COC1=CC(=O)O[C@H](/C=C/c2ccccc2)C1 ZINC000000001102 174012893 /nfs/dbraw/zinc/01/28/93/174012893.db2.gz XEAQIWGXBXCYFX-ABZNLYFFSA-N 0 0 230.263 2.546 50 0 aggregator,biogenic,in-vitro BFAARN Cc1nnc(NCc2ccc(Cl)cc2)o1 ZINC000095445176 322930945 /nfs/dbraw/zinc/93/09/45/322930945.db2.gz AFGBADWLNUOARA-UHFFFAOYSA-N 0 0 223.663 2.644 50 0 BFAARN COCCC(=O)N(C)c1ccc(C)c(Cl)c1 ZINC000079093332 174122645 /nfs/dbraw/zinc/12/26/45/174122645.db2.gz XVGVPVJVNJHPGA-UHFFFAOYSA-N 0 0 241.718 2.648 50 0 BFAARN COCCC1CCN(C(=O)CCC(C)C)CC1 ZINC000065180833 174159272 /nfs/dbraw/zinc/15/92/72/174159272.db2.gz SFNVZKCAVMAENI-UHFFFAOYSA-N 0 0 241.375 2.698 50 0 BFAARN COCCCC(=O)Nc1ccc2oc(C)nc2c1 ZINC000047623468 174168442 /nfs/dbraw/zinc/16/84/42/174168442.db2.gz AZBJNIZZTTXCES-UHFFFAOYSA-N 0 0 248.282 2.501 50 0 BFAARN COCCCOc1ccc([C@@H]2CCOC2)cc1 ZINC000225627822 174256887 /nfs/dbraw/zinc/25/68/87/174256887.db2.gz YMXZUIWKGWIVCC-CYBMUJFWSA-N 0 0 236.311 2.606 50 0 BFAARN COCCCOc1ccc(N)c(C(F)(F)F)c1 ZINC000014630333 174256926 /nfs/dbraw/zinc/25/69/26/174256926.db2.gz IXMLXNGVALULDC-UHFFFAOYSA-N 0 0 249.232 2.703 50 0 BFAARN COCCNC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000001777560 174319218 /nfs/dbraw/zinc/31/92/18/174319218.db2.gz SVENMCHNYGSAEJ-RMKNXTFCSA-N 0 0 247.338 2.586 50 0 BFAARN COCCOC(=O)Nc1cc(Cl)ccc1C ZINC000001646540 174343640 /nfs/dbraw/zinc/34/36/40/174343640.db2.gz HSENKMYBQRPZEI-UHFFFAOYSA-N 0 0 243.690 2.843 50 0 BFAARN COCCOc1cc(Br)ccc1C ZINC000074934308 174366417 /nfs/dbraw/zinc/36/64/17/174366417.db2.gz NCUJZKUKXMXJJK-UHFFFAOYSA-N 0 0 245.116 2.783 50 0 BFAARN COCCOc1ccc(F)cc1NC(C)C ZINC000121748004 174368788 /nfs/dbraw/zinc/36/87/88/174368788.db2.gz KZJOQPMIIXWTAC-UHFFFAOYSA-N 0 0 227.279 2.671 50 0 BFAARN COCCSCc1c(C)nc2ccccn21 ZINC000089547725 174375452 /nfs/dbraw/zinc/37/54/52/174375452.db2.gz ABMDHDZXXUFLES-UHFFFAOYSA-N 0 0 236.340 2.522 50 0 BFAARN COCCSc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000026197480 174377239 /nfs/dbraw/zinc/37/72/39/174377239.db2.gz IXOSDLWLCHWIRN-UHFFFAOYSA-N 0 0 249.339 2.519 50 0 BFAARN COCCSc1nc(-c2ccccc2)c[nH]1 ZINC000029029742 174377563 /nfs/dbraw/zinc/37/75/63/174377563.db2.gz LTOXECCJMMUWAB-UHFFFAOYSA-N 0 0 234.324 2.815 50 0 BFAARN COCOc1ccc(C(C)=O)cc1Cl ZINC000128343391 174431949 /nfs/dbraw/zinc/43/19/49/174431949.db2.gz WNZVOINOWRGIKY-UHFFFAOYSA-N 0 0 214.648 2.525 50 0 BFAARN COCc1cccc(OC(=O)c2ccoc2)c1 ZINC000071903255 174632690 /nfs/dbraw/zinc/63/26/90/174632690.db2.gz IHNIJFJCUBLRKT-UHFFFAOYSA-N 0 0 232.235 2.645 50 0 BFAARN CO[C@H](CNC(=O)C1CCC1)c1ccccc1C ZINC000096104904 174861482 /nfs/dbraw/zinc/86/14/82/174861482.db2.gz PNIYJPIHYPVSTK-CQSZACIVSA-N 0 0 247.338 2.599 50 0 BFAARN COc1cc(/C=C\[N+](=O)[O-])cc(Cl)c1OC ZINC000044628651 174940809 /nfs/dbraw/zinc/94/08/09/174940809.db2.gz AYULBTLOYLJHSB-ARJAWSKDSA-N 0 0 243.646 2.605 50 0 BFAARN COc1cc2nccc(Cl)c2c(OC)c1 ZINC000035731097 175008715 /nfs/dbraw/zinc/00/87/15/175008715.db2.gz JSOONZDJCBQKRD-UHFFFAOYSA-N 0 0 223.659 2.905 50 0 BFAARN COc1cc2c(cc1OC)C(C)=NC(C)(C)C2 ZINC000002055021 175024930 /nfs/dbraw/zinc/02/49/30/175024930.db2.gz GHDJZAVHDPGMGK-UHFFFAOYSA-N 0 0 233.311 2.848 50 0 biogenic BFAARN COc1cc2cc[nH]c2cc1Br ZINC000034317201 175026311 /nfs/dbraw/zinc/02/63/11/175026311.db2.gz LYRDXFOLYOIABR-UHFFFAOYSA-N 0 0 226.073 2.939 50 0 BFAARN COc1cc2ccncc2cc1OCCSC ZINC000097378076 175027003 /nfs/dbraw/zinc/02/70/03/175027003.db2.gz RMVQRIHBYMZNRK-UHFFFAOYSA-N 0 0 249.335 2.985 50 0 BFAARN COc1cc2ccnc(Cl)c2cc1OC ZINC000039137248 175027039 /nfs/dbraw/zinc/02/70/39/175027039.db2.gz MPMDYPSDYGHVBM-UHFFFAOYSA-N 0 0 223.659 2.905 50 0 BFAARN COc1ccc(-c2c[nH]c(C)n2)c(C)c1 ZINC000065406989 175030338 /nfs/dbraw/zinc/03/03/38/175030338.db2.gz GNOHHKXPVGGMAH-UHFFFAOYSA-N 0 0 202.257 2.702 50 0 BFAARN COc1ccc(-c2ccc(C=O)cn2)cc1 ZINC000002527548 175033255 /nfs/dbraw/zinc/03/32/55/175033255.db2.gz YZDVCIURBAJHKI-UHFFFAOYSA-N 0 0 213.236 2.570 50 0 BFAARN COc1ccc(-c2ccc(N)nc2)c(C)c1 ZINC000052886414 175033908 /nfs/dbraw/zinc/03/39/08/175033908.db2.gz NNXMTMFZUPCBAA-UHFFFAOYSA-N 0 0 214.268 2.648 50 0 BFAARN COc1ccc(-c2ccc3[nH]ccc3c2)nn1 ZINC000032537247 175034126 /nfs/dbraw/zinc/03/41/26/175034126.db2.gz RAPQUGXNLQWWJG-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN COc1ccc(-c2cccc([C@H](C)O)n2)cc1F ZINC000096152442 175034903 /nfs/dbraw/zinc/03/49/03/175034903.db2.gz UBNKXHDLXZBNIP-VIFPVBQESA-N 0 0 247.269 2.950 50 0 BFAARN COc1ccc(-c2csc(N)n2)c(F)c1 ZINC000004134816 175037700 /nfs/dbraw/zinc/03/77/00/175037700.db2.gz XXOPNCIEDFPXIG-UHFFFAOYSA-N 0 0 224.260 2.540 50 0 BFAARN COc1ccc(-n2cccc2C=O)cc1Cl ZINC000004237629 175043739 /nfs/dbraw/zinc/04/37/39/175043739.db2.gz OPSMCMNFVALRBN-UHFFFAOYSA-N 0 0 235.670 2.952 50 0 BFAARN COc1ccc(Br)cc1C(C)=O ZINC000002511063 175051504 /nfs/dbraw/zinc/05/15/04/175051504.db2.gz GLKBPFOSTPLEKE-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN COc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000000123248 175058778 /nfs/dbraw/zinc/05/87/78/175058778.db2.gz IMMPTCOVSXOBPZ-UHFFFAOYSA-N 0 0 233.311 2.758 50 0 BFAARN COc1ccc(C(=O)Nc2cccc(O)c2)cc1 ZINC000000408595 175063457 /nfs/dbraw/zinc/06/34/57/175063457.db2.gz ZMGNPCHNENKCPW-UHFFFAOYSA-N 0 0 243.262 2.653 50 0 BFAARN COc1ccc(C(=O)c2ccc(O)cc2)cc1 ZINC000000396292 175066190 /nfs/dbraw/zinc/06/61/90/175066190.db2.gz LGJXZWFPIDESNQ-UHFFFAOYSA-N 0 0 228.247 2.632 50 0 BFAARN COc1ccc(C(=S)N2CCCCC2)cc1 ZINC000000256647 175067127 /nfs/dbraw/zinc/06/71/27/175067127.db2.gz CYUHVSHBDSLRNA-UHFFFAOYSA-N 0 0 235.352 2.857 50 0 BFAARN COc1ccc(C)cc1NC(=O)C1CCC1 ZINC000006395584 175077827 /nfs/dbraw/zinc/07/78/27/175077827.db2.gz HOXXQUOEVYDHGM-UHFFFAOYSA-N 0 0 219.284 2.742 50 0 BFAARN COc1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 ZINC000007969443 175104916 /nfs/dbraw/zinc/10/49/16/175104916.db2.gz VXTYLFGZSRXHMK-ZDUSSCGKSA-N 0 0 245.322 2.668 50 0 BFAARN COc1ccc(Cl)c2sc(N)nc21 ZINC000011919940 175119440 /nfs/dbraw/zinc/11/94/40/175119440.db2.gz CLFYPDRIWLKZOS-UHFFFAOYSA-N 0 0 214.677 2.541 50 0 BFAARN COc1ccc(Cl)cc1-c1c(C)noc1N ZINC000036937306 175119646 /nfs/dbraw/zinc/11/96/46/175119646.db2.gz RUKDYKXZEAFBEN-UHFFFAOYSA-N 0 0 238.674 2.894 50 0 BFAARN COc1ccc(Cl)cc1C(C)(C)O ZINC000055191781 175120758 /nfs/dbraw/zinc/12/07/58/175120758.db2.gz IKVRAWRQRMWNGU-UHFFFAOYSA-N 0 0 200.665 2.576 50 0 BFAARN COc1ccc(F)c(C(F)(F)F)c1F ZINC000097758800 175124052 /nfs/dbraw/zinc/12/40/52/175124052.db2.gz SWXZIOYTPHIXSU-UHFFFAOYSA-N 0 0 212.117 2.992 50 0 BFAARN COc1ccc(F)c(Br)c1 ZINC000071244646 175124658 /nfs/dbraw/zinc/12/46/58/175124658.db2.gz LYIGJBQYDRJPIR-UHFFFAOYSA-N 0 0 205.026 2.597 50 0 BFAARN COc1ccc(F)c(F)c1Br ZINC000016697362 175125505 /nfs/dbraw/zinc/12/55/05/175125505.db2.gz CSPMXYABVLJGJX-UHFFFAOYSA-N 0 0 223.016 2.736 50 0 BFAARN COc1ccc(NC(=O)C=C(C)C)cc1 ZINC000022927156 175140409 /nfs/dbraw/zinc/14/04/09/175140409.db2.gz GHNFZPUZIVOQFO-UHFFFAOYSA-N 0 0 205.257 2.600 50 0 BFAARN COc1ccc(NC(=O)C(C)C)cc1Cl ZINC000005643127 175140851 /nfs/dbraw/zinc/14/08/51/175140851.db2.gz XPKQAAYDCBIBGS-UHFFFAOYSA-N 0 0 227.691 2.943 50 0 BFAARN COc1ccc(NC(=O)C2CCCC2)cc1F ZINC000040542264 175140874 /nfs/dbraw/zinc/14/08/74/175140874.db2.gz QIMWABQEXJNOKR-UHFFFAOYSA-N 0 0 237.274 2.963 50 0 BFAARN COc1ccc(NC(=O)CC(C)C)cc1OC ZINC000000383793 175141480 /nfs/dbraw/zinc/14/14/80/175141480.db2.gz KNUQLJHQENEADV-UHFFFAOYSA-N 0 0 237.299 2.688 50 0 BFAARN COc1ccc(NC(=O)OC(C)(C)C)c(N)c1 ZINC000019421502 175144626 /nfs/dbraw/zinc/14/46/26/175144626.db2.gz RUTRVXDBOSVFFT-UHFFFAOYSA-N 0 0 238.287 2.624 50 0 BFAARN COc1ccc(NCc2cccc(F)c2)cn1 ZINC000019877569 175152248 /nfs/dbraw/zinc/15/22/48/175152248.db2.gz PMCUMHBCSZQTNP-UHFFFAOYSA-N 0 0 232.258 2.841 50 0 BFAARN COc1ccc(Nc2cc(C)ncn2)cc1OC ZINC000011902781 175155989 /nfs/dbraw/zinc/15/59/89/175155989.db2.gz MJMDMCKEKQGYPY-UHFFFAOYSA-N 0 0 245.282 2.546 50 0 BFAARN COc1ccc(OC(=O)C=C(C)C)cc1 ZINC000000148995 175163024 /nfs/dbraw/zinc/16/30/24/175163024.db2.gz LYIMDMMPUGFSEH-UHFFFAOYSA-N 0 0 206.241 2.567 50 0 BFAARN COc1ccc(OC(=O)c2ccoc2)cc1OC ZINC000076091015 175163044 /nfs/dbraw/zinc/16/30/44/175163044.db2.gz ZEJWVEYKWMYBGY-UHFFFAOYSA-N 0 0 248.234 2.516 50 0 BFAARN COc1ccc(OC)c([C@H]2CCCC[C@H]2O)c1 ZINC000001715773 175169106 /nfs/dbraw/zinc/16/91/06/175169106.db2.gz IPBLFABLABBHLF-DGCLKSJQSA-N 0 0 236.311 2.722 50 0 BFAARN COc1ccc([C@@H](CC(C)C)NC(C)=O)cc1 ZINC000033359577 175178493 /nfs/dbraw/zinc/17/84/93/175178493.db2.gz OLQXSIIRAKRIJZ-CQSZACIVSA-N 0 0 235.327 2.919 50 0 BFAARN COc1ccc([C@H]2CCCC[C@@H]2O)cc1 ZINC000000393739 175194532 /nfs/dbraw/zinc/19/45/32/175194532.db2.gz FHVVYVTWZBXZBN-OLZOCXBDSA-N 0 0 206.285 2.714 50 0 BFAARN COc1ccc2[nH]c3c(nc[nH]c3=S)c2c1 ZINC000005729827 175201767 /nfs/dbraw/zinc/20/17/67/175201767.db2.gz NRHNFEIOZFBUID-UHFFFAOYSA-N 0 0 231.280 2.782 50 0 BFAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3O ZINC000000202408 175202169 /nfs/dbraw/zinc/20/21/69/175202169.db2.gz RGKGREVBQIMFDJ-GFCCVEGCSA-N 0 0 217.268 2.546 50 0 BFAARN COc1ccc2c(c1)[nH]cc2-c1cnc(N)s1 ZINC000034925343 175203175 /nfs/dbraw/zinc/20/31/75/175203175.db2.gz IAVGDVWZFZSZBW-UHFFFAOYSA-N 0 0 245.307 2.882 50 0 BFAARN COc1ccc2c(C)c(-c3nnc(C)[nH]3)oc2c1 ZINC000065375172 175203792 /nfs/dbraw/zinc/20/37/92/175203792.db2.gz ZZPKZBDAKVLQFP-UHFFFAOYSA-N 0 0 243.266 2.843 50 0 BFAARN COc1cccc(F)c1Br ZINC000002510744 175274244 /nfs/dbraw/zinc/27/42/44/175274244.db2.gz RNUBPKHSQXYYCV-UHFFFAOYSA-N 0 0 205.026 2.597 50 0 BFAARN COc1cccc(NCC(F)(F)F)c1 ZINC000020055724 175278580 /nfs/dbraw/zinc/27/85/80/175278580.db2.gz KVBSCPYTIJHXRX-UHFFFAOYSA-N 0 0 205.179 2.669 50 0 BFAARN COc1ccc2c(c1)CC[C@@]1(C)C2=CC[C@@H]1O ZINC000071774147 175210118 /nfs/dbraw/zinc/21/01/18/175210118.db2.gz CVDBQWXONDFFGQ-GJZGRUSLSA-N 0 0 230.307 2.796 50 0 BFAARN COc1ccc2c(c1C)OC(C)(C)CC2=O ZINC000000173278 175220186 /nfs/dbraw/zinc/22/01/86/175220186.db2.gz FXCFNISCGZOEFF-UHFFFAOYSA-N 0 0 220.268 2.747 50 0 BFAARN COc1ccc2cc(-c3nc[nH]n3)ccc2c1 ZINC000039510033 175223478 /nfs/dbraw/zinc/22/34/78/175223478.db2.gz RKLVBDBVMJWMLB-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN COc1ccc2cc([C@@H](C)O)ccc2c1 ZINC000002382886 175225037 /nfs/dbraw/zinc/22/50/37/175225037.db2.gz OUVJWFRUESFCCY-SECBINFHSA-N 0 0 202.253 2.902 50 0 in-vitro BFAARN COc1ccc2oc(C(C)=O)c(C)c2c1 ZINC000026513625 175230761 /nfs/dbraw/zinc/23/07/61/175230761.db2.gz HZHJVKJXTREWKL-UHFFFAOYSA-N 0 0 204.225 2.952 50 0 BFAARN COc1ccc2sc(C)nc2c1NC(C)=O ZINC000000236088 175232394 /nfs/dbraw/zinc/23/23/94/175232394.db2.gz ZOUMIJOGMCQKRP-UHFFFAOYSA-N 0 0 236.296 2.572 50 0 BFAARN COc1cccc(-c2ccc(C(C)=O)cn2)c1 ZINC000040448162 175234178 /nfs/dbraw/zinc/23/41/78/175234178.db2.gz OHOYOTBPINKVLQ-UHFFFAOYSA-N 0 0 227.263 2.960 50 0 BFAARN COc1cccc(-c2cnn3cccnc23)c1F ZINC000067885328 175235341 /nfs/dbraw/zinc/23/53/41/175235341.db2.gz BGDSHHRIKIBSQM-UHFFFAOYSA-N 0 0 243.241 2.544 50 0 BFAARN COc1cccc(-c2csc(NC(C)=O)n2)c1 ZINC000000151108 175235642 /nfs/dbraw/zinc/23/56/42/175235642.db2.gz ZPCBLMNNEARNKK-UHFFFAOYSA-N 0 0 248.307 2.777 50 0 BFAARN COc1cccc(-c2nccs2)c1F ZINC000065505362 175237678 /nfs/dbraw/zinc/23/76/78/175237678.db2.gz ZVWRFEAEEKWOCO-UHFFFAOYSA-N 0 0 209.245 2.958 50 0 BFAARN COc1cccc(C(=O)Nc2ncccc2C)c1 ZINC000005337916 175246233 /nfs/dbraw/zinc/24/62/33/175246233.db2.gz AZQRTELJNIEDDX-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1cccc(C(=O)c2cccc(Cl)c2)n1 ZINC000045028726 175247287 /nfs/dbraw/zinc/24/72/87/175247287.db2.gz KJTVXHXVASZGCD-UHFFFAOYSA-N 0 0 247.681 2.975 50 0 BFAARN COc1cccc(CC(=O)NC2CCCCC2)c1 ZINC000014856807 175249529 /nfs/dbraw/zinc/24/95/29/175249529.db2.gz USYBRJFWFCGVBY-UHFFFAOYSA-N 0 0 247.338 2.687 50 0 BFAARN COc1cccc(CNc2ncccc2OC)c1 ZINC000169025966 175268869 /nfs/dbraw/zinc/26/88/69/175268869.db2.gz FMWJXJYDJIZQON-UHFFFAOYSA-N 0 0 244.294 2.711 50 0 BFAARN COc1cccc(CO)c1OCc1ccccc1 ZINC000000516866 175270126 /nfs/dbraw/zinc/27/01/26/175270126.db2.gz OQIGXCSBMYVDOZ-UHFFFAOYSA-N 0 0 244.290 2.767 50 0 BFAARN COc1cccc(C[C@H]2CCCC(=O)C2)c1 ZINC000002514128 175272103 /nfs/dbraw/zinc/27/21/03/175272103.db2.gz SHLAQNMUAQEQED-LLVKDONJSA-N 0 0 218.296 2.997 50 0 BFAARN COc1cccc(Cl)c1-c1cc(CO)ccn1 ZINC000065386617 175273359 /nfs/dbraw/zinc/27/33/59/175273359.db2.gz CYMPXIXLFVSGTI-UHFFFAOYSA-N 0 0 249.697 2.903 50 0 BFAARN COc1cccc(NC(=O)[C@@H]2CC=CCC2)c1 ZINC000012918758 175277603 /nfs/dbraw/zinc/27/76/03/175277603.db2.gz BMIXXPRORDZBJB-LLVKDONJSA-N 0 0 231.295 2.990 50 0 BFAARN COc1cccc(NC(=O)c2ccc(N)cc2)c1 ZINC000007468111 175277985 /nfs/dbraw/zinc/27/79/85/175277985.db2.gz WVEFNAWDWIDKIQ-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1cccc(Nc2ccnc(Cl)n2)c1 ZINC000040448065 175281182 /nfs/dbraw/zinc/28/11/82/175281182.db2.gz LKXKUDIRTBOIPA-UHFFFAOYSA-N 0 0 235.674 2.882 50 0 BFAARN COc1cccc(OCCc2nccs2)c1 ZINC000082092747 175283540 /nfs/dbraw/zinc/28/35/40/175283540.db2.gz ITLKGUSMFGODBH-UHFFFAOYSA-N 0 0 235.308 2.773 50 0 BFAARN COc1cccc(SCc2noc(C)n2)c1 ZINC000058264265 175285910 /nfs/dbraw/zinc/28/59/10/175285910.db2.gz CXZRKAPDKQSPGC-UHFFFAOYSA-N 0 0 236.296 2.679 50 0 BFAARN COc1cccc([C@@H](C)Sc2cn[nH]n2)c1 ZINC000089905285 175287739 /nfs/dbraw/zinc/28/77/39/175287739.db2.gz JDBLUALIVJKCSC-MRVPVSSYSA-N 0 0 235.312 2.667 50 0 BFAARN COc1ccccc1-c1ccc(=S)[nH]n1 ZINC000041231200 175309467 /nfs/dbraw/zinc/30/94/67/175309467.db2.gz VSKVLGMEJOOEEV-UHFFFAOYSA-N 0 0 218.281 2.815 50 0 BFAARN COc1ccccc1-n1cnc2cc(N)ccc21 ZINC000000972525 175312465 /nfs/dbraw/zinc/31/24/65/175312465.db2.gz SWJKWARGFFLVJA-UHFFFAOYSA-N 0 0 239.278 2.616 50 0 BFAARN COc1ccccc1/C(C)=C/C(=O)NC(C)C ZINC000066589595 175314375 /nfs/dbraw/zinc/31/43/75/175314375.db2.gz AJWXGCULTFGOKP-PKNBQFBNSA-N 0 0 233.311 2.623 50 0 BFAARN COc1ccccc1C(=O)Nc1cccc(C)n1 ZINC000011535879 175318998 /nfs/dbraw/zinc/31/89/98/175318998.db2.gz DITQZYVUOUAZAQ-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccccc1C(=O)Nc1ncc(C)s1 ZINC000000311652 175319166 /nfs/dbraw/zinc/31/91/66/175319166.db2.gz YIRMDWIHDRPEPO-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 BFAARN COc1ccccc1CN(C)C(=O)C(C)(C)C ZINC000045477376 175324458 /nfs/dbraw/zinc/32/44/58/175324458.db2.gz RUNPSGZKHNETJJ-UHFFFAOYSA-N 0 0 235.327 2.700 50 0 BFAARN COc1ccccc1CNC(=O)c1ccccc1 ZINC000003094197 175329261 /nfs/dbraw/zinc/32/92/61/175329261.db2.gz LDAIHXNJCQYIPO-UHFFFAOYSA-N 0 0 241.290 2.625 50 0 BFAARN COc1ccccc1CNC(=O)c1ccc(C)o1 ZINC000002872574 175329459 /nfs/dbraw/zinc/32/94/59/175329459.db2.gz PUTVECOPAWXJGJ-UHFFFAOYSA-N 0 0 245.278 2.527 50 0 BFAARN COc1ccccc1NC(=O)c1c(C)noc1C ZINC000000251940 175336768 /nfs/dbraw/zinc/33/67/68/175336768.db2.gz BJWWOXAPPCIESS-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1ccccc1NC(=O)c1ccc(C)n1C ZINC000021216714 175337204 /nfs/dbraw/zinc/33/72/04/175337204.db2.gz PNNYPSUNFDUNHF-UHFFFAOYSA-N 0 0 244.294 2.594 50 0 BFAARN COc1ccccc1OC(=O)Cc1ccccc1 ZINC000000000352 175339570 /nfs/dbraw/zinc/33/95/70/175339570.db2.gz KNVYLIIBQXVDKC-UHFFFAOYSA-N 0 0 242.274 2.843 50 0 endogenous,in-man BFAARN COc1ccccc1[C@H](C)NC(=O)C1CCC1 ZINC000013020927 175350653 /nfs/dbraw/zinc/35/06/53/175350653.db2.gz ZGCLJAPPVUBLQS-JTQLQIEISA-N 0 0 233.311 2.673 50 0 BFAARN COc1ccnc(CSCC2CC2)c1 ZINC000097094896 175360012 /nfs/dbraw/zinc/36/00/12/175360012.db2.gz OTVHDNDIPRSJGV-UHFFFAOYSA-N 0 0 209.314 2.733 50 0 BFAARN COc1ccnc(Nc2cccc(SC)c2)n1 ZINC000032907667 175368214 /nfs/dbraw/zinc/36/82/14/175368214.db2.gz IJNZHCUAXODXJH-UHFFFAOYSA-N 0 0 247.323 2.951 50 0 BFAARN COc1ccncc1NC(=O)C1CCCCC1 ZINC000069378772 175375750 /nfs/dbraw/zinc/37/57/50/175375750.db2.gz AQAYXPPDNBVWET-UHFFFAOYSA-N 0 0 234.299 2.609 50 0 BFAARN COc1cncc(NC(=O)OC(C)(C)C)c1C ZINC000035270289 175386665 /nfs/dbraw/zinc/38/66/65/175386665.db2.gz MLXHDVCEKKKMHN-UHFFFAOYSA-N 0 0 238.287 2.746 50 0 BFAARN COc1nc2cc(N)c(Cl)cc2s1 ZINC000045235926 175396395 /nfs/dbraw/zinc/39/63/95/175396395.db2.gz UKJHHYUGEROORK-UHFFFAOYSA-N 0 0 214.677 2.541 50 0 BFAARN COc1ncc(C)cc1NC(=O)[C@@H]1CC=CCC1 ZINC000098016178 175398096 /nfs/dbraw/zinc/39/80/96/175398096.db2.gz XOBSLQZQIFCLCO-LLVKDONJSA-N 0 0 246.310 2.693 50 0 BFAARN CSCC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000032904121 175456923 /nfs/dbraw/zinc/45/69/23/175456923.db2.gz NBGYNUYTVICHBA-GFCCVEGCSA-N 0 0 235.352 2.713 50 0 BFAARN CSCCC(=O)Nc1nc(C2CC2)cs1 ZINC000025563764 175469399 /nfs/dbraw/zinc/46/93/99/175469399.db2.gz ZHCSGBZUKLHBND-UHFFFAOYSA-N 0 0 242.369 2.712 50 0 BFAARN CSc1cc(-c2ccc(F)cc2)[nH]n1 ZINC000000082134 175571940 /nfs/dbraw/zinc/57/19/40/175571940.db2.gz ZDFTZMJWTJLPRE-UHFFFAOYSA-N 0 0 208.261 2.938 50 0 BFAARN C[C@@H](C(=O)Nc1cccc(Cl)c1)n1cccn1 ZINC000024750659 175620787 /nfs/dbraw/zinc/62/07/87/175620787.db2.gz OUIKTESKKNQKNF-VIFPVBQESA-N 0 0 249.701 2.736 50 0 BFAARN C[C@@H](NCC(F)(F)F)[C@@H]1COc2ccccc21 ZINC000097112626 175864909 /nfs/dbraw/zinc/86/49/09/175864909.db2.gz WLMHYKNGEVSKHK-SCZZXKLOSA-N 0 0 245.244 2.703 50 0 BFAARN C[C@@H](Oc1ccccc1)C(=O)N1CCCCCC1 ZINC000000030747 176005292 /nfs/dbraw/zinc/00/52/92/176005292.db2.gz VWAAHLGLSXESJF-CYBMUJFWSA-N 0 0 247.338 2.857 50 0 BFAARN C[C@@H](Oc1ccccc1)C(=O)Nc1nccs1 ZINC000004731386 176005588 /nfs/dbraw/zinc/00/55/88/176005588.db2.gz QPRUFYKSDXNYSO-SECBINFHSA-N 0 0 248.307 2.549 50 0 BFAARN C[C@@H](Sc1cccc(C(F)(F)F)c1)C(N)=O ZINC000003413120 176009526 /nfs/dbraw/zinc/00/95/26/176009526.db2.gz JQAOHLPBSFGBQY-ZCFIWIBFSA-N 0 0 249.257 2.671 50 0 BFAARN C[C@@H](Sc1ccc(C(C)(C)C)cc1)C(N)=O ZINC000026091258 176009716 /nfs/dbraw/zinc/00/97/16/176009716.db2.gz NWOGDOKZJCTYGQ-SECBINFHSA-N 0 0 237.368 2.950 50 0 BFAARN C[C@@H](Sc1ncc[nH]1)c1nc(C2CC2)no1 ZINC000096430216 176010359 /nfs/dbraw/zinc/01/03/59/176010359.db2.gz HFXGGJYMRUZLBK-ZCFIWIBFSA-N 0 0 236.300 2.523 50 0 BFAARN C[C@@H](O)[C@@H](C)c1ccc2ccccc2n1 ZINC000063039742 176017030 /nfs/dbraw/zinc/01/70/30/176017030.db2.gz LLDUNGXDOXONAX-NXEZZACHSA-N 0 0 201.269 2.719 50 0 BFAARN C[C@@H](c1ccco1)N(C)C(=O)c1ccco1 ZINC000071866978 176031687 /nfs/dbraw/zinc/03/16/87/176031687.db2.gz SGYVYVLMPADUDL-VIFPVBQESA-N 0 0 219.240 2.706 50 0 BFAARN C[C@H]1c2ccc(Br)cc2N(C)C1=O ZINC000107253903 176043507 /nfs/dbraw/zinc/04/35/07/176043507.db2.gz MXPJGXFVNXAQDK-LURJTMIESA-N 0 0 240.100 2.529 50 0 BFAARN C[C@@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC000006030847 176067729 /nfs/dbraw/zinc/06/77/29/176067729.db2.gz KRHYGGFLEBNTHQ-VXGBXAGGSA-N 0 0 207.317 2.744 50 0 BFAARN C[C@@H]1CCCCN1C(=O)[C@H]1CC=CCC1 ZINC000006030846 176068302 /nfs/dbraw/zinc/06/83/02/176068302.db2.gz KRHYGGFLEBNTHQ-NEPJUHHUSA-N 0 0 207.317 2.744 50 0 BFAARN C[C@@H]1CCCCN1Cc1nnc(C(C)(C)C)o1 ZINC000046837890 176073439 /nfs/dbraw/zinc/07/34/39/176073439.db2.gz LLWIOIXXFXGGNC-SNVBAGLBSA-N 0 0 237.347 2.742 50 0 BFAARN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccco1 ZINC000032787717 176078030 /nfs/dbraw/zinc/07/80/30/176078030.db2.gz VYXBJTIVSBVZOH-MNOVXSKESA-N 0 0 221.300 2.930 50 0 BFAARN C[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000000318480 176090990 /nfs/dbraw/zinc/09/09/90/176090990.db2.gz NPXDSRAYXKEXAV-LLVKDONJSA-N 0 0 209.333 2.825 50 0 BFAARN C[C@@H]1CCCN(Cc2nccn2C(F)F)C1 ZINC000078241666 176101385 /nfs/dbraw/zinc/10/13/85/176101385.db2.gz FZCGMAHJHIDDBE-SECBINFHSA-N 0 0 229.274 2.510 50 0 BFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)/C=C\c1ccccn1 ZINC000229570264 176114110 /nfs/dbraw/zinc/11/41/10/176114110.db2.gz WSZUVDRMUVAGNK-CYZFJHGLSA-N 0 0 244.338 2.884 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)c2cccnc2)[C@@H]1C ZINC000009969954 176143573 /nfs/dbraw/zinc/14/35/73/176143573.db2.gz UYTYXXIMPJCQLO-WZRBSPASSA-N 0 0 232.327 2.636 50 0 BFAARN C[C@@H]1CCc2[nH]c3ccccc3c(=O)c2C1 ZINC000000128482 176238926 /nfs/dbraw/zinc/23/89/26/176238926.db2.gz LNNMVJASWLOYHW-SECBINFHSA-N 0 0 213.280 2.653 50 0 BFAARN C[C@@H]1CN(C(=O)NCC2CC2)[C@@H]1c1ccccc1 ZINC000170004143 176250568 /nfs/dbraw/zinc/25/05/68/176250568.db2.gz IYNCISVLLJACPG-RISCZKNCSA-N 0 0 244.338 2.799 50 0 BFAARN C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000019606841 176305360 /nfs/dbraw/zinc/30/53/60/176305360.db2.gz ABPZVYPJUQZREO-GHMZBOCLSA-N 0 0 239.746 2.949 50 0 BFAARN C[C@@H]1CN=C(Nc2cccc(F)c2)S1 ZINC000000086374 176324150 /nfs/dbraw/zinc/32/41/50/176324150.db2.gz HACQCQBZFCWXOT-SSDOTTSWSA-N 0 0 210.277 2.729 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2F)C1 ZINC000000029730 176360625 /nfs/dbraw/zinc/36/06/25/176360625.db2.gz ISFAADVEKICCHK-GHMZBOCLSA-N 0 0 235.302 2.944 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)Nc2nccs2)C1 ZINC000042652124 176360645 /nfs/dbraw/zinc/36/06/45/176360645.db2.gz TYGHVSXSDWGKSL-RKDXNWHRSA-N 0 0 239.344 2.653 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccnc2)C1 ZINC000015525019 176361107 /nfs/dbraw/zinc/36/11/07/176361107.db2.gz YVFLTQINSDMSMM-GHMZBOCLSA-N 0 0 233.315 2.591 50 0 BFAARN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccn1 ZINC000095398638 176447803 /nfs/dbraw/zinc/44/78/03/176447803.db2.gz NMLZXZFDWNQEIZ-BZPMIXESSA-N 0 0 244.338 2.875 50 0 BFAARN C[C@@H]1c2cccn2CCN1C(=O)OC1CCCC1 ZINC000240871445 176506415 /nfs/dbraw/zinc/50/64/15/176506415.db2.gz IKPHJLCBPKVPQH-LLVKDONJSA-N 0 0 248.326 2.944 50 0 BFAARN C[C@@]12CCCC[C@H]1c1ccccc1C(=O)N2 ZINC000000093597 176549308 /nfs/dbraw/zinc/54/93/08/176549308.db2.gz OILHGVNUGYSDRQ-GXTWGEPZSA-N 0 0 215.296 2.846 50 0 BFAARN C[C@H](NC(=O)c1ccccc1F)c1cccnc1 ZINC000037486586 176820098 /nfs/dbraw/zinc/82/00/98/176820098.db2.gz VDJSIXZRIXLYNT-JTQLQIEISA-N 0 0 244.269 2.712 50 0 BFAARN C[C@H](Nc1ccn(C)n1)c1ccccc1F ZINC000037471897 176937714 /nfs/dbraw/zinc/93/77/14/176937714.db2.gz RJMVDQPPABXBPS-VIFPVBQESA-N 0 0 219.263 2.732 50 0 BFAARN C[C@H](O)Cc1ccc(Br)c(F)c1 ZINC000072305103 177003270 /nfs/dbraw/zinc/00/32/70/177003270.db2.gz XBTSZRSKEJIMAR-LURJTMIESA-N 0 0 233.080 2.512 50 0 BFAARN C[C@H](c1ccc2ccccc2n1)[C@H](C)O ZINC000063039745 177013278 /nfs/dbraw/zinc/01/32/78/177013278.db2.gz LLDUNGXDOXONAX-UWVGGRQHSA-N 0 0 201.269 2.719 50 0 BFAARN C[C@H](O)c1ccc(-c2ccc(C(N)=O)cc2)cc1 ZINC000067856800 177016645 /nfs/dbraw/zinc/01/66/45/177016645.db2.gz NWTAIEMQPCNGRE-JTQLQIEISA-N 0 0 241.290 2.506 50 0 BFAARN C[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H](C)C1 ZINC000000030487 177024087 /nfs/dbraw/zinc/02/40/87/177024087.db2.gz KUNCMVZNJCVBNU-OLZOCXBDSA-N 0 0 247.338 2.712 50 0 BFAARN C[C@H](Sc1nc[nH]n1)c1ccccc1 ZINC000030831863 177029729 /nfs/dbraw/zinc/02/97/29/177029729.db2.gz XAXUPNZFMUWXOW-QMMMGPOBSA-N 0 0 205.286 2.658 50 0 BFAARN C[C@H](Sc1nc[nH]n1)c1ccc(F)cc1 ZINC000058104189 177029797 /nfs/dbraw/zinc/02/97/97/177029797.db2.gz KSUXTYHRUAXVKQ-ZETCQYMHSA-N 0 0 223.276 2.797 50 0 BFAARN C[C@H](Sc1ncc[nH]1)c1nc(C2CC2)no1 ZINC000096430215 177030149 /nfs/dbraw/zinc/03/01/49/177030149.db2.gz HFXGGJYMRUZLBK-LURJTMIESA-N 0 0 236.300 2.523 50 0 BFAARN C[C@H](c1cc2ccccc2s1)N(O)C(N)=O ZINC000000896731 177031777 /nfs/dbraw/zinc/03/17/77/177031777.db2.gz MWLSOWXNZPKENC-SSDOTTSWSA-N 0 0 236.296 2.732 50 0 fda BFAARN C[C@H](c1cccc(F)c1)N1CCn2ccnc2C1 ZINC000097201311 177037039 /nfs/dbraw/zinc/03/70/39/177037039.db2.gz VMYCNBFGFFEUTF-LLVKDONJSA-N 0 0 245.301 2.599 50 0 BFAARN C[C@@H]1c2ccc(Br)cc2N(C)C1=O ZINC000107253899 177057418 /nfs/dbraw/zinc/05/74/18/177057418.db2.gz MXPJGXFVNXAQDK-ZCFIWIBFSA-N 0 0 240.100 2.529 50 0 BFAARN C[C@H]1CC(=O)c2c1c(Br)ccc2O ZINC000019413975 177063118 /nfs/dbraw/zinc/06/31/18/177063118.db2.gz PZKXRNOZMKHSEB-YFKPBYRVSA-N 0 0 241.084 2.845 50 0 BFAARN C[C@H]1CCCCN1C(=O)NCc1ccccc1 ZINC000012891875 177072816 /nfs/dbraw/zinc/07/28/16/177072816.db2.gz FVHGZQNBQYFYCZ-LBPRGKRZSA-N 0 0 232.327 2.771 50 0 BFAARN C[C@H]1CCCCN1Cc1nnc(C(C)(C)C)o1 ZINC000046837892 177079009 /nfs/dbraw/zinc/07/90/09/177079009.db2.gz LLWIOIXXFXGGNC-JTQLQIEISA-N 0 0 237.347 2.742 50 0 BFAARN C[C@H]1CCCC[C@H]1CNc1ncnc2oncc21 ZINC000225503755 177086377 /nfs/dbraw/zinc/08/63/77/177086377.db2.gz QWGILTNSMCZXBD-UWVGGRQHSA-N 0 0 246.314 2.856 50 0 BFAARN C[C@H]1CCC[C@H](C)N1C(=O)c1ccco1 ZINC000000340600 177131065 /nfs/dbraw/zinc/13/10/65/177131065.db2.gz QUWXLHIGIJVNOV-UWVGGRQHSA-N 0 0 207.273 2.683 50 0 BFAARN C[C@H]1CCCc2sc3ncnc(N)c3c21 ZINC000012404914 177145042 /nfs/dbraw/zinc/14/50/42/177145042.db2.gz HHDQALFTQXKWNB-LURJTMIESA-N 0 0 219.313 2.713 50 0 BFAARN C[C@H]1CCc2noc(NC(=O)c3ccco3)c2C1 ZINC000011917597 177210029 /nfs/dbraw/zinc/21/00/29/177210029.db2.gz JDGHLWOEBSCEQO-QMMMGPOBSA-N 0 0 246.266 2.645 50 0 BFAARN C[C@H]1CN(C(=O)CCC2CCCC2)[C@@H](C)CO1 ZINC000045446164 177214895 /nfs/dbraw/zinc/21/48/95/177214895.db2.gz NXIITIGPLXYQIE-RYUDHWBXSA-N 0 0 239.359 2.593 50 0 BFAARN C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H](C)O1 ZINC000012408888 177264973 /nfs/dbraw/zinc/26/49/73/177264973.db2.gz ABPZVYPJUQZREO-PHIMTYICSA-N 0 0 239.746 2.949 50 0 BFAARN C[C@H]1CN(c2ccnc3ccsc32)CCCO1 ZINC000174723964 177276934 /nfs/dbraw/zinc/27/69/34/177276934.db2.gz LVMFCXPYQJOFME-JTQLQIEISA-N 0 0 248.351 2.912 50 0 BFAARN C[C@@H]1CN(c2nc3ccccc3s2)C[C@H](C)O1 ZINC000013002886 177277822 /nfs/dbraw/zinc/27/78/22/177277822.db2.gz JSTYBIGJUUNOKH-AOOOYVTPSA-N 0 0 248.351 2.910 50 0 BFAARN C[C@H]1CNc2ccc(Br)cc2O1 ZINC000062529559 177287504 /nfs/dbraw/zinc/28/75/04/177287504.db2.gz UOPSIXDWTXOYCJ-LURJTMIESA-N 0 0 228.089 2.642 50 0 BFAARN C[C@H]1C[C@@H](SCc2ccccc2)C(=O)O1 ZINC000065576091 177338150 /nfs/dbraw/zinc/33/81/50/177338150.db2.gz OADPXXKPBOQIBJ-GXSJLCMTSA-N 0 0 222.309 2.624 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)NCc1nc2ccccc2s1 ZINC000013012709 177340877 /nfs/dbraw/zinc/34/08/77/177340877.db2.gz XOOHHYBKKRISRR-IUCAKERBSA-N 0 0 246.335 2.569 50 0 BFAARN C[C@H]1C[C@H](C)CN(C(=O)CCc2cccnc2)C1 ZINC000032747736 177357634 /nfs/dbraw/zinc/35/76/34/177357634.db2.gz VEWWSQCROMDKAF-STQMWFEESA-N 0 0 246.354 2.519 50 0 BFAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H]1C ZINC000016971376 177376749 /nfs/dbraw/zinc/37/67/49/177376749.db2.gz ODKGPKDUWUIWBK-OUCADQQQSA-N 0 0 231.339 2.780 50 0 BFAARN C[C@H]1C[C@H]1C(=O)Nc1ccccc1OC(F)F ZINC000009726553 177376774 /nfs/dbraw/zinc/37/67/74/177376774.db2.gz FBVJRBSAWHBLCJ-JGVFFNPUSA-N 0 0 241.237 2.883 50 0 BFAARN C[C@H]1Cc2ccccc2N1C(=O)c1cccnc1 ZINC000000994893 177390453 /nfs/dbraw/zinc/39/04/53/177390453.db2.gz QUJFOVNCHIYEMM-NSHDSACASA-N 0 0 238.290 2.673 50 0 BFAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccncc1 ZINC000000419833 177390871 /nfs/dbraw/zinc/39/08/71/177390871.db2.gz DRINHURIOWNUEJ-NSHDSACASA-N 0 0 238.290 2.673 50 0 BFAARN C[C@]12CCCC[C@@H]1c1ccccc1C(=O)N2 ZINC000000093599 177482996 /nfs/dbraw/zinc/48/29/96/177482996.db2.gz OILHGVNUGYSDRQ-OCCSQVGLSA-N 0 0 215.296 2.846 50 0 BFAARN C[S@](=O)c1ccc(NCC(C)(C)C)cc1 ZINC000095428771 177496489 /nfs/dbraw/zinc/49/64/89/177496489.db2.gz AJHVYRAUOFBTKZ-OAHLLOKOSA-N 0 0 225.357 2.882 50 0 BFAARN C[Si](C)(C)c1cccc(-c2cc[nH]n2)c1 ZINC000169910730 177499972 /nfs/dbraw/zinc/49/99/72/177499972.db2.gz SSTRXXHMIXADCH-UHFFFAOYSA-N 0 0 216.360 2.622 50 0 BFAARN Cc1[nH]c2ccccc2c1C[C@H]1C[C@H](C)OC1=O ZINC000000518772 177515611 /nfs/dbraw/zinc/51/56/11/177515611.db2.gz LBCSSFHBUUXFJE-GXSJLCMTSA-N 0 0 243.306 2.970 50 0 biogenic BFAARN Cc1[nH]ccc1C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000089536737 177522254 /nfs/dbraw/zinc/52/22/54/177522254.db2.gz PSQYANVRKGFDHX-RYUDHWBXSA-N 0 0 232.327 2.585 50 0 BFAARN Cc1c(N)cccc1C(=O)NCc1ccccc1 ZINC000019266986 177611953 /nfs/dbraw/zinc/61/19/53/177611953.db2.gz NJDHYBOHFHLNBN-UHFFFAOYSA-N 0 0 240.306 2.507 50 0 BFAARN NC(=O)c1ccnc(/C=C/C2CCCCC2)c1 ZINC000426415236 224871747 /nfs/dbraw/zinc/87/17/47/224871747.db2.gz DADSVAUJNZNOTF-VOTSOKGWSA-N 0 0 230.311 2.774 50 0 BFAARN COCCc1cccc(-c2cnsc2)c1 ZINC000521398303 262711734 /nfs/dbraw/zinc/71/17/34/262711734.db2.gz ARGFMPCEUCYTAY-UHFFFAOYSA-N 0 0 219.309 2.999 50 0 BFAARN CC(C)=CC(=O)N(Cc1cccnc1)C(C)C ZINC000058572279 322939271 /nfs/dbraw/zinc/93/92/71/322939271.db2.gz WXJFOBGWFZKURG-UHFFFAOYSA-N 0 0 232.327 2.785 50 0 BFAARN O[C@@H]1C=C[C@@]23C=CC=C[C@@]2(CC=CC3)C1 ZINC000045071734 262790464 /nfs/dbraw/zinc/79/04/64/262790464.db2.gz QJHLWNOGCIAERA-HZSPNIEDSA-N 0 0 200.281 2.756 50 0 BFAARN COc1ccc(OC)c2c1[C@H]1[C@@H]3[C@H]1[C@H]2[C@@H]1C=C[C@H]31 ZINC000247876605 262791566 /nfs/dbraw/zinc/79/15/66/262791566.db2.gz HAIGLKKQMUZVAS-KITDTWEXSA-N 0 0 240.302 2.946 50 0 BFAARN O=C(NCCCOC1CCCCC1)C1CCC1 ZINC000039985536 527682914 /nfs/dbraw/zinc/68/29/14/527682914.db2.gz WWNNODFYKVFODW-UHFFFAOYSA-N 0 0 239.359 2.642 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N(C1CC1)C1CCCC1 ZINC000089920372 487884850 /nfs/dbraw/zinc/88/48/50/487884850.db2.gz PLVBODNSYBCJJQ-SKDRFNHKSA-N 0 0 207.317 2.576 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000089920472 487885389 /nfs/dbraw/zinc/88/53/89/487885389.db2.gz QCLFIMYJAVLOSV-MGAJPHDKSA-N 0 0 221.344 2.727 50 0 BFAARN Cc1cc(/C=C\c2ccncn2)cc(C)c1O ZINC000255378616 322927560 /nfs/dbraw/zinc/92/75/60/322927560.db2.gz IBUGYHIDLGNSBR-ARJAWSKDSA-N 0 0 226.279 2.969 50 0 BFAARN CC[C@@H](SC)C(=O)Nc1ccc(O)cc1F ZINC000097238717 322986499 /nfs/dbraw/zinc/98/64/99/322986499.db2.gz SHZZXGIEVITACG-SNVBAGLBSA-N 0 0 243.303 2.611 50 0 BFAARN Cc1n[nH]c(C)c1-c1ccc2cc[nH]c(=O)c2c1 ZINC000534645356 323156680 /nfs/dbraw/zinc/15/66/80/323156680.db2.gz DJUHLEKXWQVXHV-UHFFFAOYSA-N 0 0 239.278 2.947 50 0 BFAARN OCc1c[nH]c(-c2cc(Cl)cc(Cl)c2)n1 ZINC000038998711 323236369 /nfs/dbraw/zinc/23/63/69/323236369.db2.gz YXDKULBKNLIKFC-UHFFFAOYSA-N 0 0 243.093 2.876 50 0 BFAARN COC(C)(C)c1noc([C@H]2CC=CCC2)n1 ZINC000089775565 325669148 /nfs/dbraw/zinc/66/91/48/325669148.db2.gz KVWUSBCOUCYRSS-VIFPVBQESA-N 0 0 222.288 2.775 50 0 BFAARN CC(C)=C(F)c1nc(-c2ccncc2)no1 ZINC000158336798 326315772 /nfs/dbraw/zinc/31/57/72/326315772.db2.gz PKLVNWZRFIOUFY-UHFFFAOYSA-N 0 0 219.219 2.852 50 0 BFAARN C=CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000037007800 488002857 /nfs/dbraw/zinc/00/28/57/488002857.db2.gz ZGSWINWCGUWHEF-LLVKDONJSA-N 0 0 229.323 2.929 50 0 BFAARN c1cc(CNc2cccc3c2OCCO3)co1 ZINC000084358578 488047153 /nfs/dbraw/zinc/04/71/53/488047153.db2.gz YOLMRLWSJAQIRM-UHFFFAOYSA-N 0 0 231.251 2.663 50 0 BFAARN O=C(OCC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000084372020 488047562 /nfs/dbraw/zinc/04/75/62/488047562.db2.gz HJEMVJIDEKDIHW-LBPRGKRZSA-N 0 0 238.258 2.552 50 0 BFAARN CCCCC[C@H](C)NC(=O)NCC(C)C ZINC000084743051 488090431 /nfs/dbraw/zinc/09/04/31/488090431.db2.gz UJSTWHHUQGQRNN-NSHDSACASA-N 0 0 214.353 2.910 50 0 BFAARN Cc1nc(-c2ccn(C(C)C)n2)n(C(C)(C)C)n1 ZINC000670472251 487532429 /nfs/dbraw/zinc/53/24/29/487532429.db2.gz KYQZQSLXBGTSIU-UHFFFAOYSA-N 0 0 247.346 2.786 50 0 BFAARN CCCc1cnc(NCCc2nccs2)nc1 ZINC000670437470 487487124 /nfs/dbraw/zinc/48/71/24/487487124.db2.gz IOEQLVKTWVGJPO-UHFFFAOYSA-N 0 0 248.355 2.540 50 0 BFAARN CC(=O)c1c(C)cc2c3cccn3ccn21 ZINC000004675433 490268420 /nfs/dbraw/zinc/26/84/20/490268420.db2.gz RGEZDSAQKQBJPV-UHFFFAOYSA-N 0 0 212.252 2.703 50 0 BFAARN Cn1cc(-c2csc(C(C)(C)C)n2)cn1 ZINC000104142643 491069285 /nfs/dbraw/zinc/06/92/85/491069285.db2.gz UKDUDBUINARIQA-UHFFFAOYSA-N 0 0 221.329 2.841 50 0 BFAARN COC(=O)c1cc(F)cc(C)c1Cl ZINC000306937126 533841353 /nfs/dbraw/zinc/84/13/53/533841353.db2.gz KOWDYLBNZKLGDP-UHFFFAOYSA-N 0 0 202.612 2.574 50 0 BFAARN CCCc1c(C(=O)OCC)[nH]c2c1C(=O)CCC2 ZINC000004488768 517614488 /nfs/dbraw/zinc/61/44/88/517614488.db2.gz ZXSJHNOFPQCDGB-UHFFFAOYSA-N 0 0 249.310 2.663 50 0 BFAARN CC(C)CC(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000257177028 519581966 /nfs/dbraw/zinc/58/19/66/519581966.db2.gz DITMDJIVYFBDEK-AWEZNQCLSA-N 0 0 247.338 2.712 50 0 BFAARN CC(=O)N1N=CC[C@@H]1[C@@H]1[C@H](C)C=C(C)C[C@H]1C ZINC000239309726 519638230 /nfs/dbraw/zinc/63/82/30/519638230.db2.gz HUMGQYPYCXKRLK-HBJVGIJOSA-N 0 0 234.343 2.831 50 0 BFAARN CC(C)OCCCNc1nnc(C(C)(C)C)o1 ZINC000092064834 519764760 /nfs/dbraw/zinc/76/47/60/519764760.db2.gz IMFYNMIXCRHGHE-UHFFFAOYSA-N 0 0 241.335 2.594 50 0 BFAARN CCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1 ZINC000002856638 520659677 /nfs/dbraw/zinc/65/96/77/520659677.db2.gz XKBSFTRUJWQJAH-VXGBXAGGSA-N 0 0 235.327 2.759 50 0 BFAARN CCN(Cc1nc(C)c(C)o1)Cc1ccccn1 ZINC000089969322 521448720 /nfs/dbraw/zinc/44/87/20/521448720.db2.gz UCSNXGKDBBQDPJ-UHFFFAOYSA-N 0 0 245.326 2.709 50 0 BFAARN CCc1cnc(CSCc2cc(C)on2)o1 ZINC000089289623 522041680 /nfs/dbraw/zinc/04/16/80/522041680.db2.gz GFOQDTGYCLDCRO-UHFFFAOYSA-N 0 0 238.312 2.967 50 0 BFAARN CC[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000239339178 523996532 /nfs/dbraw/zinc/99/65/32/523996532.db2.gz LUMDRWWSKDYVFI-DRZSPHRISA-N 0 0 217.312 2.705 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)c2cccn2C)[C@H]1C ZINC000245237491 524313725 /nfs/dbraw/zinc/31/37/25/524313725.db2.gz KWPRIPGEVQVWIX-GRYCIOLGSA-N 0 0 234.343 2.580 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccccn2)[C@H]1C ZINC000248059926 524314149 /nfs/dbraw/zinc/31/41/49/524314149.db2.gz CWMQOLYRWYJRRD-GRYCIOLGSA-N 0 0 232.327 2.636 50 0 BFAARN Cc1cccc(CN[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000078640951 524436164 /nfs/dbraw/zinc/43/61/64/524436164.db2.gz AWFKASIBOIBOBT-LBPRGKRZSA-N 0 0 249.354 2.815 50 0 BFAARN Cc1cc(C)cc(OCCN(C)C(=O)C2CC2)c1 ZINC000040001090 524445862 /nfs/dbraw/zinc/44/58/62/524445862.db2.gz QKWAKVUYMAANQC-UHFFFAOYSA-N 0 0 247.338 2.551 50 0 BFAARN C[C@H](Cc1ccco1)NC(=O)C[C@H]1C=CCC1 ZINC000040074698 524744998 /nfs/dbraw/zinc/74/49/98/524744998.db2.gz PSQFORNGHDVYMZ-NEPJUHHUSA-N 0 0 233.311 2.683 50 0 BFAARN Cc1cc(Br)nn1C(C)C ZINC000072339540 526176894 /nfs/dbraw/zinc/17/68/94/526176894.db2.gz ABBVFXPIASJIAN-UHFFFAOYSA-N 0 0 203.083 2.535 50 0 BFAARN O=C(OCCCc1ccncc1)[C@@H]1CC=CCC1 ZINC000069189322 526418996 /nfs/dbraw/zinc/41/89/96/526418996.db2.gz DCIRSFOGIPZGEH-CQSZACIVSA-N 0 0 245.322 2.914 50 0 BFAARN OCC(F)(F)c1ccccc1Br ZINC000257822867 527522656 /nfs/dbraw/zinc/52/26/56/527522656.db2.gz FIYINHRBZIWYNZ-UHFFFAOYSA-N 0 0 237.043 2.533 50 0 BFAARN CC(C)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000334358470 534990517 /nfs/dbraw/zinc/99/05/17/534990517.db2.gz SRPWHWUYPFPSKE-VIFPVBQESA-N 0 0 219.275 2.679 50 0 BFAARN CC/C=C/CCn1nc(Br)nc1C ZINC000408525130 535236035 /nfs/dbraw/zinc/23/60/35/535236035.db2.gz MARZRFLNXLVNBM-SNAWJCMRSA-N 0 0 244.136 2.705 50 0 BFAARN CC/C=C\CCOC(=O)c1ccccc1O ZINC000004474602 535246389 /nfs/dbraw/zinc/24/63/89/535246389.db2.gz IEPWIPZLLIOZLU-ARJAWSKDSA-N 0 0 220.268 2.905 50 0 BFAARN CC1CCN(c2nncc3ccccc32)CC1 ZINC000000102572 535287147 /nfs/dbraw/zinc/28/71/47/535287147.db2.gz JCAGFOMFEBEORI-UHFFFAOYSA-N 0 0 227.311 2.866 50 0 BFAARN COc1ccc(N2C=CC(C)(C)NC2=S)cc1 ZINC000056656535 536665899 /nfs/dbraw/zinc/66/58/99/536665899.db2.gz UZMUICXYXXKMKL-UHFFFAOYSA-N 0 0 248.351 2.682 50 0 BFAARN O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCCC1 ZINC000067125193 582462512 /nfs/dbraw/zinc/46/25/12/582462512.db2.gz HLVOTBBKRZFXBS-QWHCGFSZSA-N 0 0 233.286 2.552 50 0 BFAARN O=C([C@H]1C[C@@H]1c1cccc(F)c1)N1CCCC1 ZINC000067125192 582462617 /nfs/dbraw/zinc/46/26/17/582462617.db2.gz HLVOTBBKRZFXBS-OLZOCXBDSA-N 0 0 233.286 2.552 50 0 BFAARN COC(=O)c1ccccc1-c1cncn1C(C)C ZINC000261115969 582898182 /nfs/dbraw/zinc/89/81/82/582898182.db2.gz HGRTXAQLDMPIGI-UHFFFAOYSA-N 0 0 244.294 2.918 50 0 BFAARN CC1(C)CN(C(=O)c2cc(C3CC3)n[nH]2)C1(C)C ZINC000080406322 582964217 /nfs/dbraw/zinc/96/42/17/582964217.db2.gz VCJJURFZZWPLDK-UHFFFAOYSA-N 0 0 247.342 2.548 50 0 BFAARN COc1cc(-c2ccc(C=O)c(F)c2)ccn1 ZINC000122663719 582966252 /nfs/dbraw/zinc/96/62/52/582966252.db2.gz VHEFHXYVNCHQIP-UHFFFAOYSA-N 0 0 231.226 2.709 50 0 BFAARN COc1cc(-c2cccc(F)c2C=O)ccn1 ZINC000395117590 583042055 /nfs/dbraw/zinc/04/20/55/583042055.db2.gz RXNCGYSMJIBMFN-UHFFFAOYSA-N 0 0 231.226 2.709 50 0 BFAARN C=CC(=O)N1CC[C@H](c2csc(C)c2)C1 ZINC000888098855 583180737 /nfs/dbraw/zinc/18/07/37/583180737.db2.gz UUMNKNJDDVBLRK-JTQLQIEISA-N 0 0 221.325 2.558 50 0 BFAARN C=CC(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000888098785 583181200 /nfs/dbraw/zinc/18/12/00/583181200.db2.gz PMNZXGOMIAOZRD-GFCCVEGCSA-N 0 0 217.268 2.519 50 0 BFAARN C=CC(=O)N[C@H]1C[C@@H](C)c2ccccc21 ZINC000888102394 583182743 /nfs/dbraw/zinc/18/27/43/583182743.db2.gz UNNDJBFQJLJXBU-SKDRFNHKSA-N 0 0 201.269 2.537 50 0 BFAARN C=CC(=O)N[C@@H]1C[C@@H](C)c2ccccc21 ZINC000888102391 583182810 /nfs/dbraw/zinc/18/28/10/583182810.db2.gz UNNDJBFQJLJXBU-BXKDBHETSA-N 0 0 201.269 2.537 50 0 BFAARN C[C@H]1CCN(c2nc(C3CC3)no2)[C@@H](C)C1 ZINC000685939599 583207431 /nfs/dbraw/zinc/20/74/31/583207431.db2.gz ZSHIWJNXTUWEIT-IUCAKERBSA-N 0 0 221.304 2.572 50 0 BFAARN C=CC(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000791349521 585978534 /nfs/dbraw/zinc/97/85/34/585978534.db2.gz SSKNOFNBUNEQNX-UHFFFAOYSA-N 0 0 235.714 2.674 50 0 BFAARN C=CC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000848979135 588422811 /nfs/dbraw/zinc/42/28/11/588422811.db2.gz FUJBPJDTSHGDLY-RKDXNWHRSA-N 0 0 235.249 2.657 50 0 BFAARN C=CC(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000848979306 588423074 /nfs/dbraw/zinc/42/30/74/588423074.db2.gz MKXFGKKAVSYNSM-UHFFFAOYSA-N 0 0 235.714 2.888 50 0 BFAARN C=CC(=O)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000863971161 589330151 /nfs/dbraw/zinc/33/01/51/589330151.db2.gz HLPIGZLNUDDGRU-CYBMUJFWSA-N 0 0 231.295 2.909 50 0 BFAARN C=CC(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000863971316 589330534 /nfs/dbraw/zinc/33/05/34/589330534.db2.gz OPWNTCYAQPAOAE-UHFFFAOYSA-N 0 0 233.286 2.660 50 0 BFAARN C=CC(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000863971346 589330804 /nfs/dbraw/zinc/33/08/04/589330804.db2.gz PPQWSVKACHGEKM-UHFFFAOYSA-N 0 0 239.677 2.550 50 0 BFAARN Fc1ccc(-c2noc(C3CSC3)n2)cc1 ZINC000864234648 589348238 /nfs/dbraw/zinc/34/82/38/589348238.db2.gz YJQQBIUSAAZZPT-UHFFFAOYSA-N 0 0 236.271 2.706 50 0 BFAARN Cc1cccc(NC(=O)[C@H](C)n2cccc2)c1 ZINC000130142086 592734376 /nfs/dbraw/zinc/73/43/76/592734376.db2.gz UARMHTFEZFIQHL-LBPRGKRZSA-N 0 0 228.295 2.996 50 0 BFAARN Cc1nc(/C=C2\C(=O)Nc3ccccc32)cs1 ZINC000009602198 592737257 /nfs/dbraw/zinc/73/72/57/592737257.db2.gz NPQPZBQWFWAJFT-WDZFZDKYSA-N 0 0 242.303 2.944 50 0 BFAARN C=CC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000199100616 634449592 /nfs/dbraw/zinc/44/95/92/634449592.db2.gz RSRJNVYRGZQIFE-LLVKDONJSA-N 0 0 219.284 2.909 50 0 BFAARN CCCCCCOC(=O)[C@H]1CN1C(C)(C)C ZINC000003194715 632677609 /nfs/dbraw/zinc/67/76/09/632677609.db2.gz TZEBWZNLIOCPDF-YNODCEANSA-N 0 0 227.348 2.593 50 0 BFAARN CCSc1nc2c(cc(C)c(O)c2C)[nH]1 ZINC000005061136 635196627 /nfs/dbraw/zinc/19/66/27/635196627.db2.gz LJOGHDBYTFSVED-UHFFFAOYSA-N 0 0 222.313 2.997 50 0 BFAARN C=CC(=O)Nc1ccn(C2CCCCC2)n1 ZINC000888098444 635375648 /nfs/dbraw/zinc/37/56/48/635375648.db2.gz HAYJHTPCVGVHIC-UHFFFAOYSA-N 0 0 219.288 2.513 50 0 BFAARN Cc1nn(-c2cc(C)cc(C)c2)cc1C=O ZINC000035778485 639923403 /nfs/dbraw/zinc/92/34/03/639923403.db2.gz SLAUPNWDBVVKAO-UHFFFAOYSA-N 0 0 214.268 2.610 50 0 BFAARN O[C@@H]1CCCC[C@H]1N1CCCc2ccccc21 ZINC000225110638 640662755 /nfs/dbraw/zinc/66/27/55/640662755.db2.gz YYBGJBFHLQOMBN-HUUCEWRRSA-N 0 0 231.339 2.743 50 0 BFAARN O=Cc1ccc(F)c(-c2ccncc2F)c1 ZINC000157499683 640688911 /nfs/dbraw/zinc/68/89/11/640688911.db2.gz HZDXODOLTNYGNT-UHFFFAOYSA-N 0 0 219.190 2.839 50 0 BFAARN CC(C)(C)c1nc(CNc2cncnc2)cs1 ZINC000232087918 641239472 /nfs/dbraw/zinc/23/94/72/641239472.db2.gz SRZMKUNGAVDXAA-UHFFFAOYSA-N 0 0 248.355 2.843 50 0 BFAARN CCC[C@H](C)C[NH2+][C@H](CC(C)C)C(=O)[O-] ZINC000043432827 641564333 /nfs/dbraw/zinc/56/43/33/641564333.db2.gz YWROCUZPDHDFNE-WDEREUQCSA-N 0 0 215.337 2.512 50 0 BFAARN CS/C=C/C(=O)N(C)[C@@H](C)c1ccco1 ZINC000075107579 641745556 /nfs/dbraw/zinc/74/55/56/641745556.db2.gz WZYQEFOBYBZVEP-ORZBULNSSA-N 0 0 225.313 2.676 50 0 BFAARN C/C=C/CSCC(=O)N[C@H](C)c1ccco1 ZINC000078797216 641955120 /nfs/dbraw/zinc/95/51/20/641955120.db2.gz UKNPALACWZRMNG-HMDXOVGESA-N 0 0 239.340 2.766 50 0 BFAARN O=C(/C=C\c1cccs1)Nc1cccnc1 ZINC000033315369 642055231 /nfs/dbraw/zinc/05/52/31/642055231.db2.gz CFWANZBETGRJIN-WAYWQWQTSA-N 0 0 230.292 2.795 50 0 BFAARN Cc1ccc2c(c1)sc(=NC(=O)C(C)C)n2C ZINC000254757403 642740430 /nfs/dbraw/zinc/74/04/30/642740430.db2.gz NYSUYSTZXGNEQY-UHFFFAOYSA-N 0 0 248.351 2.632 50 0 BFAARN CCOC(=O)/C=C/[C@@H]1C[C@H]1c1ccccc1 ZINC000000207744 642755316 /nfs/dbraw/zinc/75/53/16/642755316.db2.gz PEEFCGIMKBGSEH-VSONXHSHSA-N 0 0 216.280 2.909 50 0 BFAARN Cc1ccccc1C(=O)Oc1cccccc1=O ZINC000000441216 642773470 /nfs/dbraw/zinc/77/34/70/642773470.db2.gz DJHSZTLZURRXGS-UHFFFAOYSA-N 0 0 240.258 2.574 50 0 BFAARN Cc1cc(C)n(C(=O)CSc2ccccc2)n1 ZINC000001076090 642816264 /nfs/dbraw/zinc/81/62/64/642816264.db2.gz NHVNWIDOJSGVGY-UHFFFAOYSA-N 0 0 246.335 2.932 50 0 BFAARN CCc1ccc(OCCCn2ccnc2)cc1 ZINC000016667684 642981168 /nfs/dbraw/zinc/98/11/68/642981168.db2.gz DUJSJXQAPZMABU-UHFFFAOYSA-N 0 0 230.311 2.915 50 0 BFAARN Nc1cncc(-c2cccc(-c3cc[nH]n3)c2)c1 ZINC000019112982 643038724 /nfs/dbraw/zinc/03/87/24/643038724.db2.gz SMEDXWGJQWBSKZ-UHFFFAOYSA-N 0 0 236.278 2.721 50 0 BFAARN CCOCCC1(C(=O)NC2CCCC2)CCC1 ZINC000084801221 644432030 /nfs/dbraw/zinc/43/20/30/644432030.db2.gz ZJUULYFUDHMIMK-UHFFFAOYSA-N 0 0 239.359 2.642 50 0 BFAARN CCNC(=O)c1ccc(-c2ccncc2)s1 ZINC000952965557 644445540 /nfs/dbraw/zinc/44/55/40/644445540.db2.gz RPHXMMABJRKBAV-UHFFFAOYSA-N 0 0 232.308 2.560 50 0 BFAARN CCc1c(-c2cc(OC)ccc2OC)cnn1C ZINC000952978767 644449964 /nfs/dbraw/zinc/44/99/64/644449964.db2.gz ZQIPPMIAKWBYJF-UHFFFAOYSA-N 0 0 246.310 2.667 50 0 BFAARN C[C@H]1CCC(=O)C[C@@H]1OCC1CCCC1 ZINC000725363095 711664222 /nfs/dbraw/zinc/66/42/22/711664222.db2.gz XXIPUXAQWDOMNZ-GWCFXTLKSA-N 0 0 210.317 2.951 50 0 BFAARN CCC[C@@H]1CCC(=O)C[C@@H]1n1cccn1 ZINC000725360900 711664298 /nfs/dbraw/zinc/66/42/98/711664298.db2.gz KXQOGFZWZWWHDL-PWSUYJOCSA-N 0 0 206.289 2.594 50 0 BFAARN Nc1cc(Cl)c(Cl)cc1OCCF ZINC000231634138 711776458 /nfs/dbraw/zinc/77/64/58/711776458.db2.gz AXMJEVCCHSJWBZ-UHFFFAOYSA-N 0 0 224.062 2.924 50 0 BFAARN c1cnc(O[C@@H]2CCCc3ccccc32)nc1 ZINC000138004557 711787326 /nfs/dbraw/zinc/78/73/26/711787326.db2.gz TXMFNVMSPBQOAE-CYBMUJFWSA-N 0 0 226.279 2.933 50 0 BFAARN CC(C)(C)COc1nccc(Br)n1 ZINC000725345399 711924755 /nfs/dbraw/zinc/92/47/55/711924755.db2.gz OFYYGBBNYCEXQU-UHFFFAOYSA-N 0 0 245.120 2.664 50 0 BFAARN O=Cc1cccc(OCc2ccccc2)c1O ZINC000034444818 711958595 /nfs/dbraw/zinc/95/85/95/711958595.db2.gz IDQPYNNNKOORPJ-UHFFFAOYSA-N 0 0 228.247 2.784 50 0 BFAARN C=CC(=O)N[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000141055552 712145039 /nfs/dbraw/zinc/14/50/39/712145039.db2.gz LKPFVVUIGDXNNU-QJPTWQEYSA-N 0 0 207.317 2.648 50 0 BFAARN Cc1cc(-c2c(F)cccc2Cl)nc(N)n1 ZINC000200505498 970115319 /nfs/dbraw/zinc/11/53/19/970115319.db2.gz HVYMXGTXBMAWCN-UHFFFAOYSA-N 0 0 237.665 2.827 50 0 BFAARN CCOc1ccc(OCc2cnsn2)cc1 ZINC000585091169 972133250 /nfs/dbraw/zinc/13/32/50/972133250.db2.gz RKMKWCQBECJBKK-UHFFFAOYSA-N 0 0 236.296 2.516 50 0 BFAARN CCc1c[nH]c(S[C@@H](C)c2ncccn2)n1 ZINC000585133088 972168352 /nfs/dbraw/zinc/16/83/52/972168352.db2.gz SCPGEVRALCVGSF-QMMMGPOBSA-N 0 0 234.328 2.615 50 0 BFAARN O=C(C1CCC1)N1CC[C@H](c2ccsc2)C1 ZINC000675008224 960432249 /nfs/dbraw/zinc/43/22/49/960432249.db2.gz JJIYZTKAWZENHA-NSHDSACASA-N 0 0 235.352 2.864 50 0 BFAARN CC[C@@H](OC)C(=O)NC1(c2cccc(C)c2)CC1 ZINC000822551403 968525791 /nfs/dbraw/zinc/52/57/91/968525791.db2.gz IWJRMWPQWZRTRD-CYBMUJFWSA-N 0 0 247.338 2.525 50 0 BFAARN CCCn1nc(CC)nc1[C@@H](C)n1cccc1 ZINC000823032957 968541244 /nfs/dbraw/zinc/54/12/44/968541244.db2.gz CDFBSLPHPGOIBV-LLVKDONJSA-N 0 0 232.331 2.661 50 0 BFAARN Cc1nc(C)n(-c2ccc(C(F)(F)F)cc2)n1 ZINC000825292067 968639463 /nfs/dbraw/zinc/63/94/63/968639463.db2.gz NYOCYOKTCXYXBX-UHFFFAOYSA-N 0 0 241.216 2.903 50 0 BFAARN C[C@@H](Oc1cc2c(nn1)CCCC2)C1CC1 ZINC000585652570 973919711 /nfs/dbraw/zinc/91/97/11/973919711.db2.gz PLQHEXXEKWCGSZ-SECBINFHSA-N 0 0 218.300 2.533 50 0 BFAARN Cc1nccnc1O[C@H]1CCc2ccccc21 ZINC000585650908 973920775 /nfs/dbraw/zinc/92/07/75/973920775.db2.gz HRFWFHZUUZUDCQ-ZDUSSCGKSA-N 0 0 226.279 2.851 50 0 BFAARN Cc1nccc(O[C@@H]2CCc3ccccc32)n1 ZINC000585651769 973921619 /nfs/dbraw/zinc/92/16/19/973921619.db2.gz HDTRGQMRHIUNDX-CYBMUJFWSA-N 0 0 226.279 2.851 50 0 BFAARN Cc1nccnc1O[C@@H]1CCc2ccccc21 ZINC000585650905 973921994 /nfs/dbraw/zinc/92/19/94/973921994.db2.gz HRFWFHZUUZUDCQ-CYBMUJFWSA-N 0 0 226.279 2.851 50 0 BFAARN c1ccc(OCC2CC3(C2)CCOCC3)nc1 ZINC000585655236 973927865 /nfs/dbraw/zinc/92/78/65/973927865.db2.gz XYMLAPLHQODZQE-UHFFFAOYSA-N 0 0 233.311 2.667 50 0 BFAARN CC(C)c1nsc(Cn2cc(Cl)cn2)n1 ZINC000952850263 974049853 /nfs/dbraw/zinc/04/98/53/974049853.db2.gz WNGQRJQFWUTGBX-UHFFFAOYSA-N 0 0 242.735 2.560 50 0 BFAARN C/C(=C(/F)c1nc(-c2ccn(C)n2)no1)C1CC1 ZINC000952883032 974062114 /nfs/dbraw/zinc/06/21/14/974062114.db2.gz PRVSOKVXSHGORU-YFHOEESVSA-N 0 0 248.261 2.581 50 0 BFAARN C=CC(=O)N1CCC(C)(C)c2ccccc21 ZINC000952884729 974062219 /nfs/dbraw/zinc/06/22/19/974062219.db2.gz LGQKRBNIXYRNKI-UHFFFAOYSA-N 0 0 215.296 2.887 50 0 BFAARN COc1ccc(Nc2ccnc(C3CC3)n2)cn1 ZINC000670370361 987257754 /nfs/dbraw/zinc/25/77/54/987257754.db2.gz USPUWOLCAYDXJY-UHFFFAOYSA-N 0 0 242.282 2.501 50 0 BFAARN CSc1nc2cccc(Cl)c2c(=O)[nH]1 ZINC000888107218 987310494 /nfs/dbraw/zinc/31/04/94/987310494.db2.gz ZITFDQCQAZZFSI-UHFFFAOYSA-N 0 0 226.688 2.711 50 0 BFAARN CC[C@@H](C)n1nc(C)cc1NC(=O)c1cc[nH]c1 ZINC001506424481 988783841 /nfs/dbraw/zinc/78/38/41/988783841.db2.gz COORBPYMDRTSOE-SNVBAGLBSA-N 0 0 246.314 2.743 50 0 BFAARN CCc1c(C)noc1NC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC001529119057 990331760 /nfs/dbraw/zinc/33/17/60/990331760.db2.gz AYALGPAGQHVYRK-SCVCMEIPSA-N 0 0 246.310 2.696 50 0 BFAARN CCc1c(C)nn(C)c1NC(=O)C1CCCCC1 ZINC001529168643 990335096 /nfs/dbraw/zinc/33/50/96/990335096.db2.gz JNKLZOPCSVGTNN-UHFFFAOYSA-N 0 0 249.358 2.810 50 0 BFAARN CCC1(CC)C[C@@H]1CNc1ncc(C)c(N)n1 ZINC001529168043 990336305 /nfs/dbraw/zinc/33/63/05/990336305.db2.gz URLKOOIPJOVAGJ-SNVBAGLBSA-N 0 0 234.347 2.605 50 0 BFAARN C[C@@H](Nc1ccncc1F)C1=CCCCC1 ZINC001529190123 990338919 /nfs/dbraw/zinc/33/89/19/990338919.db2.gz FFJHQPWBQKXXIG-SNVBAGLBSA-N 0 0 220.291 2.943 50 0 BFAARN Cc1cc(O)ccc1CNC(=O)OC(C)(C)C ZINC001529596338 990355868 /nfs/dbraw/zinc/35/58/68/990355868.db2.gz UOKHBQSXDODJEX-UHFFFAOYSA-N 0 0 237.299 2.725 50 0 BFAARN Cc1cc(C)cc(OCC(=O)NC2CCCC2)c1 ZINC000014398503 177911097 /nfs/dbraw/zinc/91/10/97/177911097.db2.gz AUZZCBNLLZHEAL-UHFFFAOYSA-N 0 0 247.338 2.741 50 0 BFAARN Cc1ccc2nsnc2c1NC(=O)CC(C)C ZINC000004840134 136208153 /nfs/dbraw/zinc/20/81/53/136208153.db2.gz RMBROAFOXQZGCN-UHFFFAOYSA-N 0 0 249.339 2.984 50 0 BFAARN CC(C)(C)C(=O)Nc1cccc(F)c1F ZINC000058365031 398136370 /nfs/dbraw/zinc/13/63/70/398136370.db2.gz LGJXNPKFZIWWMN-UHFFFAOYSA-N 0 0 213.227 2.949 50 0 BFAARN Cc1cc(C)nc(NC(=O)CC2CCCC2)n1 ZINC000032735937 177938834 /nfs/dbraw/zinc/93/88/34/177938834.db2.gz INHZBNKZRNWWTD-UHFFFAOYSA-N 0 0 233.315 2.612 50 0 BFAARN Fc1ccc(/C=C\c2ccncn2)cc1 ZINC000213308417 349461858 /nfs/dbraw/zinc/46/18/58/349461858.db2.gz ZKKROFGWMPGQPN-UTCJRWHESA-N 0 0 200.216 2.786 50 0 BFAARN Cc1cc(CN(C)C(=O)c2ccccc2C)no1 ZINC000040505348 177970253 /nfs/dbraw/zinc/97/02/53/177970253.db2.gz YNINVIFOCBOWJE-UHFFFAOYSA-N 0 0 244.294 2.564 50 0 BFAARN CCCCNC(=O)Cc1ccc(CC)cc1 ZINC000071376283 398148098 /nfs/dbraw/zinc/14/80/98/398148098.db2.gz CJOLIXDGXHVULG-UHFFFAOYSA-N 0 0 219.328 2.708 50 0 BFAARN Cc1cc(CNC(=O)c2ccco2)ccc1F ZINC000011008612 178016542 /nfs/dbraw/zinc/01/65/42/178016542.db2.gz MZGUAWWREDMLTG-UHFFFAOYSA-N 0 0 233.242 2.657 50 0 BFAARN Cc1cc(CO)cc(C)c1Br ZINC000001043153 178046399 /nfs/dbraw/zinc/04/63/99/178046399.db2.gz DEDZNWRBWULRPT-UHFFFAOYSA-N 0 0 215.090 2.558 50 0 BFAARN Cc1cc(CSc2ccccn2)on1 ZINC000040024275 178053023 /nfs/dbraw/zinc/05/30/23/178053023.db2.gz DRONLYVJUFMOLQ-UHFFFAOYSA-N 0 0 206.270 2.670 50 0 BFAARN Cc1cc(CSc2cc(C)nc(C)n2)on1 ZINC000040090164 178053134 /nfs/dbraw/zinc/05/31/34/178053134.db2.gz MMJBDSXWRKEHEG-UHFFFAOYSA-N 0 0 235.312 2.682 50 0 BFAARN Cc1cc(Cl)c(C=O)c(=O)n1C1CCCC1 ZINC000019945117 178061027 /nfs/dbraw/zinc/06/10/27/178061027.db2.gz KAVANJIIBBGHIY-UHFFFAOYSA-N 0 0 239.702 2.738 50 0 BFAARN CCC(CC)C(=O)NCCc1ccc(F)cc1 ZINC000000465164 168337513 /nfs/dbraw/zinc/33/75/13/168337513.db2.gz KTQWIEXYUPUFHA-UHFFFAOYSA-N 0 0 237.318 2.921 50 0 biogenic BFAARN Cc1cc(Cl)nc(Br)c1 ZINC000021981908 178071974 /nfs/dbraw/zinc/07/19/74/178071974.db2.gz PDCBQYZKWWAKCG-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN Cc1cc(F)ccc1NC(=O)C1CCC1 ZINC000012976318 178088063 /nfs/dbraw/zinc/08/80/63/178088063.db2.gz NEPCBRKDIDZMQI-UHFFFAOYSA-N 0 0 207.248 2.873 50 0 BFAARN Cc1cc(F)ccc1NC1=NCCS1 ZINC000001045614 178089211 /nfs/dbraw/zinc/08/92/11/178089211.db2.gz FUWXIXFHPRDTSQ-UHFFFAOYSA-N 0 0 210.277 2.649 50 0 BFAARN Cc1cc(F)ccc1NC(=O)c1cccnc1 ZINC000001055223 178089918 /nfs/dbraw/zinc/08/99/18/178089918.db2.gz PYLWKSBLYCYISE-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN Cc1cc(F)ccc1NCc1csnn1 ZINC000036901954 178090271 /nfs/dbraw/zinc/09/02/71/178090271.db2.gz SCLKQDYSTIQXFR-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN Cc1cc(N)ccc1OC[C@@H]1CCCCO1 ZINC000014630483 178106350 /nfs/dbraw/zinc/10/63/50/178106350.db2.gz ODBCGBIXTCKZAF-LBPRGKRZSA-N 0 0 221.300 2.525 50 0 BFAARN Cc1cc(N2CCc3ccccc32)nc(C)n1 ZINC000032769728 178120586 /nfs/dbraw/zinc/12/05/86/178120586.db2.gz VIHNZQRVQZTRNI-UHFFFAOYSA-N 0 0 225.295 2.788 50 0 BFAARN Cc1cc(NC(=O)CC2CCCCC2)n[nH]1 ZINC000047232149 178126384 /nfs/dbraw/zinc/12/63/84/178126384.db2.gz HZYIYCPOYUFQLQ-UHFFFAOYSA-N 0 0 221.304 2.627 50 0 BFAARN Cc1cc(NC(=O)Cc2cccs2)ccn1 ZINC000072281119 178133841 /nfs/dbraw/zinc/13/38/41/178133841.db2.gz WZDAWCRDLJQJME-UHFFFAOYSA-N 0 0 232.308 2.633 50 0 BFAARN Cc1cc(NC(=O)N2CCCCCCC2)no1 ZINC000010277251 178135870 /nfs/dbraw/zinc/13/58/70/178135870.db2.gz ZLMOBUVAXPXSGP-UHFFFAOYSA-N 0 0 237.303 2.781 50 0 BFAARN Cc1cc(NC(=O)NC(C2CC2)C2CC2)ccn1 ZINC000096489204 178137553 /nfs/dbraw/zinc/13/75/53/178137553.db2.gz KEOVMBRQSCCLTB-UHFFFAOYSA-N 0 0 245.326 2.700 50 0 BFAARN COc1ccnc(-c2cccc3c2OCC3)c1 ZINC000426733984 398219881 /nfs/dbraw/zinc/21/98/81/398219881.db2.gz IDNYJANTBRDDLB-UHFFFAOYSA-N 0 0 227.263 2.692 50 0 BFAARN Cc1cc(NCc2ccc3c(c2)CCO3)no1 ZINC000083357286 178173293 /nfs/dbraw/zinc/17/32/93/178173293.db2.gz AMGPLOJGNRYSJS-UHFFFAOYSA-N 0 0 230.267 2.530 50 0 BFAARN CCC(CC)CN(CC)C(=O)c1cc(C)on1 ZINC000042919097 168348278 /nfs/dbraw/zinc/34/82/78/168348278.db2.gz NSHPMYLQNDVJOE-UHFFFAOYSA-N 0 0 238.331 2.881 50 0 BFAARN Cc1cc(NCc2ncccn2)ccc1F ZINC000061097566 178176678 /nfs/dbraw/zinc/17/66/78/178176678.db2.gz MXWSJHIIFJHSCO-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN Cc1cc(O)cc(C)c1NC(=O)c1ccccn1 ZINC000002568735 178199658 /nfs/dbraw/zinc/19/96/58/178199658.db2.gz KXXSODMBJQNMLQ-UHFFFAOYSA-N 0 0 242.278 2.656 50 0 BFAARN Cc1cc(=O)n2nc(-c3ccc(F)cc3)cc2[nH]1 ZINC000100536401 178200323 /nfs/dbraw/zinc/20/03/23/178200323.db2.gz KHWYKAJOFJOTEZ-UHFFFAOYSA-N 0 0 243.241 2.549 50 0 BFAARN Cc1cc(=O)[nH]c(C=Cc2cc(F)ccc2F)n1 ZINC000225792983 178201774 /nfs/dbraw/zinc/20/17/74/178201774.db2.gz DLTQRIUFQMVJEJ-GORDUTHDSA-N 0 0 248.232 2.939 50 0 BFAARN Cc1cc(OC(F)F)cc(Br)n1 ZINC000263624412 178207532 /nfs/dbraw/zinc/20/75/32/178207532.db2.gz QFCXREOMZXRHSN-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN Cc1cc(OCc2ncc(C(C)(C)C)o2)nn1C ZINC000095980754 178212949 /nfs/dbraw/zinc/21/29/49/178212949.db2.gz MRCMQOJYCPDBRO-UHFFFAOYSA-N 0 0 249.314 2.593 50 0 BFAARN Cc1ccoc1C(=O)NC1CCC(C)CC1 ZINC000021668370 538934825 /nfs/dbraw/zinc/93/48/25/538934825.db2.gz WMRSBQYKTVAALN-UHFFFAOYSA-N 0 0 221.300 2.897 50 0 BFAARN CCC(CC)CNC(=O)N[C@@H](C)c1cccnc1 ZINC000105087620 168355779 /nfs/dbraw/zinc/35/57/79/168355779.db2.gz UTLBOVDSUGBPIS-NSHDSACASA-N 0 0 249.358 2.878 50 0 BFAARN CCN(Cc1ncc(C)o1)c1cccc(O)c1 ZINC000170608654 361801279 /nfs/dbraw/zinc/80/12/79/361801279.db2.gz QAIQDBFRVRNASB-UHFFFAOYSA-N 0 0 232.283 2.715 50 0 BFAARN COc1cc(Br)cnc1Cl ZINC000014400986 259306034 /nfs/dbraw/zinc/30/60/34/259306034.db2.gz GFJMOZYIDADKLJ-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN Cc1cc([C@H]2CCCN2C(=O)C(C)(C)C)on1 ZINC000021718571 178266787 /nfs/dbraw/zinc/26/67/87/178266787.db2.gz QEQUUYYQXCPDQK-SNVBAGLBSA-N 0 0 236.315 2.693 50 0 BFAARN Cc1cc2n[nH]cc2cc1Br ZINC000014985785 178276985 /nfs/dbraw/zinc/27/69/85/178276985.db2.gz UTDBMGRTYFPTEC-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1nnc(CSCC2CCCC2)o1 ZINC000097138507 398243073 /nfs/dbraw/zinc/24/30/73/398243073.db2.gz INMLKWFCDBXQGV-UHFFFAOYSA-N 0 0 212.318 2.801 50 0 BFAARN Cc1cc2c(cc1C(F)(F)F)NCC2 ZINC000038526380 178284919 /nfs/dbraw/zinc/28/49/19/178284919.db2.gz SJDNGKSDFPRJQU-UHFFFAOYSA-N 0 0 201.191 2.982 50 0 BFAARN Cc1cc2ccccn2c1C(=O)C(F)(F)F ZINC000003193719 178299424 /nfs/dbraw/zinc/29/94/24/178299424.db2.gz BQBFZNVCQSRADE-UHFFFAOYSA-N 0 0 227.185 2.993 50 0 BFAARN Cc1cc2nccc(-c3ccc(F)cc3)n2n1 ZINC000005697974 178303655 /nfs/dbraw/zinc/30/36/55/178303655.db2.gz AWUHRMVOOVHZDH-UHFFFAOYSA-N 0 0 227.242 2.844 50 0 BFAARN Cc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 ZINC000023656503 178325044 /nfs/dbraw/zinc/32/50/44/178325044.db2.gz YKRIGVFHOUREPJ-UHFFFAOYSA-N 0 0 241.290 2.526 50 0 BFAARN Cc1ccc(-c2nc3cc(N)ccc3n2C)o1 ZINC000004543040 178337331 /nfs/dbraw/zinc/33/73/31/178337331.db2.gz ZJGUHSOEWQNPHF-UHFFFAOYSA-N 0 0 227.267 2.724 50 0 BFAARN Cc1ccc(-c2nc3ccccc3[nH]c2=O)cc1 ZINC000010013006 178337382 /nfs/dbraw/zinc/33/73/82/178337382.db2.gz DVQBUXHDDXOCOP-UHFFFAOYSA-N 0 0 236.274 2.899 50 0 BFAARN Cc1cc(-c2nc(-c3ccc(C)cc3)no2)n[nH]1 ZINC000008793595 178342151 /nfs/dbraw/zinc/34/21/51/178342151.db2.gz JCFYCZDDGSUPJH-UHFFFAOYSA-N 0 0 240.266 2.744 50 0 BFAARN Cc1ccc(-n2ncc3ccccc3c2=O)cc1 ZINC000002583605 178349803 /nfs/dbraw/zinc/34/98/03/178349803.db2.gz ZJWOALHADJZGJS-UHFFFAOYSA-N 0 0 236.274 2.694 50 0 BFAARN Cc1ccc(-c2csc(N)c2C(N)=O)cc1C ZINC000000371695 178330704 /nfs/dbraw/zinc/33/07/04/178330704.db2.gz KHKAAHCGWUFMLI-UHFFFAOYSA-N 0 0 246.335 2.713 50 0 BFAARN Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1 ZINC000016647653 178331578 /nfs/dbraw/zinc/33/15/78/178331578.db2.gz LYSYBTOKVNYKME-UHFFFAOYSA-N 0 0 240.306 2.624 50 0 BFAARN Cc1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C)c(C)c1 ZINC000032748068 538950670 /nfs/dbraw/zinc/95/06/70/538950670.db2.gz ARDGEESIKJTUTN-TZMCWYRMSA-N 0 0 231.339 2.918 50 0 BFAARN Cc1ccc(C(=O)N(C)Cc2ccco2)s1 ZINC000040459781 178378227 /nfs/dbraw/zinc/37/82/27/178378227.db2.gz SDHGLIZXSPVCDI-UHFFFAOYSA-N 0 0 235.308 2.922 50 0 BFAARN Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000000029225 178387116 /nfs/dbraw/zinc/38/71/16/178387116.db2.gz GKQYDTTVHXRDCO-GFCCVEGCSA-N 0 0 217.312 2.867 50 0 BFAARN CN(C)C(=O)C1c2ccccc2-c2ccccc21 ZINC000032719948 538950281 /nfs/dbraw/zinc/95/02/81/538950281.db2.gz FTHODANFSGACDE-UHFFFAOYSA-N 0 0 237.302 2.887 50 0 BFAARN CCC(=O)Nc1cc(C)nn1-c1cccc(C)c1 ZINC000032736027 538950313 /nfs/dbraw/zinc/95/03/13/538950313.db2.gz DJZYHRSOKUVUQG-UHFFFAOYSA-N 0 0 243.310 2.838 50 0 BFAARN Cc1ccc(C(=O)CN2CCC[C@@H](C)C2)cc1 ZINC000003306562 178372902 /nfs/dbraw/zinc/37/29/02/178372902.db2.gz CRZXEJPVYAEWNZ-CYBMUJFWSA-N 0 0 231.339 2.910 50 0 BFAARN COC(=O)c1sc(SC)c(C(C)=O)c1C ZINC000000096217 342673976 /nfs/dbraw/zinc/67/39/76/342673976.db2.gz NVFCQMZCVXQVON-UHFFFAOYSA-N 0 0 244.337 2.768 50 0 BFAARN CC[C@@H](C)NC(=O)COc1cccc(Cl)c1 ZINC000000094059 342674191 /nfs/dbraw/zinc/67/41/91/342674191.db2.gz NJVQUYFYUVZXCE-SECBINFHSA-N 0 0 241.718 2.634 50 0 BFAARN O=[N+]([O-])/C=C/c1cc(Br)cs1 ZINC000000101001 342674271 /nfs/dbraw/zinc/67/42/71/342674271.db2.gz HFKHRPZOEUWBPV-OWOJBTEDSA-N 0 0 234.074 2.758 50 0 BFAARN O=c1c(Cl)c(Cl)cnn1-c1ccccc1 ZINC000000119689 342675332 /nfs/dbraw/zinc/67/53/32/342675332.db2.gz VKWCOHVAHQOJGU-UHFFFAOYSA-N 0 0 241.077 2.539 50 0 BFAARN Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1 ZINC000000123087 342675740 /nfs/dbraw/zinc/67/57/40/342675740.db2.gz LLDIDGHVAUHMSE-UHFFFAOYSA-N 0 0 244.685 2.656 50 0 BFAARN CC1(C)CN=C(Nc2ccccc2)S1 ZINC000000135011 342676370 /nfs/dbraw/zinc/67/63/70/342676370.db2.gz YIPRTJZUHWOBBD-UHFFFAOYSA-N 0 0 206.314 2.980 50 0 BFAARN Cc1ccc(Cc2cnc(N)s2)cc1 ZINC000000146389 342677014 /nfs/dbraw/zinc/67/70/14/342677014.db2.gz UNEONQFTFXDSBD-UHFFFAOYSA-N 0 0 204.298 2.625 50 0 BFAARN CCOC(=O)/C=C/c1c[nH]c2ccccc12 ZINC000000156668 342677930 /nfs/dbraw/zinc/67/79/30/342677930.db2.gz OQJSITNIWIYWPU-BQYQJAHWSA-N 0 0 215.252 2.744 50 0 BFAARN O=C(c1ccco1)n1ccc(-c2cccs2)n1 ZINC000000156408 342678062 /nfs/dbraw/zinc/67/80/62/342678062.db2.gz VZGLZMOJLNHRIV-UHFFFAOYSA-N 0 0 244.275 2.893 50 0 BFAARN O=C(c1ccccn1)c1ccc2ccccc2n1 ZINC000000162753 342678276 /nfs/dbraw/zinc/67/82/76/342678276.db2.gz NCTFUSHEDTZFOU-UHFFFAOYSA-N 0 0 234.258 2.861 50 0 BFAARN COC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000000161365 342678300 /nfs/dbraw/zinc/67/83/00/342678300.db2.gz IBDYTWWXSCCQRL-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN Fc1ccc(-c2nnsc2Cl)cc1 ZINC000000168601 342678939 /nfs/dbraw/zinc/67/89/39/342678939.db2.gz FCNANLLBSCATLF-UHFFFAOYSA-N 0 0 214.652 2.998 50 0 BFAARN O=c1cc(-c2ccncc2)oc2ccccc12 ZINC000000193788 342679793 /nfs/dbraw/zinc/67/97/93/342679793.db2.gz WTKMIKUCGVSMDD-UHFFFAOYSA-N 0 0 223.231 2.855 50 0 BFAARN CCCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000000200909 342679940 /nfs/dbraw/zinc/67/99/40/342679940.db2.gz PFTUDPMBUUOMGI-SECBINFHSA-N 0 0 231.299 2.540 50 0 BFAARN CCN(CC)C(=O)COc1cc(C)ccc1C ZINC000000508860 342689145 /nfs/dbraw/zinc/68/91/45/342689145.db2.gz NKSKGHMQHDRYFU-UHFFFAOYSA-N 0 0 235.327 2.551 50 0 BFAARN O=S1(=O)c2ccccc2Nc2ccccc21 ZINC000000241316 342681171 /nfs/dbraw/zinc/68/11/71/342681171.db2.gz ZAYUOSICZWFJSW-UHFFFAOYSA-N 0 0 231.276 2.576 50 0 BFAARN CSc1nc(C)c2cc(C)ccc2n1 ZINC000000261059 342681660 /nfs/dbraw/zinc/68/16/60/342681660.db2.gz NTYZDBUXHZMUAM-UHFFFAOYSA-N 0 0 204.298 2.969 50 0 BFAARN O=[S@@](CCc1ccncc1)Cc1ccccc1 ZINC000000266209 342681717 /nfs/dbraw/zinc/68/17/17/342681717.db2.gz FVTOBLYXUBUPJA-QGZVFWFLSA-N 0 0 245.347 2.573 50 0 BFAARN NN=c1ccc2c(Cl)cc(Cl)c(O)c2[nH]1 ZINC000000266378 342681725 /nfs/dbraw/zinc/68/17/25/342681725.db2.gz GEMKVFRCPIKGPF-UHFFFAOYSA-N 0 0 244.081 2.533 50 0 BFAARN CC[C@@H](C)C(=O)Nc1nnc(CC(C)C)s1 ZINC000000268404 342681963 /nfs/dbraw/zinc/68/19/63/342681963.db2.gz ZYMCSVDWRMDYFI-MRVPVSSYSA-N 0 0 241.360 2.721 50 0 BFAARN CCSC(=O)c1cc2ccccc2oc1=O ZINC000000270862 342681977 /nfs/dbraw/zinc/68/19/77/342681977.db2.gz VLOZXPZNYWAUFB-UHFFFAOYSA-N 0 0 234.276 2.686 50 0 BFAARN Cc1cc(Br)c(C=O)s1 ZINC000000334112 342683576 /nfs/dbraw/zinc/68/35/76/342683576.db2.gz ZKIPMYBKNJQSKR-UHFFFAOYSA-N 0 0 205.076 2.632 50 0 BFAARN CCO[C@]12CCCC[C@@H]1C(=O)N2c1ccccc1 ZINC000000333303 342683674 /nfs/dbraw/zinc/68/36/74/342683674.db2.gz WMQKYGLGFAQUCD-UKRRQHHQSA-N 0 0 245.322 2.956 50 0 BFAARN Cc1ccc(N)c([C@H](O)c2ccccc2)c1 ZINC000000362966 342684815 /nfs/dbraw/zinc/68/48/15/342684815.db2.gz RFGHBTFPMINONZ-CQSZACIVSA-N 0 0 213.280 2.659 50 0 BFAARN CCC(CC)NC(=O)Cc1cccs1 ZINC000000031731 168379017 /nfs/dbraw/zinc/37/90/17/168379017.db2.gz MOVVOKYRWZRWIS-UHFFFAOYSA-N 0 0 211.330 2.595 50 0 BFAARN Cc1nnsc1C(=O)Nc1ccc(C)c(C)c1 ZINC000000385587 342685580 /nfs/dbraw/zinc/68/55/80/342685580.db2.gz HFLCVFNAHUTWHE-UHFFFAOYSA-N 0 0 247.323 2.716 50 0 BFAARN O=C(c1cnc2ccccn12)c1ccc(F)cc1 ZINC000000390174 342685806 /nfs/dbraw/zinc/68/58/06/342685806.db2.gz ZMNUBYAVBORKLX-UHFFFAOYSA-N 0 0 240.237 2.704 50 0 BFAARN NNc1c(Cl)cc(Cl)cc1Cl ZINC000000388223 342685849 /nfs/dbraw/zinc/68/58/49/342685849.db2.gz MULHANRBCQBHII-UHFFFAOYSA-N 0 0 211.479 2.932 50 0 BFAARN FC(F)Sc1nc2ccccc2[nH]1 ZINC000000531585 342689373 /nfs/dbraw/zinc/68/93/73/342689373.db2.gz GUCODYJAVBMOPG-UHFFFAOYSA-N 0 0 200.213 2.878 50 0 BFAARN COC(=O)CSCc1ccc(Cl)cc1 ZINC000000396310 342686360 /nfs/dbraw/zinc/68/63/60/342686360.db2.gz SOZGVMJZDNRJJE-UHFFFAOYSA-N 0 0 230.716 2.746 50 0 BFAARN CCCC(=O)OCc1ccc(OC)cc1 ZINC000000397605 342686489 /nfs/dbraw/zinc/68/64/89/342686489.db2.gz MEPOOZLETHNMSR-UHFFFAOYSA-N 0 0 208.257 2.539 50 0 endogenous,in-man BFAARN Cc1ccc(I)s1 ZINC000000403123 342686817 /nfs/dbraw/zinc/68/68/17/342686817.db2.gz NAZNQEXKAPLVKC-UHFFFAOYSA-N 0 0 224.066 2.661 50 0 BFAARN Cc1ccc(NC(=O)c2cccs2)cc1N ZINC000000411393 342687213 /nfs/dbraw/zinc/68/72/13/342687213.db2.gz MOENHNIOLUQALG-UHFFFAOYSA-N 0 0 232.308 2.891 50 0 BFAARN Cc1ccc(CC(=O)Nc2cccnc2)cc1 ZINC000000466026 342687894 /nfs/dbraw/zinc/68/78/94/342687894.db2.gz ZOYDVHXTTRUCKI-UHFFFAOYSA-N 0 0 226.279 2.571 50 0 BFAARN CC[C@]1(C)NC(=S)N(c2ccc(C)c(C)c2)N1 ZINC000000462741 342687915 /nfs/dbraw/zinc/68/79/15/342687915.db2.gz YPIPNSXZWPPCJX-CYBMUJFWSA-N 0 0 249.383 2.629 50 0 BFAARN CC(C)CC(=O)NC(=S)Nc1ccccc1 ZINC000000455680 342687965 /nfs/dbraw/zinc/68/79/65/342687965.db2.gz CXHQGLQUDWQZBH-UHFFFAOYSA-N 0 0 236.340 2.546 50 0 BFAARN COC(=O)Nc1ccc(C)cc1Br ZINC000000474214 342688242 /nfs/dbraw/zinc/68/82/42/342688242.db2.gz DIMRCPQVSZQRSC-UHFFFAOYSA-N 0 0 244.088 2.936 50 0 BFAARN CC(C)c1ncc([C@H](O)c2ccccc2)n1C ZINC000000525746 342689587 /nfs/dbraw/zinc/68/95/87/342689587.db2.gz PBOSUJQHYYRGHM-CYBMUJFWSA-N 0 0 230.311 2.625 50 0 BFAARN CC[C@H](Oc1ccccc1)C(=O)NC1CCCC1 ZINC000000035404 342670656 /nfs/dbraw/zinc/67/06/56/342670656.db2.gz MVCFXYGLRMSKCA-AWEZNQCLSA-N 0 0 247.338 2.903 50 0 BFAARN CCOc1ccc2c(C)cc(=O)oc2c1C ZINC000000068808 342672679 /nfs/dbraw/zinc/67/26/79/342672679.db2.gz OUVIJCNGGNDYHX-UHFFFAOYSA-N 0 0 218.252 2.809 50 0 BFAARN O=C(c1cc2ccccc2o1)N1CCCC1 ZINC000000620086 342690987 /nfs/dbraw/zinc/69/09/87/342690987.db2.gz ZKWGUCCQYRGCGP-UHFFFAOYSA-N 0 0 215.252 2.669 50 0 BFAARN Nc1ccc2c(c1)ncn2CCc1ccccc1 ZINC000001059832 342696583 /nfs/dbraw/zinc/69/65/83/342696583.db2.gz UZAMFIGPCWZECF-UHFFFAOYSA-N 0 0 237.306 2.861 50 0 BFAARN O=C1CCCCCN1Cc1ccccc1 ZINC000001406266 342699999 /nfs/dbraw/zinc/69/99/99/342699999.db2.gz DJGIITKNTHQYPX-UHFFFAOYSA-N 0 0 203.285 2.589 50 0 BFAARN COc1ccc2c(c1)[C@H]1CN=C3CCCC[C@@]31O2 ZINC000096027963 342702893 /nfs/dbraw/zinc/70/28/93/342702893.db2.gz DRKPIHKTIRPCSV-DOMZBBRYSA-N 0 0 243.306 2.939 50 0 BFAARN CCC(CC)NC(=O)[C@@H](C)Oc1ccccc1 ZINC000000031778 168381534 /nfs/dbraw/zinc/38/15/34/168381534.db2.gz CZWNJQMOHJBILR-LLVKDONJSA-N 0 0 235.327 2.759 50 0 BFAARN CC(C)C(=O)OC/C=C/c1ccccc1 ZINC000001677801 342708479 /nfs/dbraw/zinc/70/84/79/342708479.db2.gz KLKQSZIWHVEARN-RMKNXTFCSA-N 0 0 204.269 2.899 50 0 BFAARN Nc1nc2cc(Cl)c(Cl)cc2o1 ZINC000001998522 342714150 /nfs/dbraw/zinc/71/41/50/342714150.db2.gz IHWQUKMGROAAEH-UHFFFAOYSA-N 0 0 203.028 2.717 50 0 BFAARN CCCCCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000002057678 342715517 /nfs/dbraw/zinc/71/55/17/342715517.db2.gz LZCJIBUYZBWJBF-UHFFFAOYSA-N 0 0 249.310 2.992 50 0 BFAARN CC(C)(C)NC(=O)CCC(=O)c1ccccc1 ZINC000002180778 342716668 /nfs/dbraw/zinc/71/66/68/342716668.db2.gz BOVWBFSNTINPOS-UHFFFAOYSA-N 0 0 233.311 2.564 50 0 BFAARN Cn1cc(C(=O)C(F)(F)F)c2ccccc21 ZINC000004053147 342741217 /nfs/dbraw/zinc/74/12/17/342741217.db2.gz ICMIXFPYWFUAAL-UHFFFAOYSA-N 0 0 227.185 2.923 50 0 BFAARN CCN1C(=O)c2ccccc2NC12CCCC2 ZINC000004054731 342741368 /nfs/dbraw/zinc/74/13/68/342741368.db2.gz ZYRVQFHGTMUACN-UHFFFAOYSA-N 0 0 230.311 2.845 50 0 BFAARN Fc1ccc(-n2ncc3c2ncnc3Cl)cc1 ZINC000004205377 342744127 /nfs/dbraw/zinc/74/41/27/342744127.db2.gz GBKPQRDTVISISD-UHFFFAOYSA-N 0 0 248.648 2.608 50 0 BFAARN CC(C)c1ccc(-c2cc(N)n[nH]2)cc1 ZINC000004234704 342744960 /nfs/dbraw/zinc/74/49/60/342744960.db2.gz KGXUXWIBKBBFHN-UHFFFAOYSA-N 0 0 201.273 2.782 50 0 BFAARN COC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000004261951 342745664 /nfs/dbraw/zinc/74/56/64/342745664.db2.gz QJOOIMSFFIUFKX-FSPLSTOPSA-N 0 0 223.099 2.751 50 0 BFAARN O=C1CCCc2ccc(Br)cc21 ZINC000004287549 342745888 /nfs/dbraw/zinc/74/58/88/342745888.db2.gz YGVDCGFUUUJCDF-UHFFFAOYSA-N 0 0 225.085 2.968 50 0 in-vitro BFAARN Cc1[nH]c(=S)[nH]c1Cc1ccc(O)cc1 ZINC000004343192 342746846 /nfs/dbraw/zinc/74/68/46/342746846.db2.gz WOFYYOWIXXRSHN-UHFFFAOYSA-N 0 0 220.297 2.677 50 0 BFAARN Nc1ccc2ncc(Br)cc2c1 ZINC000004342645 342746854 /nfs/dbraw/zinc/74/68/54/342746854.db2.gz XOXNGIYWQRRRPW-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Nc1ccccc1C(=O)Cc1cccs1 ZINC000004343010 342746893 /nfs/dbraw/zinc/74/68/93/342746893.db2.gz VUKQCPUOORRJNJ-UHFFFAOYSA-N 0 0 217.293 2.756 50 0 BFAARN Cc1c(Cl)cccc1NC(=O)c1ccn(C)n1 ZINC000004546880 342749038 /nfs/dbraw/zinc/74/90/38/342749038.db2.gz PECDNMHDXLVIEU-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN NN=c1[nH]c2c(cc(Cl)cc2Cl)s1 ZINC000002455664 342721089 /nfs/dbraw/zinc/72/10/89/342721089.db2.gz PSWGGTWZGYTYGO-UHFFFAOYSA-N 0 0 234.111 2.889 50 0 BFAARN CCC(CC)NC(=O)c1cccnc1SC ZINC000032666554 168385388 /nfs/dbraw/zinc/38/53/88/168385388.db2.gz APNBLRQSPQTEIL-UHFFFAOYSA-N 0 0 238.356 2.722 50 0 BFAARN Clc1ccc(Cl)c(CC2OCCO2)c1 ZINC000002529055 342722864 /nfs/dbraw/zinc/72/28/64/342722864.db2.gz XOHXLODPKNJRJD-UHFFFAOYSA-N 0 0 233.094 2.909 50 0 BFAARN Nc1nc(-c2cc(Cl)ccc2O)cs1 ZINC000002533983 342723179 /nfs/dbraw/zinc/72/31/79/342723179.db2.gz GEOOPKWUGRNKDU-UHFFFAOYSA-N 0 0 226.688 2.751 50 0 BFAARN Cn1c(=S)[nH]nc1[C@H]1C[C@@H]1c1ccccc1 ZINC000002536726 342723329 /nfs/dbraw/zinc/72/33/29/342723329.db2.gz DHIIASXOBAVUMS-ZJUUUORDSA-N 0 0 231.324 2.749 50 0 BFAARN CCCCCC(=O)CP(=O)(OC)OC ZINC000002539249 342723386 /nfs/dbraw/zinc/72/33/86/342723386.db2.gz LQZCYXCHWNQBKX-UHFFFAOYSA-N 0 0 222.221 2.622 50 0 BFAARN COC(=O)Cc1ccc(Cl)cc1Cl ZINC000002566210 342724614 /nfs/dbraw/zinc/72/46/14/342724614.db2.gz SRCVNBFTEARRJY-UHFFFAOYSA-N 0 0 219.067 2.709 50 0 BFAARN O=C(c1ccc(F)cc1F)C(F)(F)F ZINC000002579837 342725597 /nfs/dbraw/zinc/72/55/97/342725597.db2.gz JMRMOPRHHLTLDG-UHFFFAOYSA-N 0 0 210.101 2.710 50 0 BFAARN O=C(CCCOc1ccccc1)N1CCCCC1 ZINC000002739627 342726826 /nfs/dbraw/zinc/72/68/26/342726826.db2.gz JYQLTFKPZPHOIH-UHFFFAOYSA-N 0 0 247.338 2.858 50 0 BFAARN Cc1occc1C(=O)NCCCc1ccccc1 ZINC000002747375 342727028 /nfs/dbraw/zinc/72/70/28/342727028.db2.gz PKUWMTTUSBWEFC-UHFFFAOYSA-N 0 0 243.306 2.951 50 0 BFAARN CN(C)c1cccc2c(C=O)ccc(N(C)C)c21 ZINC000002895377 342727837 /nfs/dbraw/zinc/72/78/37/342727837.db2.gz FGPIRLWHNADLTJ-UHFFFAOYSA-N 0 0 242.322 2.784 50 0 BFAARN NN=c1nc[nH]c2scc(-c3cccs3)c21 ZINC000003335859 342732718 /nfs/dbraw/zinc/73/27/18/342732718.db2.gz CQVXHINAFBAJIS-UHFFFAOYSA-N 0 0 248.336 2.705 50 0 BFAARN CC[S@](=O)c1ccc2ccccc2c1 ZINC000004761312 342751804 /nfs/dbraw/zinc/75/18/04/342751804.db2.gz VEFQTQCAYJJXIT-CQSZACIVSA-N 0 0 204.294 2.967 50 0 BFAARN O=[S@]1CCCS[C@@H]1c1ccccc1 ZINC000004800544 342752366 /nfs/dbraw/zinc/75/23/66/342752366.db2.gz JLNVOXAMHSCFHV-GXFFZTMASA-N 0 0 212.339 2.571 50 0 BFAARN CCCCC(=O)NCCc1ccc(F)cc1 ZINC000004814258 342752557 /nfs/dbraw/zinc/75/25/57/342752557.db2.gz ZRLDRUBDHWBLKK-UHFFFAOYSA-N 0 0 223.291 2.675 50 0 BFAARN CCCCCNC(=O)c1cccc(N(C)C)c1 ZINC000005261187 342760803 /nfs/dbraw/zinc/76/08/03/342760803.db2.gz GGRACPNOCDAMEH-UHFFFAOYSA-N 0 0 234.343 2.673 50 0 BFAARN Nc1c(Cl)cc(Cl)c(N)c1Cl ZINC000005510798 342765061 /nfs/dbraw/zinc/76/50/61/342765061.db2.gz XIYZGUDKXQSHCJ-UHFFFAOYSA-N 0 0 211.479 2.811 50 0 BFAARN COc1ccc(Cl)c2c1CCCC2=O ZINC000038888969 538967906 /nfs/dbraw/zinc/96/79/06/538967906.db2.gz LRRYWUSMKNJHTH-UHFFFAOYSA-N 0 0 210.660 2.868 50 0 BFAARN Cc1cc(C)nc(NC(=O)Cc2ccccc2)c1 ZINC000005935306 342771798 /nfs/dbraw/zinc/77/17/98/342771798.db2.gz KIHFXWBKWYNVPC-UHFFFAOYSA-N 0 0 240.306 2.880 50 0 BFAARN Fc1ccc2[nH]c3c(ncnc3Cl)c2c1 ZINC000005997798 342772321 /nfs/dbraw/zinc/77/23/21/342772321.db2.gz JJDNZPROOPECEV-UHFFFAOYSA-N 0 0 221.622 2.904 50 0 BFAARN O=[S@](CCc1ccncc1)Cc1ccccc1 ZINC000006499302 342778500 /nfs/dbraw/zinc/77/85/00/342778500.db2.gz FVTOBLYXUBUPJA-KRWDZBQOSA-N 0 0 245.347 2.573 50 0 BFAARN Cn1c(CCC2CCCCC2)n[nH]c1=S ZINC000006056869 342773380 /nfs/dbraw/zinc/77/33/80/342773380.db2.gz ZMFPKCOJBOPVAJ-UHFFFAOYSA-N 0 0 225.361 2.991 50 0 BFAARN Cc1cccnc1NC(=S)NC1CCCC1 ZINC000004741274 342751576 /nfs/dbraw/zinc/75/15/76/342751576.db2.gz HOSNDKZUWHGYIM-UHFFFAOYSA-N 0 0 235.356 2.619 50 0 BFAARN F[C@@H](OC(F)(F)F)C(F)(F)Br ZINC000008698311 342802366 /nfs/dbraw/zinc/80/23/66/342802366.db2.gz PJLXAVKTUMSCKH-SFOWXEAESA-N 0 0 246.932 2.806 50 0 BFAARN Cn1nc(-c2ccccc2)c(O)cc1=S ZINC000006557160 342779382 /nfs/dbraw/zinc/77/93/82/342779382.db2.gz DPSXSFFVYZBGGF-UHFFFAOYSA-N 0 0 218.281 2.522 50 0 BFAARN CC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006692460 342780862 /nfs/dbraw/zinc/78/08/62/342780862.db2.gz YOTPJLYOOXQHKX-UHFFFAOYSA-N 0 0 245.200 2.623 50 0 BFAARN CCOc1ccc(N)cc1C(F)(F)F ZINC000006678521 342780914 /nfs/dbraw/zinc/78/09/14/342780914.db2.gz YAIGBJRRAPBODW-UHFFFAOYSA-N 0 0 205.179 2.686 50 0 BFAARN CCCCS(=O)(=O)NC1CCCCCCC1 ZINC000006700149 342781078 /nfs/dbraw/zinc/78/10/78/342781078.db2.gz RYEZCYUIKJKZKA-UHFFFAOYSA-N 0 0 247.404 2.819 50 0 BFAARN C[C@H](NC(=O)CCC1CCCC1)[C@H]1CCCO1 ZINC000006700189 342781087 /nfs/dbraw/zinc/78/10/87/342781087.db2.gz SJULNWDEBXCCME-WCQYABFASA-N 0 0 239.359 2.641 50 0 BFAARN Cc1ccc(NC(=O)NC[C@@H]2CCCO2)c(C)c1 ZINC000006727107 342781570 /nfs/dbraw/zinc/78/15/70/342781570.db2.gz UNHDRQSWFCWUIY-LBPRGKRZSA-N 0 0 248.326 2.604 50 0 BFAARN CCOc1ccccc1NC(=O)Nc1ccon1 ZINC000006728959 342781767 /nfs/dbraw/zinc/78/17/67/342781767.db2.gz CMPITCPKPPOARA-UHFFFAOYSA-N 0 0 247.254 2.717 50 0 BFAARN CC[C@H](C)NC(=O)CSCc1ccccc1 ZINC000006934232 342786718 /nfs/dbraw/zinc/78/67/18/342786718.db2.gz CAYJEHBMEUYIQZ-NSHDSACASA-N 0 0 237.368 2.835 50 0 BFAARN Cc1ccc(NC(=O)C(C)(C)C)cc1N ZINC000008703519 342802879 /nfs/dbraw/zinc/80/28/79/342802879.db2.gz UHNNTGYFUFVUQV-UHFFFAOYSA-N 0 0 206.289 2.562 50 0 BFAARN CCCCCn1c2ccccc2[nH]c1=O ZINC000002713419 342791978 /nfs/dbraw/zinc/79/19/78/342791978.db2.gz VDBICZQGOMZXJT-UHFFFAOYSA-N 0 0 204.273 2.520 50 0 BFAARN C[C@H](Nc1ncnc2nc[nH]c21)c1ccccc1 ZINC000002719610 342792218 /nfs/dbraw/zinc/79/22/18/342792218.db2.gz OPBOKLRORBKBAN-VIFPVBQESA-N 0 0 239.282 2.526 50 0 aggregator BFAARN CCCC(CCC)C(=O)NCc1ccccn1 ZINC000008714255 342803243 /nfs/dbraw/zinc/80/32/43/342803243.db2.gz UQFAHDJERLHPCA-UHFFFAOYSA-N 0 0 234.343 2.914 50 0 BFAARN CC(C)c1ccsc1C(=O)Nc1cnccn1 ZINC000097379855 342795767 /nfs/dbraw/zinc/79/57/67/342795767.db2.gz JLAIUZRJBIRODJ-UHFFFAOYSA-N 0 0 247.323 2.914 50 0 BFAARN Cc1ccc(NC(=O)c2cccc(O)c2)cc1 ZINC000009503610 342819386 /nfs/dbraw/zinc/81/93/86/342819386.db2.gz PTWBIHKNVHUCSO-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN OCCCCOc1cccc(Br)c1 ZINC000035650246 342804130 /nfs/dbraw/zinc/80/41/30/342804130.db2.gz OLSCCVCNHXJADN-UHFFFAOYSA-N 0 0 245.116 2.600 50 0 BFAARN CC[C@@H](C)Cn1c2ccccc2nc1CCO ZINC000008786051 342804936 /nfs/dbraw/zinc/80/49/36/342804936.db2.gz OOJUWOLZPKRRCN-LLVKDONJSA-N 0 0 232.327 2.617 50 0 BFAARN Cc1ccc(F)cc1NC(=O)C1CCC1 ZINC000008848125 342805216 /nfs/dbraw/zinc/80/52/16/342805216.db2.gz PPYORDBDZQVTHR-UHFFFAOYSA-N 0 0 207.248 2.873 50 0 BFAARN C(c1nc(C2CC2)no1)N1CCCCCCC1 ZINC000044711255 538990117 /nfs/dbraw/zinc/99/01/17/538990117.db2.gz IBIBZWYZXPNNJQ-UHFFFAOYSA-N 0 0 235.331 2.713 50 0 BFAARN C[C@H](NC(=O)NC1CC1)c1cc2ccccc2o1 ZINC000010036054 342831509 /nfs/dbraw/zinc/83/15/09/342831509.db2.gz RLJOQOJOSWBRKR-VIFPVBQESA-N 0 0 244.294 2.955 50 0 BFAARN Cc1ccc(CCC(=O)NC(C)(C)C)cc1 ZINC000010336404 342835646 /nfs/dbraw/zinc/83/56/46/342835646.db2.gz XVIJJAVDUUOGAF-UHFFFAOYSA-N 0 0 219.328 2.842 50 0 BFAARN Cc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000010338894 342835713 /nfs/dbraw/zinc/83/57/13/342835713.db2.gz OWISSMIFCDKGOK-UHFFFAOYSA-N 0 0 217.312 2.550 50 0 BFAARN CC(=O)N1CCC(Oc2c(C)cccc2C)CC1 ZINC000046395655 538995344 /nfs/dbraw/zinc/99/53/44/538995344.db2.gz VQAAABUTOCCSQI-UHFFFAOYSA-N 0 0 247.338 2.693 50 0 BFAARN Nc1ccc2c(c1)C[N@@H+](CCc1ccccc1)C2 ZINC000011731073 342842721 /nfs/dbraw/zinc/84/27/21/342842721.db2.gz PXIZBQZMOOIXAP-UHFFFAOYSA-N 0 0 238.334 2.827 50 0 BFAARN CCOc1ccc2c(c1)[C@@H](O)CC(C)(C)O2 ZINC000011568130 342841559 /nfs/dbraw/zinc/84/15/59/342841559.db2.gz BZBKSEGFBFWCKO-NSHDSACASA-N 0 0 222.284 2.680 50 0 BFAARN Cc1sc2[nH]cnc(=O)c2c1-c1ccccc1 ZINC000011919314 342844650 /nfs/dbraw/zinc/84/46/50/342844650.db2.gz RKCANXOFEMKLEZ-UHFFFAOYSA-N 0 0 242.303 2.960 50 0 BFAARN CC(C)Cn1c2ccccc2nc1CCCO ZINC000012382417 342850692 /nfs/dbraw/zinc/85/06/92/342850692.db2.gz BMXGJPJVPRUCDE-UHFFFAOYSA-N 0 0 232.327 2.617 50 0 BFAARN Nc1cnc2c(-c3ccc(Cl)cc3)cnn2c1 ZINC000012396089 342851248 /nfs/dbraw/zinc/85/12/48/342851248.db2.gz DOVWLZTXIAQREG-UHFFFAOYSA-N 0 0 244.685 2.632 50 0 BFAARN Nc1ccccc1/C=C1/c2ccccc2NC1=O ZINC000012420987 342852094 /nfs/dbraw/zinc/85/20/94/342852094.db2.gz XVNZRLIIZWMRDT-XFXZXTDPSA-N 0 0 236.274 2.762 50 0 BFAARN CC(C)CC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000020371709 342853788 /nfs/dbraw/zinc/85/37/88/342853788.db2.gz GFDGAQMUZDDIDW-UHFFFAOYSA-N 0 0 247.342 2.666 50 0 BFAARN CC[C@@H](C)NC(=O)c1coc(Br)c1 ZINC000012906157 342860822 /nfs/dbraw/zinc/86/08/22/342860822.db2.gz XXTRBRCFVQAEHW-ZCFIWIBFSA-N 0 0 246.104 2.570 50 0 BFAARN O=C(CCc1ccc(Cl)cc1)N1CCCC1 ZINC000012977159 342862120 /nfs/dbraw/zinc/86/21/20/342862120.db2.gz PUGZRBBMOYJWEW-UHFFFAOYSA-N 0 0 237.730 2.895 50 0 BFAARN O=C(c1ccccc1O)N1CCCCCCC1 ZINC000012978858 342862366 /nfs/dbraw/zinc/86/23/66/342862366.db2.gz LYSXLWZBDYETHN-UHFFFAOYSA-N 0 0 233.311 2.799 50 0 BFAARN COC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000013327607 342865789 /nfs/dbraw/zinc/86/57/89/342865789.db2.gz ZDMBFIBGJQILPI-UHFFFAOYSA-N 0 0 245.662 2.536 50 0 BFAARN O=c1nc(-c2ccccc2)[nH]c2ccsc21 ZINC000013398815 342866648 /nfs/dbraw/zinc/86/66/48/342866648.db2.gz IQFQFNJSTCCSSP-UHFFFAOYSA-N 0 0 228.276 2.652 50 0 BFAARN Cc1nc(C)c(C(=O)N2CCCCCC2)s1 ZINC000034511233 346868782 /nfs/dbraw/zinc/86/87/82/346868782.db2.gz BGBGQAUZBIVABI-UHFFFAOYSA-N 0 0 238.356 2.776 50 0 BFAARN Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000012899571 342860545 /nfs/dbraw/zinc/86/05/45/342860545.db2.gz JOEOFLMHVXVMRF-UHFFFAOYSA-N 0 0 236.658 2.768 50 0 BFAARN CCc1cc(=O)oc2c(C)c(O)c(C(C)=O)cc12 ZINC000012899283 342860605 /nfs/dbraw/zinc/86/06/05/342860605.db2.gz IZBIJJZGQXKOTC-UHFFFAOYSA-N 0 0 246.262 2.572 50 0 biogenic BFAARN COc1ccc(C)nc1NC(=O)C[C@H]1C=CCC1 ZINC000096445660 398318196 /nfs/dbraw/zinc/31/81/96/398318196.db2.gz XRSWDBNAODVZQX-NSHDSACASA-N 0 0 246.310 2.693 50 0 BFAARN CC[C@@H](C)NC(=O)COc1cc(C)cc(C)c1 ZINC000014396995 342880166 /nfs/dbraw/zinc/88/01/66/342880166.db2.gz RYRBQMYTPDGTSS-GFCCVEGCSA-N 0 0 235.327 2.597 50 0 BFAARN CCCCCCNC(=O)Nc1cccnc1 ZINC000032841358 342881933 /nfs/dbraw/zinc/88/19/33/342881933.db2.gz YFUZSCMWYXTVPS-UHFFFAOYSA-N 0 0 221.304 2.783 50 0 BFAARN Cc1ccc(N)c(Oc2cccnc2)c1 ZINC000014629809 342882827 /nfs/dbraw/zinc/88/28/27/342882827.db2.gz UNEQWNGQBQNGHZ-UHFFFAOYSA-N 0 0 200.241 2.765 50 0 BFAARN Nc1cccc(Cl)c1OC[C@H]1CCCCO1 ZINC000014629226 342882850 /nfs/dbraw/zinc/88/28/50/342882850.db2.gz LQSKRGNJICEUBA-SECBINFHSA-N 0 0 241.718 2.870 50 0 BFAARN CONC(=O)c1sccc1-c1ccccc1 ZINC000032848418 342883615 /nfs/dbraw/zinc/88/36/15/342883615.db2.gz VXHCCRAZJLPQAD-UHFFFAOYSA-N 0 0 233.292 2.706 50 0 BFAARN Nc1ccc(SCCc2ccccn2)cc1 ZINC000016391890 342910283 /nfs/dbraw/zinc/91/02/83/342910283.db2.gz KCDXOOIWMOCDAL-UHFFFAOYSA-N 0 0 230.336 2.999 50 0 BFAARN CC[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000048199733 342900314 /nfs/dbraw/zinc/90/03/14/342900314.db2.gz TXHYQOIEZWGOTE-CHWSQXEVSA-N 0 0 239.359 2.594 50 0 BFAARN C[C@@H](C1CC1)N(C)c1ncnc2ccsc21 ZINC000032906790 342901692 /nfs/dbraw/zinc/90/16/92/342901692.db2.gz LSGZSUHZIDMBKU-QMMMGPOBSA-N 0 0 233.340 2.926 50 0 BFAARN Cc1ccc(NC(=O)[C@@H]2CC2(C)C)cc1 ZINC000003162382 346872198 /nfs/dbraw/zinc/87/21/98/346872198.db2.gz DHKDXOPXQOLGJT-NSHDSACASA-N 0 0 203.285 2.980 50 0 BFAARN Cc1cc(C)cc(NS(=O)(=O)CC(C)C)c1 ZINC000016972596 342918436 /nfs/dbraw/zinc/91/84/36/342918436.db2.gz FLAOTGWBNIMRKK-UHFFFAOYSA-N 0 0 241.356 2.701 50 0 BFAARN COC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000016973627 342918494 /nfs/dbraw/zinc/91/84/94/342918494.db2.gz SFNXXHCNMGZERC-LURJTMIESA-N 0 0 249.093 2.934 50 0 BFAARN Cc1nnsc1C(=O)Oc1ccc(C)c(C)c1 ZINC000008673499 398329162 /nfs/dbraw/zinc/32/91/62/398329162.db2.gz ZLGWNFMHYGPHAI-UHFFFAOYSA-N 0 0 248.307 2.683 50 0 BFAARN C[C@@H]1C=C2Nc3ccccc3N[C@@H](C)C2C(=O)O1 ZINC000008684110 398329276 /nfs/dbraw/zinc/32/92/76/398329276.db2.gz MGSVAWXAVKWGOR-BDAKNGLRSA-N 0 0 244.294 2.502 50 0 BFAARN COCc1nc2cc(Br)ccc2o1 ZINC000019088898 342941281 /nfs/dbraw/zinc/94/12/81/342941281.db2.gz LMBMCMJRMKBCEZ-UHFFFAOYSA-N 0 0 242.072 2.737 50 0 BFAARN Cc1noc(C)c1C(=O)Nc1ccccc1F ZINC000000251915 398332660 /nfs/dbraw/zinc/33/26/60/398332660.db2.gz DIIHNELMMKJAMT-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN COc1cc(-c2cccc3ncccc32)ncn1 ZINC000019144234 342942953 /nfs/dbraw/zinc/94/29/53/342942953.db2.gz VCINNZCUEIQFIT-UHFFFAOYSA-N 0 0 237.262 2.700 50 0 BFAARN O=Cc1cc(F)cc(F)c1Br ZINC000141162020 398343471 /nfs/dbraw/zinc/34/34/71/398343471.db2.gz BXSMAMKROIRRQQ-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN O=C1NC(=O)C(=Cc2ccccc2Cl)S1 ZINC000012407272 346898687 /nfs/dbraw/zinc/89/86/87/346898687.db2.gz LODOBCLAGUEESL-VMPITWQZSA-N 0 0 239.683 2.664 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2c(N)cccc2C1 ZINC000019721338 342954347 /nfs/dbraw/zinc/95/43/47/342954347.db2.gz SISNTWMRMJDEFB-UHFFFAOYSA-N 0 0 248.326 2.562 50 0 BFAARN CCN(CC)C(F)(F)[C@@H](F)C(F)(F)F ZINC000019616408 342952205 /nfs/dbraw/zinc/95/22/05/342952205.db2.gz BNTFCVMJHBNJAR-YFKPBYRVSA-N 0 0 223.160 2.821 50 0 BFAARN CCN(CC)C(F)(F)[C@H](F)C(F)(F)F ZINC000019616412 342952237 /nfs/dbraw/zinc/95/22/37/342952237.db2.gz BNTFCVMJHBNJAR-RXMQYKEDSA-N 0 0 223.160 2.821 50 0 BFAARN Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC000019406935 342947867 /nfs/dbraw/zinc/94/78/67/342947867.db2.gz BXQBKPYNSGAUHV-UHFFFAOYSA-N 0 0 244.269 2.589 50 0 BFAARN Cc1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1 ZINC000019721669 342954497 /nfs/dbraw/zinc/95/44/97/342954497.db2.gz JIIFTTKKMVJRLB-UHFFFAOYSA-N 0 0 227.185 2.855 50 0 BFAARN Nc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000019874937 342960187 /nfs/dbraw/zinc/96/01/87/342960187.db2.gz RXWRAZGLVOCTDG-UHFFFAOYSA-N 0 0 224.307 2.832 50 0 BFAARN CCc1ccc(C(=O)N[C@@H](C)CC)cc1 ZINC000019897683 342961615 /nfs/dbraw/zinc/96/16/15/342961615.db2.gz MDCLUNPPPFCRFX-JTQLQIEISA-N 0 0 205.301 2.777 50 0 BFAARN Nc1cc(NC(=O)C2CCCCC2)ccc1F ZINC000020157441 342972752 /nfs/dbraw/zinc/97/27/52/342972752.db2.gz SPYVYJOGTYTAMJ-UHFFFAOYSA-N 0 0 236.290 2.927 50 0 BFAARN Nc1cc(NC(=O)C2CCCC2)ccc1F ZINC000020157437 342972994 /nfs/dbraw/zinc/97/29/94/342972994.db2.gz SWDPRNCFJSLZRD-UHFFFAOYSA-N 0 0 222.263 2.537 50 0 BFAARN Nc1ccccc1-c1nc(-c2ccco2)no1 ZINC000020159544 342973423 /nfs/dbraw/zinc/97/34/23/342973423.db2.gz PTGWAPKVYFEPGL-UHFFFAOYSA-N 0 0 227.223 2.579 50 0 BFAARN Clc1ccc(Nc2ccccn2)nc1 ZINC000000500788 346908530 /nfs/dbraw/zinc/90/85/30/346908530.db2.gz KYDWUAXLUIWGPY-UHFFFAOYSA-N 0 0 205.648 2.874 50 0 BFAARN CNc1ccc(Br)cc1F ZINC000020045189 342967102 /nfs/dbraw/zinc/96/71/02/342967102.db2.gz HGNONAHZRMPHON-UHFFFAOYSA-N 0 0 204.042 2.630 50 0 BFAARN Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000020533770 342989874 /nfs/dbraw/zinc/98/98/74/342989874.db2.gz NWDCOSBNDBSOIY-UHFFFAOYSA-N 0 0 244.294 2.730 50 0 BFAARN S=c1[nH]cnc2ccc(Br)cc21 ZINC000020281920 342980411 /nfs/dbraw/zinc/98/04/11/342980411.db2.gz POBLUMIPMANYST-UHFFFAOYSA-N 0 0 241.113 2.681 50 0 BFAARN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000020357621 342983087 /nfs/dbraw/zinc/98/30/87/342983087.db2.gz REHNRWSWBXHXSB-VXGBXAGGSA-N 0 0 249.310 2.690 50 0 BFAARN Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 ZINC000020373292 342984421 /nfs/dbraw/zinc/98/44/21/342984421.db2.gz JDPZZANVLDNJOG-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN CC[C@@H](C(=O)NN1CCCCC1)c1ccccc1 ZINC000020495406 342987757 /nfs/dbraw/zinc/98/77/57/342987757.db2.gz NDERYXQOFFJSFR-CQSZACIVSA-N 0 0 246.354 2.697 50 0 BFAARN CC(C)c1noc(-c2cccc3nccnc32)n1 ZINC000020997541 343002230 /nfs/dbraw/zinc/00/22/30/343002230.db2.gz FJYMBSAEGOSGKW-UHFFFAOYSA-N 0 0 240.266 2.803 50 0 BFAARN Cc1ccc(F)cc1NC(=O)NCC(C)C ZINC000040525991 346914858 /nfs/dbraw/zinc/91/48/58/346914858.db2.gz IIPAEDJXYZMRQP-UHFFFAOYSA-N 0 0 224.279 2.912 50 0 BFAARN Cc1occc1C(=O)NCCc1cccs1 ZINC000021556930 343015445 /nfs/dbraw/zinc/01/54/45/343015445.db2.gz IZRUIHXDRVVVKU-UHFFFAOYSA-N 0 0 235.308 2.622 50 0 BFAARN Cc1ccc(NC(=O)NCc2ccoc2)cc1 ZINC000047697697 343015824 /nfs/dbraw/zinc/01/58/24/343015824.db2.gz LEKUHBYNLFKCEP-UHFFFAOYSA-N 0 0 230.267 2.910 50 0 BFAARN Cc1c(C)n(-c2cccnc2)c(C)c1C=O ZINC000022122412 343040335 /nfs/dbraw/zinc/04/03/35/343040335.db2.gz HYNPUCOFSJZMQY-UHFFFAOYSA-N 0 0 214.268 2.610 50 0 BFAARN Cc1ccc(F)cc1NC(=O)[C@@H]1C[C@@H]1C ZINC000005698967 346918116 /nfs/dbraw/zinc/91/81/16/346918116.db2.gz FRGJTDTVLSBURU-WCBMZHEXSA-N 0 0 207.248 2.729 50 0 BFAARN CC[C@@H](C(=O)Nc1ccn(C)n1)c1ccccc1 ZINC000022614141 343052327 /nfs/dbraw/zinc/05/23/27/343052327.db2.gz DYYMBYTUIXGVME-GFCCVEGCSA-N 0 0 243.310 2.552 50 0 BFAARN COc1cc(NC(=O)C=C(C)C)cc(OC)c1 ZINC000022928381 343057090 /nfs/dbraw/zinc/05/70/90/343057090.db2.gz GFJMXWHQCBJZJH-UHFFFAOYSA-N 0 0 235.283 2.609 50 0 BFAARN Cc1cc(C(=O)N(C)Cc2ccco2)c(C)o1 ZINC000032668058 343066449 /nfs/dbraw/zinc/06/64/49/343066449.db2.gz HGXMSYLQWDSPJX-UHFFFAOYSA-N 0 0 233.267 2.762 50 0 BFAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)cnn1C ZINC000024013576 343068305 /nfs/dbraw/zinc/06/83/05/343068305.db2.gz NKRPCVIEALNUHF-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN CS[C@@H](C)C(=O)Nc1ccccc1F ZINC000042795318 362025028 /nfs/dbraw/zinc/02/50/28/362025028.db2.gz UZRMKVDSRIBDIS-ZETCQYMHSA-N 0 0 213.277 2.516 50 0 BFAARN CCCCCCNC(=O)c1cc(Cl)c[nH]1 ZINC000025343178 343089325 /nfs/dbraw/zinc/08/93/25/343089325.db2.gz AQMKIVRRWTYEQQ-UHFFFAOYSA-N 0 0 228.723 2.978 50 0 BFAARN C[C@@H](O)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000026462087 343105700 /nfs/dbraw/zinc/10/57/00/343105700.db2.gz ANEHHLDOZYEWQV-SSDOTTSWSA-N 0 0 224.691 2.530 50 0 BFAARN CCCCc1nc(-c2ccc(O)cc2)no1 ZINC000026514568 343106438 /nfs/dbraw/zinc/10/64/38/343106438.db2.gz OUNWDZINNLJSJW-UHFFFAOYSA-N 0 0 218.256 2.785 50 0 BFAARN C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccncc1 ZINC000027406073 343116942 /nfs/dbraw/zinc/11/69/42/343116942.db2.gz IHNZUSOBQPPTOA-RYUDHWBXSA-N 0 0 230.311 2.615 50 0 BFAARN Cc1cc(C)nc(NC(=O)c2ccc(N)cc2)c1 ZINC000027640579 343122877 /nfs/dbraw/zinc/12/28/77/343122877.db2.gz FEWVYFMOKCOJNJ-UHFFFAOYSA-N 0 0 241.294 2.533 50 0 BFAARN CCc1ccc(C(=O)N[C@@H](C)c2cccnc2)o1 ZINC000028893631 343133991 /nfs/dbraw/zinc/13/39/91/343133991.db2.gz JULXYYRTXFTMLY-JTQLQIEISA-N 0 0 244.294 2.728 50 0 BFAARN O=C(c1ccc2c(c1)CCCC2)N1CCCC1 ZINC000032740547 343241439 /nfs/dbraw/zinc/24/14/39/343241439.db2.gz LSKVWYNUWVJWQO-UHFFFAOYSA-N 0 0 229.323 2.801 50 0 BFAARN C[C@H](C(=O)N(C)C1CCCCCC1)n1cccn1 ZINC000032769210 343242221 /nfs/dbraw/zinc/24/22/21/343242221.db2.gz GPJCDDJNAISIML-GFCCVEGCSA-N 0 0 249.358 2.625 50 0 BFAARN CCOc1cccc(CNC(=O)C2CCC2)c1 ZINC000048311967 343242257 /nfs/dbraw/zinc/24/22/57/343242257.db2.gz LZSWEDNBNNWPMO-UHFFFAOYSA-N 0 0 233.311 2.502 50 0 BFAARN Cc1ccoc1C(=O)N(C)C1CCCCC1 ZINC000032784522 343242760 /nfs/dbraw/zinc/24/27/60/343242760.db2.gz FLFVDCQIJSYEED-UHFFFAOYSA-N 0 0 221.300 2.993 50 0 BFAARN Fc1ccc(CNc2cncc(Cl)n2)cc1 ZINC000032876593 343243322 /nfs/dbraw/zinc/24/33/22/343243322.db2.gz CRZHXSJHMIMJCK-UHFFFAOYSA-N 0 0 237.665 2.881 50 0 BFAARN Cc1[nH]c2ccccc2c(=O)c1C(C)C ZINC000035064853 343283966 /nfs/dbraw/zinc/28/39/66/343283966.db2.gz AJDNYHSBEVKAHY-UHFFFAOYSA-N 0 0 201.269 2.960 50 0 BFAARN C[S@](=O)/C=C/c1ccc(Cl)cc1 ZINC000033835225 343262035 /nfs/dbraw/zinc/26/20/35/343262035.db2.gz KWIIEDMAHNVLDQ-NNNHXZLVSA-N 0 0 200.690 2.689 50 0 BFAARN Clc1ccc(-c2ccc3c(c2)OCO3)nn1 ZINC000034182206 343266069 /nfs/dbraw/zinc/26/60/69/343266069.db2.gz JTVYQTIMSPNOID-UHFFFAOYSA-N 0 0 234.642 2.526 50 0 BFAARN CCCCCc1cc(O)cc(O)c1C(=O)OC ZINC000034194051 343266083 /nfs/dbraw/zinc/26/60/83/343266083.db2.gz RQGAOBDPFOADCM-UHFFFAOYSA-N 0 0 238.283 2.617 50 0 BFAARN c1c2c(c3c4c1CCCN4CCC3)OCCC2 ZINC000000273764 343269482 /nfs/dbraw/zinc/26/94/82/343269482.db2.gz BVAZVYDSSDRZMO-UHFFFAOYSA-N 0 0 229.323 2.710 50 0 BFAARN CC(=O)C1=C(Nc2ccc(C)c(C)c2)CCC1=O ZINC000000287621 343269577 /nfs/dbraw/zinc/26/95/77/343269577.db2.gz JAECPRCEYAFESZ-UHFFFAOYSA-N 0 0 243.306 2.921 50 0 BFAARN Cc1nc2ccccc2nc1OC(C)C ZINC000001209668 343270325 /nfs/dbraw/zinc/27/03/25/343270325.db2.gz LLCBUPIOPOOXIN-UHFFFAOYSA-N 0 0 202.257 2.725 50 0 BFAARN CSc1nnc(C)c(Nc2ccc(C)cc2)n1 ZINC000001792397 343270630 /nfs/dbraw/zinc/27/06/30/343270630.db2.gz USEPCERUFSEPGY-UHFFFAOYSA-N 0 0 246.339 2.954 50 0 BFAARN O=c1oc2ccccc2nc1-c1ccccc1 ZINC000034431867 343270881 /nfs/dbraw/zinc/27/08/81/343270881.db2.gz YYPMRNQIJSHAEE-UHFFFAOYSA-N 0 0 223.231 2.855 50 0 BFAARN CCCCCc1nc(-c2ccccn2)no1 ZINC000002937110 343272712 /nfs/dbraw/zinc/27/27/12/343272712.db2.gz PHTXHPMFXNJLKJ-UHFFFAOYSA-N 0 0 217.272 2.864 50 0 BFAARN CC(=O)c1c(Nc2ccccc2)cc(C)oc1=O ZINC000003880247 343273034 /nfs/dbraw/zinc/27/30/34/343273034.db2.gz DPOGXFIAJVXRHT-UHFFFAOYSA-N 0 0 243.262 2.894 50 0 BFAARN CC(N=Nc1ccccn1)c1ccccc1 ZINC000004896515 343273469 /nfs/dbraw/zinc/27/34/69/343273469.db2.gz WXHUBZIYXVZMOG-PTNGSMBKSA-N 0 0 211.268 2.918 50 0 BFAARN CC(=O)Nc1ccccc1[C@H](O)c1ccccc1 ZINC000034515207 343273929 /nfs/dbraw/zinc/27/39/29/343273929.db2.gz HZEGZGIYWZMCQN-OAHLLOKOSA-N 0 0 241.290 2.727 50 0 BFAARN COC(=O)c1coc(C2CCCCC2)n1 ZINC000034612346 343275866 /nfs/dbraw/zinc/27/58/66/343275866.db2.gz BSFFPIBFBBGNCH-UHFFFAOYSA-N 0 0 209.245 2.509 50 0 BFAARN COC(=O)c1ncoc1-c1ccc(Cl)cc1 ZINC000036473677 343319620 /nfs/dbraw/zinc/31/96/20/343319620.db2.gz MGGPQBAELYVXMR-UHFFFAOYSA-N 0 0 237.642 2.782 50 0 BFAARN Cn1cc(C=O)c(-c2cc3ccccc3o2)n1 ZINC000036894401 343326797 /nfs/dbraw/zinc/32/67/97/343326797.db2.gz FIJDQZJKNTVBAU-UHFFFAOYSA-N 0 0 226.235 2.646 50 0 BFAARN O=C1CCOc2c(F)cc(Br)cc21 ZINC000036928542 343328037 /nfs/dbraw/zinc/32/80/37/343328037.db2.gz HEYFEDDTFOZZFS-UHFFFAOYSA-N 0 0 245.047 2.553 50 0 BFAARN O=C1Cc2cc(Br)c(Cl)cc2N1 ZINC000035359323 343295380 /nfs/dbraw/zinc/29/53/80/343295380.db2.gz CMVLRCJWRRXOJN-UHFFFAOYSA-N 0 0 246.491 2.597 50 0 BFAARN CC(=O)CN1CCc2c(ccc3ccccc32)C1 ZINC000036372534 343317142 /nfs/dbraw/zinc/31/71/42/343317142.db2.gz YICZHSMLLVYFQC-UHFFFAOYSA-N 0 0 239.318 2.787 50 0 BFAARN CC(C)CC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000036397749 343317830 /nfs/dbraw/zinc/31/78/30/343317830.db2.gz VCYFPBFWKFLFPZ-CYBMUJFWSA-N 0 0 232.327 2.791 50 0 BFAARN CSCC(=O)c1ccccc1Cl ZINC000038064085 343368573 /nfs/dbraw/zinc/36/85/73/343368573.db2.gz LIOYOKPCQQBIEU-UHFFFAOYSA-N 0 0 200.690 2.886 50 0 BFAARN COC(=O)c1sc(C)nc1C(C)(C)C ZINC000038537227 343376292 /nfs/dbraw/zinc/37/62/92/343376292.db2.gz RUEUMJDNWGEPSR-UHFFFAOYSA-N 0 0 213.302 2.536 50 0 BFAARN COc1ccc(Br)c(Cl)n1 ZINC000038537001 343376302 /nfs/dbraw/zinc/37/63/02/343376302.db2.gz OSXXSYYRNKLDHE-UHFFFAOYSA-N 0 0 222.469 2.506 50 0 BFAARN Nc1ccc(-c2nc3c(cccc3F)[nH]2)cc1 ZINC000037442363 343345554 /nfs/dbraw/zinc/34/55/54/343345554.db2.gz MBKPGWFKTVJBOJ-UHFFFAOYSA-N 0 0 227.242 2.951 50 0 BFAARN Clc1cc2c(cc1Cl)OCCO2 ZINC000038681049 343378516 /nfs/dbraw/zinc/37/85/16/343378516.db2.gz MSRYWCWCCLEHDI-UHFFFAOYSA-N 0 0 205.040 2.765 50 0 BFAARN CC1(C)CO[C@H](c2ccccc2Cl)NC1=O ZINC000071779192 343353137 /nfs/dbraw/zinc/35/31/37/343353137.db2.gz XZSJAVPWRQZGGZ-SNVBAGLBSA-N 0 0 239.702 2.511 50 0 BFAARN CCOc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000013326431 346935500 /nfs/dbraw/zinc/93/55/00/346935500.db2.gz QBARECPEBXJSAF-BXKDBHETSA-N 0 0 219.284 2.680 50 0 BFAARN CCOc1ccc(O)c(C(F)(F)F)c1 ZINC000039099393 343383235 /nfs/dbraw/zinc/38/32/35/343383235.db2.gz FFFDNYUQDANXCE-UHFFFAOYSA-N 0 0 206.163 2.810 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2cc(O)ccc21 ZINC000039150852 343386215 /nfs/dbraw/zinc/38/62/15/343386215.db2.gz BKEDNSDALWZCGF-UHFFFAOYSA-N 0 0 235.283 2.690 50 0 BFAARN Nc1ccc(F)cc1C(=O)c1ccc(F)cc1 ZINC000039643326 343391592 /nfs/dbraw/zinc/39/15/92/343391592.db2.gz BSNFHXNLZZNMGF-UHFFFAOYSA-N 0 0 233.217 2.778 50 0 BFAARN CSc1nc2nccc(-c3ccccc3)n2n1 ZINC000040375952 343401082 /nfs/dbraw/zinc/40/10/82/343401082.db2.gz OEOCUBHJSDDMEO-UHFFFAOYSA-N 0 0 242.307 2.513 50 0 BFAARN Cc1ccc(CN(C)C(=O)c2cccs2)o1 ZINC000040459507 343404399 /nfs/dbraw/zinc/40/43/99/343404399.db2.gz UHHPUZMRKAJITN-UHFFFAOYSA-N 0 0 235.308 2.922 50 0 BFAARN O=C1NCCCC[C@H]1Sc1ccc(F)cc1 ZINC000040481436 343405335 /nfs/dbraw/zinc/40/53/35/343405335.db2.gz YFUAHSKFBAHHGF-LLVKDONJSA-N 0 0 239.315 2.587 50 0 BFAARN Cc1ccc(NC(=O)N2CCSCC2)cc1 ZINC000048683142 343417381 /nfs/dbraw/zinc/41/73/81/343417381.db2.gz DDNSQWIXGLLJCT-UHFFFAOYSA-N 0 0 236.340 2.576 50 0 BFAARN CCN1C(=O)c2ccccc2N[C@@H]1c1ccco1 ZINC000042186113 343430772 /nfs/dbraw/zinc/43/07/72/343430772.db2.gz SPZOCALBCXLSBX-ZDUSSCGKSA-N 0 0 242.278 2.866 50 0 BFAARN CCN1C(=O)c2ccccc2N[C@H]1c1ccco1 ZINC000042186111 343430898 /nfs/dbraw/zinc/43/08/98/343430898.db2.gz SPZOCALBCXLSBX-CYBMUJFWSA-N 0 0 242.278 2.866 50 0 BFAARN Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CC(=O)[O-])cc1 ZINC000262671204 136374573 /nfs/dbraw/zinc/37/45/73/136374573.db2.gz RRXZMDYELSYBEX-KGLIPLIRSA-N 0 0 247.338 2.648 50 0 BFAARN Nc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000043512016 343476303 /nfs/dbraw/zinc/47/63/03/343476303.db2.gz ZSZBNOWRQXRHRD-UHFFFAOYSA-N 0 0 241.216 2.532 50 0 BFAARN Nc1ccc(NC2CC2)c(Br)c1 ZINC000043596550 343478218 /nfs/dbraw/zinc/47/82/18/343478218.db2.gz UEXLDZWSIIQOHI-UHFFFAOYSA-N 0 0 227.105 2.606 50 0 BFAARN C[C@H](CNC(=O)C(C)(C)C)c1ccccc1 ZINC000043700784 343481381 /nfs/dbraw/zinc/48/13/81/343481381.db2.gz RDAVLXLHEHATML-LLVKDONJSA-N 0 0 219.328 2.952 50 0 BFAARN COC(=O)C1(c2cccc(OC)c2)CCCC1 ZINC000044124293 343491959 /nfs/dbraw/zinc/49/19/59/343491959.db2.gz YHFGKMAGFLAVBB-UHFFFAOYSA-N 0 0 234.295 2.680 50 0 BFAARN O=C1CC[C@]2(CCCC[C@H]2c2ccccc2)N1 ZINC000044124798 343492123 /nfs/dbraw/zinc/49/21/23/343492123.db2.gz SNDDYBGPSCGBOE-ZFWWWQNUSA-N 0 0 229.323 2.993 50 0 BFAARN CCOc1cc(OC)c(Cl)c(N)c1Cl ZINC000044126592 343492519 /nfs/dbraw/zinc/49/25/19/343492519.db2.gz NXRRNOPUNBDMNP-UHFFFAOYSA-N 0 0 236.098 2.983 50 0 BFAARN N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000044138947 343493197 /nfs/dbraw/zinc/49/31/97/343493197.db2.gz CJIJQPOXSZBIGD-VIFPVBQESA-N 0 0 203.207 2.509 50 0 BFAARN Cc1ccc(Cl)nc1Br ZINC000044787404 343514371 /nfs/dbraw/zinc/51/43/71/343514371.db2.gz VAUAZVCUPGVDPB-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN CSc1nc(Cl)cc(C(F)F)n1 ZINC000044831878 343516565 /nfs/dbraw/zinc/51/65/65/343516565.db2.gz IHRHHFIDUYHBOD-UHFFFAOYSA-N 0 0 210.636 2.790 50 0 BFAARN Nc1ccc2sc(C(F)(F)F)nc2c1 ZINC000045237524 343526723 /nfs/dbraw/zinc/52/67/23/343526723.db2.gz CTCYOMZRHNZGRF-UHFFFAOYSA-N 0 0 218.203 2.897 50 0 BFAARN O=C1CCc2c3cc(Cl)ccc3[nH]c21 ZINC000049538567 343601457 /nfs/dbraw/zinc/60/14/57/343601457.db2.gz GSWMOQYMNZTVSB-UHFFFAOYSA-N 0 0 205.644 2.950 50 0 BFAARN C[C@H](CC(=O)Nc1ccc(F)cc1)n1ccnc1 ZINC000021917340 343778302 /nfs/dbraw/zinc/77/83/02/343778302.db2.gz SGGWNKWWCBCHJH-SNVBAGLBSA-N 0 0 247.273 2.612 50 0 BFAARN COC(=O)CCc1ccc(O)c(C(C)(C)C)c1 ZINC000078846846 343784516 /nfs/dbraw/zinc/78/45/16/343784516.db2.gz TVUZOWCUYWPFPN-UHFFFAOYSA-N 0 0 236.311 2.795 50 0 BFAARN Cc1ccc(CNC(=O)c2cccc(C)c2)n1C ZINC000023574844 537814265 /nfs/dbraw/zinc/81/42/65/537814265.db2.gz GQOKUZHWDZNPEN-UHFFFAOYSA-N 0 0 242.322 2.572 50 0 BFAARN CC(C)CCc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1 ZINC000000533771 346985936 /nfs/dbraw/zinc/98/59/36/346985936.db2.gz FDBAPXYVXNECEZ-ZDUSSCGKSA-N 0 0 235.327 2.750 50 0 biogenic BFAARN Cc1ccc(CNC(=O)c2ccccc2F)o1 ZINC000020149750 178599484 /nfs/dbraw/zinc/59/94/84/178599484.db2.gz PRQJGHBHFXYBNS-UHFFFAOYSA-N 0 0 233.242 2.657 50 0 BFAARN Cc1cc(C(=O)N[C@@H]2CC[C@H](F)C2)c(C)o1 ZINC000334515027 343890662 /nfs/dbraw/zinc/89/06/62/343890662.db2.gz DANZOXLFZVOYRZ-VHSXEESVSA-N 0 0 225.263 2.517 50 0 BFAARN CC1=CCCN(c2ncc(C(F)F)cn2)C1 ZINC000334651648 343900023 /nfs/dbraw/zinc/90/00/23/343900023.db2.gz CNEUUPPRGNCTJQ-UHFFFAOYSA-N 0 0 225.242 2.571 50 0 BFAARN Cc1ccccc1NC(=O)C1CC(F)(F)C1 ZINC000334669808 343900900 /nfs/dbraw/zinc/90/09/00/343900900.db2.gz YYGBPVRUTXRMGV-UHFFFAOYSA-N 0 0 225.238 2.979 50 0 BFAARN C[C@H](CC(F)F)C(=O)N1CCC(C)(C)C1 ZINC000334807248 343909319 /nfs/dbraw/zinc/90/93/19/343909319.db2.gz OZMSFVIJEJCXCT-MRVPVSSYSA-N 0 0 219.275 2.536 50 0 BFAARN Cc1cc(CN2CCCc3ccccc32)no1 ZINC000061744702 343943495 /nfs/dbraw/zinc/94/34/95/343943495.db2.gz QNVIMQITQMXKCJ-UHFFFAOYSA-N 0 0 228.295 2.936 50 0 BFAARN COc1ccc(Cl)c(C=O)c1Cl ZINC000080541496 344130237 /nfs/dbraw/zinc/13/02/37/344130237.db2.gz BOEYOJGUYQCWTR-UHFFFAOYSA-N 0 0 205.040 2.815 50 0 BFAARN Cc1ccc(CNc2nncs2)cc1C ZINC000083349944 178642905 /nfs/dbraw/zinc/64/29/05/178642905.db2.gz NBPBZMIIUDANGC-UHFFFAOYSA-N 0 0 219.313 2.767 50 0 BFAARN CCC1(CNC(=O)Nc2ccncc2F)CC1 ZINC000095940261 168472025 /nfs/dbraw/zinc/47/20/25/168472025.db2.gz BEDIRGDZANSEMM-UHFFFAOYSA-N 0 0 237.278 2.532 50 0 BFAARN CCc1nc(C)c([C@@H](C)N(C)C(C)=O)s1 ZINC000095401203 344337555 /nfs/dbraw/zinc/33/75/55/344337555.db2.gz HTCGSTZMVQWPOP-MRVPVSSYSA-N 0 0 226.345 2.553 50 0 BFAARN S=C1N=NC(c2cccs2)S1 ZINC000006192269 344340279 /nfs/dbraw/zinc/34/02/79/344340279.db2.gz OPZYRKWLFVOZTN-UHFFFAOYSA-N 0 0 200.313 2.555 50 0 BFAARN Cc1nc(CN(C)Cc2ncccc2C)cs1 ZINC000093168547 344310216 /nfs/dbraw/zinc/31/02/16/344310216.db2.gz WOQHGQUURCDTDF-UHFFFAOYSA-N 0 0 247.367 2.787 50 0 BFAARN Cc1ccc(Cl)c2sc(=NN)[nH]c21 ZINC000002455669 178661512 /nfs/dbraw/zinc/66/15/12/178661512.db2.gz XAIZTSNQCCWIKE-UHFFFAOYSA-N 0 0 213.693 2.544 50 0 BFAARN COC(=O)CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000044089960 344389144 /nfs/dbraw/zinc/38/91/44/344389144.db2.gz MQTJULVUQDTCDP-SNVBAGLBSA-N 0 0 247.294 2.599 50 0 BFAARN CC(C)SCC(=O)NCCc1cccs1 ZINC000084622356 344448306 /nfs/dbraw/zinc/44/83/06/344448306.db2.gz ZWEXMLCZWXPAQB-UHFFFAOYSA-N 0 0 243.397 2.548 50 0 BFAARN O=C1N[C@H](c2ccsc2)N2CCCC[C@@H]12 ZINC000071967382 344471180 /nfs/dbraw/zinc/47/11/80/344471180.db2.gz WAENQLOOEBXYDO-UWVGGRQHSA-N 0 0 222.313 2.571 50 0 BFAARN Cc1ccc(Cn2c3ccccc3[nH]c2=O)cc1 ZINC000000104948 344541244 /nfs/dbraw/zinc/54/12/44/344541244.db2.gz NXTMFHTWMAFPRK-UHFFFAOYSA-N 0 0 238.290 2.686 50 0 BFAARN Cc1ccc(F)c(NC(=O)N2CCCC2)c1 ZINC000043351696 178674386 /nfs/dbraw/zinc/67/43/86/178674386.db2.gz MRBPZXRQWMDEHG-UHFFFAOYSA-N 0 0 222.263 2.762 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)C(C)C)cc1 ZINC000045174576 344562224 /nfs/dbraw/zinc/56/22/24/344562224.db2.gz NPWBDXZFHCXGQE-NSHDSACASA-N 0 0 205.301 2.828 50 0 BFAARN CCCc1c(O)ccc(C(C)=O)c1NCC ZINC000000157851 344577476 /nfs/dbraw/zinc/57/74/76/344577476.db2.gz UEUBXQBWTJARQS-UHFFFAOYSA-N 0 0 221.300 2.979 50 0 BFAARN COC(=O)Cc1cc2cc(Cl)ccc2[nH]1 ZINC000396138545 344614655 /nfs/dbraw/zinc/61/46/55/344614655.db2.gz GGSFBTXRUQXAID-UHFFFAOYSA-N 0 0 223.659 2.537 50 0 BFAARN CCOC(=O)c1nc(-c2ccccc2)n(C)c1C ZINC000000348086 344715480 /nfs/dbraw/zinc/71/54/80/344715480.db2.gz MSLZFWAWPCBFAN-UHFFFAOYSA-N 0 0 244.294 2.572 50 0 BFAARN CCc1ccc(Br)c(N)c1 ZINC000224075040 344758878 /nfs/dbraw/zinc/75/88/78/344758878.db2.gz GFKHQPKSQBFXEZ-UHFFFAOYSA-N 0 0 200.079 2.594 50 0 BFAARN CC[C@]1(C)N=C(c2ccccc2)C(=S)N1 ZINC000004883295 344769834 /nfs/dbraw/zinc/76/98/34/344769834.db2.gz FMJDVBOKBKFVDW-GFCCVEGCSA-N 0 0 218.325 2.533 50 0 BFAARN Cc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000016661813 178713014 /nfs/dbraw/zinc/71/30/14/178713014.db2.gz CWHJJRXWQHGXBU-CHWSQXEVSA-N 0 0 243.306 2.675 50 0 BFAARN Cc1ccc(NC(=O)CCOC(C)C)cc1F ZINC000075538698 178724096 /nfs/dbraw/zinc/72/40/96/178724096.db2.gz GPXCWFDURCYLAQ-UHFFFAOYSA-N 0 0 239.290 2.888 50 0 BFAARN Cc1cc(CN2CCC(C(F)(F)F)CC2)on1 ZINC000075997337 344789962 /nfs/dbraw/zinc/78/99/62/344789962.db2.gz XYYQBANFOBYLPO-UHFFFAOYSA-N 0 0 248.248 2.757 50 0 BFAARN Cc1ccc(NC(=O)N(C)C)c(Cl)c1 ZINC000034173959 178730392 /nfs/dbraw/zinc/73/03/92/178730392.db2.gz ZBCKFPUOWZSKBL-UHFFFAOYSA-N 0 0 212.680 2.742 50 0 BFAARN Cc1noc(C)c1CC(=O)Nc1ccc(C)cc1 ZINC000012781571 178730680 /nfs/dbraw/zinc/73/06/80/178730680.db2.gz CREQGLYYGRQYTK-UHFFFAOYSA-N 0 0 244.294 2.781 50 0 BFAARN Cc1ccc(NC(=O)c2ccc[nH]2)cc1C ZINC000032743641 178753074 /nfs/dbraw/zinc/75/30/74/178753074.db2.gz CVAKEIMEXNEHAC-UHFFFAOYSA-N 0 0 214.268 2.884 50 0 BFAARN Cc1ccc(NC(=O)c2ccc(C)nc2)cc1 ZINC000023735840 178751227 /nfs/dbraw/zinc/75/12/27/178751227.db2.gz ZNJLSORVAMUDDA-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN O=C(CCn1cccc1)Nc1ccc(F)cc1 ZINC000005151160 344978912 /nfs/dbraw/zinc/97/89/12/344978912.db2.gz PQDDUTMALVJANE-UHFFFAOYSA-N 0 0 232.258 2.656 50 0 BFAARN O=C(c1ccno1)N(Cc1ccsc1)C1CC1 ZINC000044446495 345072768 /nfs/dbraw/zinc/07/27/68/345072768.db2.gz BXXXGSWBGKWMKK-UHFFFAOYSA-N 0 0 248.307 2.541 50 0 BFAARN Cc1ccc(O[C@H](C)C(=O)NC(C)C)cc1C ZINC000008480991 178818594 /nfs/dbraw/zinc/81/85/94/178818594.db2.gz ILBDUZJSKQURJL-GFCCVEGCSA-N 0 0 235.327 2.595 50 0 BFAARN CCCCC(=O)Nc1onc2c1C[C@@H](C)CC2 ZINC000011917221 345068074 /nfs/dbraw/zinc/06/80/74/345068074.db2.gz GHCZJNGEBOQTSC-VIFPVBQESA-N 0 0 236.315 2.928 50 0 BFAARN Oc1ccc(-c2cc[nH]n2)cc1Br ZINC000238729863 345120143 /nfs/dbraw/zinc/12/01/43/345120143.db2.gz GIDHDEUPBDWOJN-UHFFFAOYSA-N 0 0 239.072 2.545 50 0 BFAARN Cc1ccc(Nc2nc(=O)c(C)cs2)cc1 ZINC000000715912 345542563 /nfs/dbraw/zinc/54/25/63/345542563.db2.gz SMHZQZKXHVDJPZ-UHFFFAOYSA-N 0 0 232.308 2.864 50 0 BFAARN Cc1ccc([C@H](C)N[C@H](C)c2nnc(C)o2)o1 ZINC000182569677 178898923 /nfs/dbraw/zinc/89/89/23/178898923.db2.gz CKUMTQYWJNBSHV-DTWKUNHWSA-N 0 0 235.287 2.691 50 0 BFAARN CC(C)Sc1nc(-c2ccccn2)no1 ZINC000071916338 537901575 /nfs/dbraw/zinc/90/15/75/537901575.db2.gz ULOVLEMUOHKNDJ-UHFFFAOYSA-N 0 0 221.285 2.632 50 0 BFAARN CC(C)(C)c1noc([C@@H]2CCCS2)n1 ZINC000095404047 345686326 /nfs/dbraw/zinc/68/63/26/345686326.db2.gz JLNLKFQMPSOMTI-ZETCQYMHSA-N 0 0 212.318 2.935 50 0 BFAARN c1csc([C@H]2CCCN(c3ccccn3)C2)n1 ZINC000095994701 345686778 /nfs/dbraw/zinc/68/67/78/345686778.db2.gz BGHNURZVSPHZHT-NSHDSACASA-N 0 0 245.351 2.922 50 0 BFAARN CO[C@@H](C)c1nc(-c2cn(C)nc2C)cs1 ZINC000095964098 345686807 /nfs/dbraw/zinc/68/68/07/345686807.db2.gz GPTHTLJFZVYHQF-QMMMGPOBSA-N 0 0 237.328 2.559 50 0 BFAARN CCOc1cccc(=O)c2c(C)oc(C)c21 ZINC000000313119 345826135 /nfs/dbraw/zinc/82/61/35/345826135.db2.gz JGARVUDPDZXBGL-UHFFFAOYSA-N 0 0 218.252 2.809 50 0 BFAARN Cc1ccc([S@]2(=O)=N[C@H](C(C)C)CO2)cc1 ZINC000100047553 178934880 /nfs/dbraw/zinc/93/48/80/178934880.db2.gz QCNBRUOJSNBOIE-BLLLJJGKSA-N 0 0 239.340 2.792 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@@H](C2CC2)C1 ZINC000685939491 537929217 /nfs/dbraw/zinc/92/92/17/537929217.db2.gz QCLFIMYJAVLOSV-XEZLXBQYSA-N 0 0 221.344 2.727 50 0 BFAARN CCNc1cc(C)ccc1NC(=O)c1ccon1 ZINC000191391282 346026807 /nfs/dbraw/zinc/02/68/07/346026807.db2.gz WRGMUWASKVEPHO-UHFFFAOYSA-N 0 0 245.282 2.667 50 0 BFAARN CCc1nc2c3ccccc3oc2c(NC)n1 ZINC000005278215 346175164 /nfs/dbraw/zinc/17/51/64/346175164.db2.gz BARKODVGGORCBR-UHFFFAOYSA-N 0 0 227.267 2.980 50 0 BFAARN Cc1cccc(-c2ocnc2C(=O)NC2CC2)c1 ZINC000064556770 179000033 /nfs/dbraw/zinc/00/00/33/179000033.db2.gz QSQOTJIZRQFYQU-UHFFFAOYSA-N 0 0 242.278 2.542 50 0 BFAARN CCn1ccc(C(=O)Nc2cccc(Cl)c2)n1 ZINC000000467789 346203427 /nfs/dbraw/zinc/20/34/27/346203427.db2.gz TVAXXOORGPHUNK-UHFFFAOYSA-N 0 0 249.701 2.809 50 0 BFAARN Cc1cccc(-n2cnc(Cl)c2C=O)c1 ZINC000040150491 179001465 /nfs/dbraw/zinc/00/14/65/179001465.db2.gz VBHVSBYIZWXINZ-UHFFFAOYSA-N 0 0 220.659 2.647 50 0 BFAARN Cc1cccc(-c2nnc3n2C[C@H](C)S3)c1 ZINC000012462877 178998984 /nfs/dbraw/zinc/99/89/84/178998984.db2.gz AHIWYANKMBHXFW-VIFPVBQESA-N 0 0 231.324 2.748 50 0 BFAARN Cc1cccc(C(=O)N(C)Cc2ccsc2)n1 ZINC000040493467 179005806 /nfs/dbraw/zinc/00/58/06/179005806.db2.gz YHYYISSLUDKBSC-UHFFFAOYSA-N 0 0 246.335 2.724 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000005442959 346226141 /nfs/dbraw/zinc/22/61/41/346226141.db2.gz QZVGYNJPPGFSHV-LERXQTSPSA-N 0 0 229.323 2.836 50 0 BFAARN CCc1cccc(CC)c1NC(=O)[C@@H]1CCCO1 ZINC000005477433 346238013 /nfs/dbraw/zinc/23/80/13/346238013.db2.gz DPHSIWWAKJOAPE-ZDUSSCGKSA-N 0 0 247.338 2.929 50 0 BFAARN Cc1cccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1C ZINC000012978825 179012055 /nfs/dbraw/zinc/01/20/55/179012055.db2.gz NZXUFRCDGTXOOL-VXGBXAGGSA-N 0 0 247.338 2.553 50 0 BFAARN Cc1cccc(C(=O)NCCC(C)C)c1 ZINC000000030392 179015944 /nfs/dbraw/zinc/01/59/44/179015944.db2.gz QMCNVWPSCDJUKJ-UHFFFAOYSA-N 0 0 205.301 2.771 50 0 BFAARN Cc1ccsc1CNC(=O)c1cccc(C)n1 ZINC000026001525 179019504 /nfs/dbraw/zinc/01/95/04/179019504.db2.gz GRGBBRHNHUTFGD-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN Cc1nc(CNC(=O)c2cccc(C)c2)cs1 ZINC000015832144 179020173 /nfs/dbraw/zinc/02/01/73/179020173.db2.gz ADAKHIJZTABLQJ-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN Cc1cccc(C)c1C(=O)N1CCCSCC1 ZINC000098020399 179030391 /nfs/dbraw/zinc/03/03/91/179030391.db2.gz IXCGQWGXHMLMTO-UHFFFAOYSA-N 0 0 249.379 2.883 50 0 BFAARN Cc1cccc(C)c1C(=O)NCc1ccco1 ZINC000071916433 179031586 /nfs/dbraw/zinc/03/15/86/179031586.db2.gz UQGMSDIOEPDATL-UHFFFAOYSA-N 0 0 229.279 2.826 50 0 BFAARN CCSC(SCC)c1ccn(C)n1 ZINC000005654988 346299315 /nfs/dbraw/zinc/29/93/15/346299315.db2.gz HZYUDUGPEHCSDJ-UHFFFAOYSA-N 0 0 216.375 2.925 50 0 BFAARN CS[C@@H]1CCC[C@@H]1Nc1nc(C)ns1 ZINC000078447915 537965928 /nfs/dbraw/zinc/96/59/28/537965928.db2.gz GCYBXOKIKZGWIF-JGVFFNPUSA-N 0 0 229.374 2.543 50 0 BFAARN Cc1cccc(C(=O)c2ccc(F)c(F)c2)n1 ZINC000045028504 179027350 /nfs/dbraw/zinc/02/73/50/179027350.db2.gz AXESYJCCSKRVDF-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1nn(C)cc1C(=O)Nc1c(C)cccc1C ZINC000012015688 179043753 /nfs/dbraw/zinc/04/37/53/179043753.db2.gz DXIWYOOWRGAXBA-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN Cc1cccc(C)c1NC(=S)N(C)C ZINC000000410235 179044349 /nfs/dbraw/zinc/04/43/49/179044349.db2.gz VHCHCRBADVQVIM-UHFFFAOYSA-N 0 0 208.330 2.562 50 0 BFAARN CC(C)(C)OC(=O)N1CCCC[C@@H]2C[C@H]21 ZINC000669378646 537969364 /nfs/dbraw/zinc/96/93/64/537969364.db2.gz LBMYDKALZQLSEU-NXEZZACHSA-N 0 0 211.305 2.796 50 0 BFAARN O=C(c1ccc(Cl)cc1)N1CCSCC1 ZINC000000140258 346401217 /nfs/dbraw/zinc/40/12/17/346401217.db2.gz PIZZAODWSORPSH-UHFFFAOYSA-N 0 0 241.743 2.529 50 0 BFAARN CCCc1cc(=O)oc2cc(OC)ccc12 ZINC000000046587 346402814 /nfs/dbraw/zinc/40/28/14/346402814.db2.gz IQWJXZQHXINMIY-UHFFFAOYSA-N 0 0 218.252 2.754 50 0 BFAARN Cc1n[nH]cc1C(=S)Nc1ccccc1 ZINC000000432487 346418545 /nfs/dbraw/zinc/41/85/45/346418545.db2.gz CEUNRAXHAOQSSY-UHFFFAOYSA-N 0 0 217.297 2.506 50 0 BFAARN CCc1cc2c(C)cc(=O)oc2cc1OC ZINC000000405844 346418818 /nfs/dbraw/zinc/41/88/18/346418818.db2.gz VTCWTXNMVRIVEE-UHFFFAOYSA-N 0 0 218.252 2.672 50 0 BFAARN CCOc1ccccc1C(=S)N1CCCC1 ZINC000001050397 346432151 /nfs/dbraw/zinc/43/21/51/346432151.db2.gz GQVHGCAXSQVWKK-UHFFFAOYSA-N 0 0 235.352 2.857 50 0 BFAARN Cc1cccc(CNC(=O)[C@@H]2CC=CCC2)c1 ZINC000032760730 179086656 /nfs/dbraw/zinc/08/66/56/179086656.db2.gz MRVGKJFEOYBRST-CQSZACIVSA-N 0 0 229.323 2.968 50 0 BFAARN Cc1csc(CN(C)c2cccc(C)n2)n1 ZINC000097163314 179117330 /nfs/dbraw/zinc/11/73/30/179117330.db2.gz QMXQZFGUBIUKKC-UHFFFAOYSA-N 0 0 233.340 2.791 50 0 BFAARN CC(=O)C12CC3CC(C1)CC(C(C)=O)(C3)C2 ZINC000004010824 346589971 /nfs/dbraw/zinc/58/99/71/346589971.db2.gz GPMDBHIWOLWLNW-UHFFFAOYSA-N 0 0 220.312 2.751 50 0 BFAARN CCN(CC)C(=O)NC1CCCCCC1 ZINC000004867462 346610462 /nfs/dbraw/zinc/61/04/62/346610462.db2.gz MUUMFXJSXHYPMI-UHFFFAOYSA-N 0 0 212.337 2.761 50 0 BFAARN Cc1sc2ncn(C(C)C)c(=O)c2c1C ZINC000005414497 346618358 /nfs/dbraw/zinc/61/83/58/346618358.db2.gz OZPMDICQAWQLHK-UHFFFAOYSA-N 0 0 222.313 2.656 50 0 BFAARN Cc1cccc(NC(=O)NCc2ccccn2)c1 ZINC000000371595 179135067 /nfs/dbraw/zinc/13/50/67/179135067.db2.gz IVCDMXUBNUIFTK-UHFFFAOYSA-N 0 0 241.294 2.712 50 0 BFAARN Cc1ccc(NC(=O)NC2CC2)cc1C ZINC000006726666 346655467 /nfs/dbraw/zinc/65/54/67/346655467.db2.gz OYSLELBIYRKEBF-UHFFFAOYSA-N 0 0 204.273 2.587 50 0 BFAARN Cc1cccc(NC(=O)C[C@@H](C)n2ccnc2)c1 ZINC000021917442 179129762 /nfs/dbraw/zinc/12/97/62/179129762.db2.gz NLELLOAJWGDFCL-GFCCVEGCSA-N 0 0 243.310 2.781 50 0 BFAARN Cc1cccc(NC(=O)N2CCSC2)c1 ZINC000028232194 179132346 /nfs/dbraw/zinc/13/23/46/179132346.db2.gz ZZFVQJRSMAWCGB-UHFFFAOYSA-N 0 0 222.313 2.533 50 0 BFAARN Cc1cccc(NC(=O)[C@H](O)c2ccccc2)c1 ZINC000000238129 179140023 /nfs/dbraw/zinc/14/00/23/179140023.db2.gz KDQLRKCTZXGNPJ-CQSZACIVSA-N 0 0 241.290 2.667 50 0 BFAARN COCc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000008479944 346677018 /nfs/dbraw/zinc/67/70/18/346677018.db2.gz BBTXQFWCVKSTRH-UHFFFAOYSA-N 0 0 247.338 2.849 50 0 BFAARN O=c1[nH]c(=S)c2c(n1C1CCCC1)CCC2 ZINC000008737548 346686705 /nfs/dbraw/zinc/68/67/05/346686705.db2.gz YPXBARIQGLGNNT-UHFFFAOYSA-N 0 0 236.340 2.510 50 0 BFAARN Cc1cccc(OCC(=O)N2CCC(C)CC2)c1 ZINC000006217215 179162765 /nfs/dbraw/zinc/16/27/65/179162765.db2.gz RLCNFCKQFREZTA-UHFFFAOYSA-N 0 0 247.338 2.632 50 0 BFAARN Cc1cc(C)n(C(=O)COc2cccc(C)c2)n1 ZINC000000142027 179163127 /nfs/dbraw/zinc/16/31/27/179163127.db2.gz ITZWQDIQCHDNSG-UHFFFAOYSA-N 0 0 244.294 2.528 50 0 BFAARN Cc1cccc(OCCCCCO)c1F ZINC000097053676 179165008 /nfs/dbraw/zinc/16/50/08/179165008.db2.gz QGMMFHKOUXETEG-UHFFFAOYSA-N 0 0 212.264 2.676 50 0 BFAARN Cc1cccc(OCCN2C(=O)CC[C@@H]2C)c1C ZINC000095505042 179166238 /nfs/dbraw/zinc/16/62/38/179166238.db2.gz QMLJYZDSIJZGJS-LBPRGKRZSA-N 0 0 247.338 2.693 50 0 BFAARN Cc1n[nH]c(C)c1CCOc1cccc(C)c1 ZINC000000210533 179170065 /nfs/dbraw/zinc/17/00/65/179170065.db2.gz IFEWRCFVZRRFRQ-UHFFFAOYSA-N 0 0 230.311 2.956 50 0 BFAARN Cc1cccc(OC[C@@H]2CCOC2)c1F ZINC000096500051 179171781 /nfs/dbraw/zinc/17/17/81/179171781.db2.gz CTGGGLWVLQWMFY-SNVBAGLBSA-N 0 0 210.248 2.549 50 0 BFAARN COc1ccc(-c2ccccc2C=O)cc1C=O ZINC000725242643 537986905 /nfs/dbraw/zinc/98/69/05/537986905.db2.gz PTWFTSZHKNTVRO-UHFFFAOYSA-N 0 0 240.258 2.987 50 0 BFAARN Cc1cccc2c1CC(C)(C)NC2=S ZINC000004143511 179212979 /nfs/dbraw/zinc/21/29/79/179212979.db2.gz UXYGCZMQJQBYAO-UHFFFAOYSA-N 0 0 205.326 2.595 50 0 BFAARN CCCC(=O)c1cc(OC)c(OC)cc1OC ZINC000014817762 168570794 /nfs/dbraw/zinc/57/07/94/168570794.db2.gz CSBSTMGRAOUNFM-UHFFFAOYSA-N 0 0 238.283 2.695 50 0 BFAARN Cc1cccc2c1NC(=O)[C@@H]2Cc1ccco1 ZINC000015017873 179220213 /nfs/dbraw/zinc/22/02/13/179220213.db2.gz BFNXTWJBKUEFGM-GFCCVEGCSA-N 0 0 227.263 2.866 50 0 BFAARN Cc1ccccc1-c1cc(NC(=O)C2CC2)n[nH]1 ZINC000051438929 179235268 /nfs/dbraw/zinc/23/52/68/179235268.db2.gz GVIQRAWMFSEDNR-UHFFFAOYSA-N 0 0 241.294 2.734 50 0 BFAARN Cc1ccccc1-n1nnnc1-c1ccccc1 ZINC000002471209 179243557 /nfs/dbraw/zinc/24/35/57/179243557.db2.gz CHNWKRXCWLNGCT-UHFFFAOYSA-N 0 0 236.278 2.638 50 0 BFAARN Cc1ccccc1-c1nnc2ccc(Cl)nn21 ZINC000009184387 179239716 /nfs/dbraw/zinc/23/97/16/179239716.db2.gz RLUFRMXAILDPQB-UHFFFAOYSA-N 0 0 244.685 2.753 50 0 BFAARN Cc1nn(C)c(C)c1NC(=O)c1ccccc1C ZINC000012878734 179251958 /nfs/dbraw/zinc/25/19/58/179251958.db2.gz IDAIFFIJNIBPCZ-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN Cc1cc(NC[C@@H](C)c2ccccc2)n(C)n1 ZINC000194368968 347536988 /nfs/dbraw/zinc/53/69/88/347536988.db2.gz FTJAIOTVDIUVRO-LLVKDONJSA-N 0 0 229.327 2.944 50 0 BFAARN Cc1ccccc1C(Nc1ccccc1)=S=O ZINC000000339298 179254941 /nfs/dbraw/zinc/25/49/41/179254941.db2.gz AEXNSTQSASGAII-UHFFFAOYSA-N 0 0 243.331 2.798 50 0 BFAARN Cc1ccccc1CC(=O)NCc1cccs1 ZINC000006699392 179259020 /nfs/dbraw/zinc/25/90/20/179259020.db2.gz KPUQZPWYOAAEKD-UHFFFAOYSA-N 0 0 245.347 2.915 50 0 BFAARN Cc1ccccc1CCNC(=O)CC(F)(F)F ZINC000040490343 179265684 /nfs/dbraw/zinc/26/56/84/179265684.db2.gz HXLHZCBYJVFORA-UHFFFAOYSA-N 0 0 245.244 2.606 50 0 BFAARN Cc1ccccc1CCNC(=O)C1CCCC1 ZINC000040460949 179263312 /nfs/dbraw/zinc/26/33/12/179263312.db2.gz ZNMFYTKHNXQESV-UHFFFAOYSA-N 0 0 231.339 2.844 50 0 BFAARN CCCC(CCC)[S@](=O)C[C@@H]1CCCO1 ZINC000194541253 347549198 /nfs/dbraw/zinc/54/91/98/347549198.db2.gz PQAMABRRCXTOEJ-XHDPSFHLSA-N 0 0 232.389 2.883 50 0 BFAARN Cc1csc([C@@H](C)OC(=O)c2cccnc2)n1 ZINC000195572019 347647682 /nfs/dbraw/zinc/64/76/82/347647682.db2.gz CTIZZKVBXMYOFC-SECBINFHSA-N 0 0 248.307 2.765 50 0 BFAARN Cc1ccc(NC(=O)Nc2ccc(O)cc2)cn1 ZINC000195575687 347648421 /nfs/dbraw/zinc/64/84/21/347648421.db2.gz OVAPGBDWKWIYIK-UHFFFAOYSA-N 0 0 243.266 2.740 50 0 BFAARN Cc1ccccc1CS[C@H](C)C(=O)NC1CC1 ZINC000058172234 179287690 /nfs/dbraw/zinc/28/76/90/179287690.db2.gz QOJGTQQYIWXLSA-LLVKDONJSA-N 0 0 249.379 2.895 50 0 BFAARN Cc1ccccc1Cn1c2ccccc2[nH]c1=O ZINC000006529476 179293122 /nfs/dbraw/zinc/29/31/22/179293122.db2.gz JVFYPHAFKJHFIY-UHFFFAOYSA-N 0 0 238.290 2.686 50 0 BFAARN Cc1ccccc1NC(=O)c1cccc(N)c1 ZINC000000406628 179303027 /nfs/dbraw/zinc/30/30/27/179303027.db2.gz WMADIBBIIJEEFR-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN Cc1ccccc1NC(=O)c1cscn1 ZINC000041506692 179303300 /nfs/dbraw/zinc/30/33/00/179303300.db2.gz XCADSNKPBHZWGC-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN Cc1ccccc1N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000101209824 179296525 /nfs/dbraw/zinc/29/65/25/179296525.db2.gz BKCOXCQCSDGIOZ-TXEJJXNPSA-N 0 0 243.306 2.675 50 0 BFAARN CC(C)C(=O)N1CCCc2sccc2C1 ZINC000593246039 347874258 /nfs/dbraw/zinc/87/42/58/347874258.db2.gz ANUHKXHWGLJKMO-UHFFFAOYSA-N 0 0 223.341 2.679 50 0 BFAARN Cc1ccccc1Oc1cc(N)cc(N)c1 ZINC000003099325 179314156 /nfs/dbraw/zinc/31/41/56/179314156.db2.gz KHVBPNNRENTGBD-UHFFFAOYSA-N 0 0 214.268 2.952 50 0 BFAARN Cc1ccccc1[C@@H](C)NC(=O)NCC1CC1 ZINC000012894380 179320350 /nfs/dbraw/zinc/32/03/50/179320350.db2.gz IGJCEUOLBHMIMX-LLVKDONJSA-N 0 0 232.327 2.765 50 0 BFAARN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+]([C@@H](C)C(=O)[O-])C1 ZINC000237580820 179329589 /nfs/dbraw/zinc/32/95/89/179329589.db2.gz ISUZEUDDYACWPR-FRRDWIJNSA-N 0 0 247.338 2.646 50 0 BFAARN Cc1ccccc1[C@H](NC(N)=O)c1ccccc1 ZINC000000436941 179343796 /nfs/dbraw/zinc/34/37/96/179343796.db2.gz VLBUUPJRYPTPGB-CQSZACIVSA-N 0 0 240.306 2.753 50 0 BFAARN Cc1cccnc1-c1ccnc2c1ccn2C ZINC000072131997 179355877 /nfs/dbraw/zinc/35/58/77/179355877.db2.gz WPWSLRKRNJYVOP-UHFFFAOYSA-N 0 0 223.279 2.944 50 0 BFAARN Cc1cccnc1C(=O)c1cc(F)ccc1F ZINC000045028690 179366498 /nfs/dbraw/zinc/36/64/98/179366498.db2.gz KSMXTNLXXPHBOJ-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1cccnc1C(=O)c1ccccc1F ZINC000045028661 179366742 /nfs/dbraw/zinc/36/67/42/179366742.db2.gz AXLWBDZSKXZBQM-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN Cc1cccnc1NC(=O)CCc1ccco1 ZINC000032868838 179388410 /nfs/dbraw/zinc/38/84/10/179388410.db2.gz GCRIFPUEEAVTCH-UHFFFAOYSA-N 0 0 230.267 2.554 50 0 BFAARN Cc1cccnc1NC(=O)C1CCCC1 ZINC000005394639 179388704 /nfs/dbraw/zinc/38/87/04/179388704.db2.gz JAJBIMAMMZANDV-UHFFFAOYSA-N 0 0 204.273 2.519 50 0 BFAARN c1cc(CNc2nc(C3CC3)ns2)co1 ZINC000129585516 490153022 /nfs/dbraw/zinc/15/30/22/490153022.db2.gz VDLZCOXALCKYIQ-UHFFFAOYSA-N 0 0 221.285 2.621 50 0 BFAARN Cc1ccn(C(=O)c2ccc(Cl)cc2)n1 ZINC000000359013 179399643 /nfs/dbraw/zinc/39/96/43/179399643.db2.gz CAZZADNNWBSLNH-UHFFFAOYSA-N 0 0 220.659 2.533 50 0 BFAARN Cc1ccn(Cc2cccc(Cl)c2)c(=O)c1 ZINC000069951987 179409422 /nfs/dbraw/zinc/40/94/22/179409422.db2.gz UDJYUZQXFVDTFL-UHFFFAOYSA-N 0 0 233.698 2.858 50 0 BFAARN Cc1cccc(Nc2csc(=O)[nH]2)c1 ZINC000016754480 362924040 /nfs/dbraw/zinc/92/40/40/362924040.db2.gz UOHZTZVRSZMUQT-UHFFFAOYSA-N 0 0 206.270 2.672 50 0 BFAARN O=C(c1ccco1)N1CCCC[C@H]1C(F)F ZINC000334803393 133749240 /nfs/dbraw/zinc/74/92/40/133749240.db2.gz MVRXVTJNEPSVRI-QMMMGPOBSA-N 0 0 229.226 2.539 50 0 BFAARN Cc1ccncc1C(=O)c1c(F)cccc1F ZINC000045029027 179474571 /nfs/dbraw/zinc/47/45/71/179474571.db2.gz QYSGDMLSXCVRSP-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1ccnn1-c1nc2ccccc2s1 ZINC000045235770 179499972 /nfs/dbraw/zinc/49/99/72/179499972.db2.gz YTZWLVAXZJMVEF-UHFFFAOYSA-N 0 0 215.281 2.790 50 0 BFAARN Cc1ccsc1-c1nc(-c2cnn(C)c2)no1 ZINC000078774338 179535009 /nfs/dbraw/zinc/53/50/09/179535009.db2.gz VWJWGMLQWNOPJK-UHFFFAOYSA-N 0 0 246.295 2.507 50 0 BFAARN Cc1cnc(CN[C@H](C)c2ncc(C)s2)o1 ZINC000097112415 179610886 /nfs/dbraw/zinc/61/08/86/179610886.db2.gz LOMRLGCYVCBYGZ-SECBINFHSA-N 0 0 237.328 2.599 50 0 BFAARN COC(=O)[C@H](C)Nc1c(C)cc(C)cc1C ZINC000000244100 348645802 /nfs/dbraw/zinc/64/58/02/348645802.db2.gz JOPXXCORTMWJHX-NSHDSACASA-N 0 0 221.300 2.585 50 0 biogenic BFAARN Cc1cnc(OC(C)C)c(Br)c1 ZINC000065337521 179643235 /nfs/dbraw/zinc/64/32/35/179643235.db2.gz IKMYONSIBTXMPU-UHFFFAOYSA-N 0 0 230.105 2.940 50 0 BFAARN Cc1ccc2onc(OC(=O)NC(C)C)c2c1 ZINC000000075949 187407379 /nfs/dbraw/zinc/40/73/79/187407379.db2.gz YMJFUAXBSIGBLW-UHFFFAOYSA-N 0 0 234.255 2.633 50 0 BFAARN CC(=O)n1nccc1[C@@H](C)Oc1ccccc1 ZINC000003016399 187410102 /nfs/dbraw/zinc/41/01/02/187410102.db2.gz WYZYDJRUMCONEN-SNVBAGLBSA-N 0 0 230.267 2.683 50 0 BFAARN COc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000035939841 187421744 /nfs/dbraw/zinc/42/17/44/187421744.db2.gz COSNGNOZECLPTG-NRUUGDAUSA-N 0 0 233.311 2.528 50 0 BFAARN Cc1ccc(SCC(=O)N2CCC2)cc1C ZINC000012975686 187415640 /nfs/dbraw/zinc/41/56/40/187415640.db2.gz TZWNYDFNMZVQML-UHFFFAOYSA-N 0 0 235.352 2.628 50 0 BFAARN Cc1csc(NC(=O)CC(C)(C)C)n1 ZINC000005700683 179784845 /nfs/dbraw/zinc/78/48/45/179784845.db2.gz CSVJYHGYFHPUEI-UHFFFAOYSA-N 0 0 212.318 2.826 50 0 BFAARN Cc1csc(NC(=O)Nc2ccc(O)cc2)n1 ZINC000097104535 179786377 /nfs/dbraw/zinc/78/63/77/179786377.db2.gz WPEFFJKCZSGJLY-UHFFFAOYSA-N 0 0 249.295 2.801 50 0 BFAARN CC(C)(O)c1ccccc1Br ZINC000001570545 190971585 /nfs/dbraw/zinc/97/15/85/190971585.db2.gz TXQKNSQVEWHJAQ-UHFFFAOYSA-N 0 0 215.090 2.677 50 0 BFAARN Cc1nc(-c2ccc3ccccc3c2)n[nH]1 ZINC000036960700 179810931 /nfs/dbraw/zinc/81/09/31/179810931.db2.gz TWZNFMUOTKLUGZ-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN CC(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000006158817 190976140 /nfs/dbraw/zinc/97/61/40/190976140.db2.gz FXUKKQSINSXDFT-UHFFFAOYSA-N 0 0 212.252 2.707 50 0 in-vitro BFAARN C/C=C/C=C\C(=O)Nc1ccc(F)cc1OC ZINC000045495350 187434601 /nfs/dbraw/zinc/43/46/01/187434601.db2.gz ALHDDVUEQLOOBV-ICWBMWKASA-N 0 0 235.258 2.905 50 0 BFAARN CCCCCCS[C@@H]1CCN(C)C1=O ZINC000185624551 349360299 /nfs/dbraw/zinc/36/02/99/349360299.db2.gz BAFFKIKVARWYHG-SNVBAGLBSA-N 0 0 215.362 2.531 50 0 BFAARN C/C=C/C=C/C(=O)Nc1ncc(C)s1 ZINC000036391250 190987074 /nfs/dbraw/zinc/98/70/74/190987074.db2.gz PEHBUWDHVGXXIC-VNKDHWASSA-N 0 0 208.286 2.522 50 0 BFAARN Cc1cccc(CC(=O)Cc2cccnc2)c1 ZINC000053130243 190998874 /nfs/dbraw/zinc/99/88/74/190998874.db2.gz GDYBAGYZRWPQEK-UHFFFAOYSA-N 0 0 225.291 2.744 50 0 BFAARN CNc1cc(Br)cnc1Cl ZINC000091351667 191003227 /nfs/dbraw/zinc/00/32/27/191003227.db2.gz DGFFPZUWFKKUAI-UHFFFAOYSA-N 0 0 221.485 2.539 50 0 BFAARN O=C(CCC(F)(F)F)c1cccnc1 ZINC000070915012 350073838 /nfs/dbraw/zinc/07/38/38/350073838.db2.gz ANQVODXCSVSYRE-UHFFFAOYSA-N 0 0 203.163 2.607 50 0 BFAARN Cc1nc(CNC(=O)c2ccccc2C)cs1 ZINC000015832146 179965895 /nfs/dbraw/zinc/96/58/95/179965895.db2.gz HDXVTTXOBSIGJN-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN COc1ccc(CNc2cc(C)on2)cc1F ZINC000083363063 191007492 /nfs/dbraw/zinc/00/74/92/191007492.db2.gz XAYZHVBFJXIINS-UHFFFAOYSA-N 0 0 236.246 2.743 50 0 BFAARN Cc1ccc(COC(=O)c2cccn2C)cc1 ZINC000007780592 350106404 /nfs/dbraw/zinc/10/64/04/350106404.db2.gz UERUXVLFOPBQJR-UHFFFAOYSA-N 0 0 229.279 2.691 50 0 BFAARN Cc1nc(NC(=O)NCCC(C)(C)C)oc1C ZINC000049211864 180009018 /nfs/dbraw/zinc/00/90/18/180009018.db2.gz IOODDXKICFXRQI-UHFFFAOYSA-N 0 0 239.319 2.849 50 0 BFAARN Cc1nc(NC(=O)c2cccnc2)ccc1Cl ZINC000010119524 180014422 /nfs/dbraw/zinc/01/44/22/180014422.db2.gz NYQTVBFHMCGIDL-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1nc(SCc2ccccc2)[nH]c(=O)c1C ZINC000005155234 180031377 /nfs/dbraw/zinc/03/13/77/180031377.db2.gz VAKYIGGBKLFYJY-UHFFFAOYSA-N 0 0 246.335 2.679 50 0 BFAARN Cc1nc2c(cccc2Br)[nH]1 ZINC000034750393 180059221 /nfs/dbraw/zinc/05/92/21/180059221.db2.gz HQNGOOZSFZDLKJ-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1nc2nc(-c3ccco3)nn2c(C)c1Cl ZINC000000528517 180114809 /nfs/dbraw/zinc/11/48/09/180114809.db2.gz DKWSXTXLQJALAS-UHFFFAOYSA-N 0 0 248.673 2.655 50 0 BFAARN CCc1nc(-c2cccc3cccnc32)n(C)n1 ZINC000426421149 191045139 /nfs/dbraw/zinc/04/51/39/191045139.db2.gz LULXBDXRYURXIN-UHFFFAOYSA-N 0 0 238.294 2.593 50 0 BFAARN Cc1nc2sc3ccccc3n2c1C=O ZINC000004384434 180116657 /nfs/dbraw/zinc/11/66/57/180116657.db2.gz QIPHXUDTMCOVMO-UHFFFAOYSA-N 0 0 216.265 2.670 50 0 BFAARN Cc1nc2sc3c(ncnc3N)c2c(C)c1C ZINC000000084214 180117149 /nfs/dbraw/zinc/11/71/49/180117149.db2.gz ZHOGWCBNPGYLOR-UHFFFAOYSA-N 0 0 244.323 2.747 50 0 BFAARN Cc1ncc(NC(=O)OC(C)(C)C)s1 ZINC000082164223 180169038 /nfs/dbraw/zinc/16/90/38/180169038.db2.gz LTEBHMFRYPZULH-UHFFFAOYSA-N 0 0 214.290 2.799 50 0 BFAARN Cc1nccc(NC(=O)c2cccnc2)c1Cl ZINC000097080063 180198223 /nfs/dbraw/zinc/19/82/23/180198223.db2.gz ZIQMDHKGMRDAGB-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1nccc(Sc2cccs2)n1 ZINC000097212652 180207093 /nfs/dbraw/zinc/20/70/93/180207093.db2.gz FGPYXCVNEARWJC-UHFFFAOYSA-N 0 0 208.311 2.998 50 0 BFAARN CCCCC(=O)NCCCc1ccccc1 ZINC000006039677 168618211 /nfs/dbraw/zinc/61/82/11/168618211.db2.gz YTKVYELVMLGADY-UHFFFAOYSA-N 0 0 219.328 2.926 50 0 BFAARN CCCCC(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC000096409459 168623147 /nfs/dbraw/zinc/62/31/47/168623147.db2.gz XPFIERKTXCSNAQ-MNOVXSKESA-N 0 0 229.389 2.967 50 0 BFAARN Cc1nccn1-c1ccc(C(F)(F)F)cn1 ZINC000004810376 180229137 /nfs/dbraw/zinc/22/91/37/180229137.db2.gz WNGRGSORRQXMGX-UHFFFAOYSA-N 0 0 227.189 2.595 50 0 BFAARN C[C@@H](Cc1cccs1)NC(=O)c1ccoc1 ZINC000033205463 350224680 /nfs/dbraw/zinc/22/46/80/350224680.db2.gz MHMCVDBZPXFYLL-VIFPVBQESA-N 0 0 235.308 2.702 50 0 BFAARN CCOC(=O)CCCc1ccc(C(C)=O)cc1 ZINC000034411122 350265490 /nfs/dbraw/zinc/26/54/90/350265490.db2.gz AIWVXEZVUBWIOG-UHFFFAOYSA-N 0 0 234.295 2.775 50 0 BFAARN COC(=O)c1csc(C(F)(F)F)c1 ZINC000223394137 350275354 /nfs/dbraw/zinc/27/53/54/350275354.db2.gz RQHJZTIWHSEZMF-UHFFFAOYSA-N 0 0 210.176 2.554 50 0 BFAARN CO[C@@H](C)c1ccc(-c2ncnc(N)c2C)cc1 ZINC000426504019 191093676 /nfs/dbraw/zinc/09/36/76/191093676.db2.gz PEMMLDLXPFYUCW-JTQLQIEISA-N 0 0 243.310 2.572 50 0 BFAARN C=CC(=O)N1CCC[C@H]1c1ccsc1 ZINC000037831697 350287767 /nfs/dbraw/zinc/28/77/67/350287767.db2.gz VLWDVCRXKFMMKW-JTQLQIEISA-N 0 0 207.298 2.598 50 0 BFAARN C=CC(=O)N1CCC[C@H]1c1cccs1 ZINC000037828586 350287774 /nfs/dbraw/zinc/28/77/74/350287774.db2.gz LKIMCRSPMPIFIY-VIFPVBQESA-N 0 0 207.298 2.598 50 0 BFAARN Cc1c(C(=O)N[C@@H](C)C2=CCCCC2)ccn1C ZINC000426521205 191096342 /nfs/dbraw/zinc/09/63/42/191096342.db2.gz IXWVWTFFEYJACD-NSHDSACASA-N 0 0 246.354 2.952 50 0 BFAARN CCc1nc(-c2ccc(OC(C)C)cc2)n(C)n1 ZINC000426580999 191097033 /nfs/dbraw/zinc/09/70/33/191097033.db2.gz MEYGKUWZOJRFPZ-UHFFFAOYSA-N 0 0 245.326 2.832 50 0 BFAARN Cc1ccsc1C(=O)NCCCOC(C)C ZINC000040161077 350357367 /nfs/dbraw/zinc/35/73/67/350357367.db2.gz KJQOBXCGTIVHRK-UHFFFAOYSA-N 0 0 241.356 2.601 50 0 BFAARN Nc1nn(CC2CCC2)c2ccc(F)cc12 ZINC000040449023 350365187 /nfs/dbraw/zinc/36/51/87/350365187.db2.gz WPILEQMYWRPTRW-UHFFFAOYSA-N 0 0 219.263 2.558 50 0 BFAARN c1cc(-c2nnc(NC3CCCCC3)o2)ccn1 ZINC000039077346 350330318 /nfs/dbraw/zinc/33/03/18/350330318.db2.gz NUKZYENJGRLMDB-UHFFFAOYSA-N 0 0 244.298 2.876 50 0 BFAARN COCc1c(C)cc(C)c(COC)c1C ZINC000000393526 350332319 /nfs/dbraw/zinc/33/23/19/350332319.db2.gz NJMSEUIXUBOMQN-UHFFFAOYSA-N 0 0 208.301 2.905 50 0 BFAARN CC(C)CNC(=O)c1cc2sccc2n1C ZINC000040786185 350398548 /nfs/dbraw/zinc/39/85/48/350398548.db2.gz LFAYMLXGAFGMNG-UHFFFAOYSA-N 0 0 236.340 2.626 50 0 BFAARN O=C1CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000075874114 490544336 /nfs/dbraw/zinc/54/43/36/490544336.db2.gz IAUNYVJDGLCIPA-UHFFFAOYSA-N 0 0 243.228 2.828 50 0 BFAARN COc1ccc(CNc2cc(C)on2)c(OC)c1 ZINC000083378386 187451854 /nfs/dbraw/zinc/45/18/54/187451854.db2.gz CSDGBDQXNWHUIM-UHFFFAOYSA-N 0 0 248.282 2.612 50 0 BFAARN CC(C)=CC(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000076068302 362965669 /nfs/dbraw/zinc/96/56/69/362965669.db2.gz ZERBPDKPUXZRFH-CQSZACIVSA-N 0 0 245.322 2.553 50 0 BFAARN Cc1nnc(CN2CCC=Cc3ccccc32)o1 ZINC000191287890 180405770 /nfs/dbraw/zinc/40/57/70/180405770.db2.gz BOILTRAEHQVRPQ-UHFFFAOYSA-N 0 0 241.294 2.802 50 0 BFAARN C[C@H]1CCC[C@H](OCC(=O)N2CCCCC2)C1 ZINC000089927336 362963768 /nfs/dbraw/zinc/96/37/68/362963768.db2.gz AMKNCCICPVHDHK-STQMWFEESA-N 0 0 239.359 2.594 50 0 BFAARN Cc1nnc(CNc2cccc(F)c2)s1 ZINC000335691629 180415504 /nfs/dbraw/zinc/41/55/04/180415504.db2.gz OCGNCGJVGCPNNN-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN CCCc1ncc(C(=O)N2CCCCC2)s1 ZINC000089960526 187453705 /nfs/dbraw/zinc/45/37/05/187453705.db2.gz CARCQEWPMHZSRK-UHFFFAOYSA-N 0 0 238.356 2.722 50 0 BFAARN CCSCC(=O)c1cccc(OC)c1 ZINC000037353137 362968613 /nfs/dbraw/zinc/96/86/13/362968613.db2.gz YQYCIZJHJSALNN-UHFFFAOYSA-N 0 0 210.298 2.631 50 0 BFAARN Cc1nnc(Nc2ccc(F)cc2)s1 ZINC000000088832 180437787 /nfs/dbraw/zinc/43/77/87/180437787.db2.gz ZGXRAPSCFCDLMH-UHFFFAOYSA-N 0 0 209.249 2.729 50 0 BFAARN Cc1ccc(/C=C\C(=O)NCCc2ccco2)o1 ZINC000096647435 187456888 /nfs/dbraw/zinc/45/68/88/187456888.db2.gz FYQPDNKRAMVLMS-SREVYHEPSA-N 0 0 245.278 2.553 50 0 BFAARN CCCCCC(=O)Nc1cc(N)ccc1OC ZINC000008703552 168641451 /nfs/dbraw/zinc/64/14/51/168641451.db2.gz LTCVEROHOYCYRL-UHFFFAOYSA-N 0 0 236.315 2.796 50 0 BFAARN CC(=O)c1ccc(NC(=O)COCC(C)C)cc1 ZINC000098087209 187457922 /nfs/dbraw/zinc/45/79/22/187457922.db2.gz UEJPKEBLYCBLPQ-UHFFFAOYSA-N 0 0 249.310 2.500 50 0 BFAARN CC(C)(C)[C@]1(C)Oc2cccc(O)c2O1 ZINC000000345585 191117127 /nfs/dbraw/zinc/11/71/27/191117127.db2.gz QKBYZSNVIUNUAD-GFCCVEGCSA-N 0 0 208.257 2.926 50 0 BFAARN COc1ccccc1NC(=O)OC(C)C ZINC000000396518 191117252 /nfs/dbraw/zinc/11/72/52/191117252.db2.gz HACJXSGWCAADTR-UHFFFAOYSA-N 0 0 209.245 2.652 50 0 BFAARN Cc1noc(C)c1CO[C@H]1CCCc2c[nH]nc21 ZINC000188941346 180475144 /nfs/dbraw/zinc/47/51/44/180475144.db2.gz VFRWCTFVXWEJAP-LBPRGKRZSA-N 0 0 247.298 2.609 50 0 BFAARN C[C@H]1CCCCCN1C(=O)C1CC=CC1 ZINC000104131554 187460302 /nfs/dbraw/zinc/46/03/02/187460302.db2.gz HWJRXOSXSXDYTJ-NSHDSACASA-N 0 0 207.317 2.744 50 0 BFAARN O=C([O-])C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000095960014 350666157 /nfs/dbraw/zinc/66/61/57/350666157.db2.gz UBGKSUZGRGMOIL-LLVKDONJSA-N 0 0 239.702 2.562 50 0 BFAARN CCCCCC(=O)n1c2ccccc2oc1=O ZINC000002270653 168643176 /nfs/dbraw/zinc/64/31/76/168643176.db2.gz NOBIILKREWPKGY-UHFFFAOYSA-N 0 0 233.267 2.815 50 0 BFAARN CCOc1cnc(Cc2ccccc2)o1 ZINC000001382611 191117737 /nfs/dbraw/zinc/11/77/37/191117737.db2.gz LNWIFVRCYQEDGD-UHFFFAOYSA-N 0 0 203.241 2.664 50 0 BFAARN C(=NNc1ccccc1)c1ccc2c(c1)OCO2 ZINC000016982370 362976039 /nfs/dbraw/zinc/97/60/39/362976039.db2.gz BXPJESDAKFUKSF-UHFFFAOYSA-N 0 0 240.262 2.861 50 0 BFAARN Cc1cc(CS[C@H](C)c2nc(C)no2)no1 ZINC000071818637 180496236 /nfs/dbraw/zinc/49/62/36/180496236.db2.gz HZNACRXNSDJWME-SSDOTTSWSA-N 0 0 239.300 2.669 50 0 BFAARN CC1(c2cccc(Br)c2)COC1 ZINC000142662719 187470072 /nfs/dbraw/zinc/47/00/72/187470072.db2.gz BYQATFJUFANHBN-UHFFFAOYSA-N 0 0 227.101 2.737 50 0 BFAARN C/C=C/C(=O)Nc1ccc(C(=O)CC)cc1 ZINC000005916417 191123318 /nfs/dbraw/zinc/12/33/18/191123318.db2.gz OCSCMXVCYUELCQ-HWKANZROSA-N 0 0 217.268 2.794 50 0 BFAARN Cc1occc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000000476879 180537667 /nfs/dbraw/zinc/53/76/67/180537667.db2.gz JENVRFLBGVMGSO-NXEZZACHSA-N 0 0 221.300 2.706 50 0 BFAARN CS[C@@H](CNC(=O)c1ccco1)C(C)(C)C ZINC000343429766 350969316 /nfs/dbraw/zinc/96/93/16/350969316.db2.gz FWCLDKQFINLSAC-JTQLQIEISA-N 0 0 241.356 2.787 50 0 BFAARN C[C@@H](O)c1cccc(NC(=O)C2CCCC2)c1 ZINC000001017193 350979953 /nfs/dbraw/zinc/97/99/53/350979953.db2.gz GBQPHPIVXWBEII-SNVBAGLBSA-N 0 0 233.311 2.869 50 0 BFAARN CCc1ccc(C(=O)NCc2ccncc2)s1 ZINC000001055764 350991539 /nfs/dbraw/zinc/99/15/39/350991539.db2.gz KHSPUSLSNQPKFQ-UHFFFAOYSA-N 0 0 246.335 2.636 50 0 BFAARN CC[C@]1(C)OC(=O)N(c2ccccc2)[C@]1(C)O ZINC000001055178 350992120 /nfs/dbraw/zinc/99/21/20/350992120.db2.gz HZYGFMWHYMVDFI-QWHCGFSZSA-N 0 0 235.283 2.520 50 0 BFAARN Cc1onc(C(=O)NC2CCCCCC2)c1C ZINC000013641080 180552007 /nfs/dbraw/zinc/55/20/07/180552007.db2.gz VRNQLHUQHCCICQ-UHFFFAOYSA-N 0 0 236.315 2.744 50 0 BFAARN Cc1sc(N)c(C(=O)NC2CCCC2)c1C ZINC000009246153 180558508 /nfs/dbraw/zinc/55/85/08/180558508.db2.gz VFJSQHMGQSSDTJ-UHFFFAOYSA-N 0 0 238.356 2.620 50 0 BFAARN Clc1cc2c[nH]nc2c(Br)c1 ZINC000016125214 180574930 /nfs/dbraw/zinc/57/49/30/180574930.db2.gz CTXAUTRSBNWONT-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Clc1cc2n[nH]cc2c(Br)c1 ZINC000014983106 180574449 /nfs/dbraw/zinc/57/44/49/180574449.db2.gz KCDKINCUTSIQAF-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN CC1(C)CCC(Br)=C(CO)C1 ZINC000168118878 187475152 /nfs/dbraw/zinc/47/51/52/187475152.db2.gz HDNZYMKCYWLHGA-UHFFFAOYSA-N 0 0 219.122 2.838 50 0 BFAARN Clc1ccc(-c2nnc(CNC3CC3)o2)cc1 ZINC000003379413 180577458 /nfs/dbraw/zinc/57/74/58/180577458.db2.gz VOLNNXCXRJEBDK-UHFFFAOYSA-N 0 0 249.701 2.642 50 0 BFAARN COC(=O)COc1cc(Cl)ccc1Cl ZINC000034936560 351349279 /nfs/dbraw/zinc/34/92/79/351349279.db2.gz QZJWFWJVECNSMD-UHFFFAOYSA-N 0 0 235.066 2.545 50 0 BFAARN CCc1ccccc1NC(=O)CCSC ZINC000012866532 187479241 /nfs/dbraw/zinc/47/92/41/187479241.db2.gz SZCBFLGJSHVXEX-UHFFFAOYSA-N 0 0 223.341 2.941 50 0 BFAARN CC[C@@H](C)NC(=O)/C=C\c1ccccc1 ZINC000017160870 363037820 /nfs/dbraw/zinc/03/78/20/363037820.db2.gz HOKNEZLZDQSGDN-DWOQACPDSA-N 0 0 203.285 2.615 50 0 BFAARN Clc1cncc(Nc2ccccc2)n1 ZINC000038585533 180599417 /nfs/dbraw/zinc/59/94/17/180599417.db2.gz IMACCNVRJOXLEO-UHFFFAOYSA-N 0 0 205.648 2.874 50 0 BFAARN COc1n[nH]c(-c2ccccc2OCC(C)C)n1 ZINC000426641477 191144152 /nfs/dbraw/zinc/14/41/52/191144152.db2.gz VSGJHMWMWLAHGF-UHFFFAOYSA-N 0 0 247.298 2.515 50 0 BFAARN C[C@H](Sc1nc[nH]n1)c1ccccc1F ZINC000044029594 352131276 /nfs/dbraw/zinc/13/12/76/352131276.db2.gz GZKGMGYNDHTLAQ-ZETCQYMHSA-N 0 0 223.276 2.797 50 0 BFAARN O=Cc1sccc1-c1cccc(O)c1 ZINC000725270152 538102020 /nfs/dbraw/zinc/10/20/20/538102020.db2.gz XYTKNYSILOBGMR-UHFFFAOYSA-N 0 0 204.250 2.933 50 0 BFAARN Cc1cc(C)cc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000003407275 352179181 /nfs/dbraw/zinc/17/91/81/352179181.db2.gz YVJFZFXJJRAQDO-ZYHUDNBSSA-N 0 0 203.285 2.898 50 0 BFAARN CCCCCCNC(=O)N[C@H](C)CC ZINC000039971586 168664830 /nfs/dbraw/zinc/66/48/30/168664830.db2.gz XZJYTTHBEZBVGM-SNVBAGLBSA-N 0 0 200.326 2.664 50 0 BFAARN CCCCCCNC(=O)c1ccccc1 ZINC000003047732 168666667 /nfs/dbraw/zinc/66/66/67/168666667.db2.gz MLDQPOXOWLCOEC-UHFFFAOYSA-N 0 0 205.301 2.997 50 0 BFAARN CCC(=O)c1nc2ccccc2nc1CC ZINC000604941586 352408273 /nfs/dbraw/zinc/40/82/73/352408273.db2.gz MZHPEBFRSGLPAV-UHFFFAOYSA-N 0 0 214.268 2.785 50 0 BFAARN O=C1CCCc2occ(Br)c21 ZINC000725272361 538104124 /nfs/dbraw/zinc/10/41/24/538104124.db2.gz PIINMJDWPRICFI-UHFFFAOYSA-N 0 0 215.046 2.561 50 0 BFAARN Cn1ccnc1SCCc1ccccc1 ZINC000040013431 180754676 /nfs/dbraw/zinc/75/46/76/180754676.db2.gz XNEAUGLTMNKZAD-UHFFFAOYSA-N 0 0 218.325 2.755 50 0 BFAARN CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000408069 187755702 /nfs/dbraw/zinc/75/57/02/187755702.db2.gz BJWFSDFXPISTBZ-UHFFFAOYSA-N 0 0 204.056 2.952 50 0 BFAARN OCc1cccnc1Sc1ccccc1 ZINC000003105773 187756541 /nfs/dbraw/zinc/75/65/41/187756541.db2.gz AITNVOMCXOUNME-UHFFFAOYSA-N 0 0 217.293 2.725 50 0 BFAARN COc1ccccc1NC(=O)NCc1ccco1 ZINC000003063382 187756794 /nfs/dbraw/zinc/75/67/94/187756794.db2.gz POQYEFCKAABNKO-UHFFFAOYSA-N 0 0 246.266 2.610 50 0 BFAARN C/C=C/C(=O)OCc1ccccc1Cl ZINC000005020742 187757379 /nfs/dbraw/zinc/75/73/79/187757379.db2.gz CDJFNSXUIGKURZ-GORDUTHDSA-N 0 0 210.660 2.959 50 0 BFAARN CC(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000013331530 187760622 /nfs/dbraw/zinc/76/06/22/187760622.db2.gz MHYWAOIBAMAHGO-UHFFFAOYSA-N 0 0 220.659 2.728 50 0 BFAARN CN(C)c1ccccc1NC(=O)c1ccoc1 ZINC000029712693 352671417 /nfs/dbraw/zinc/67/14/17/352671417.db2.gz DARXZMMXHQEBEB-UHFFFAOYSA-N 0 0 230.267 2.598 50 0 BFAARN CC(C)=CC(=O)Nc1ccc2c(c1)NCCC2 ZINC000069052881 187766647 /nfs/dbraw/zinc/76/66/47/187766647.db2.gz VDLQMWGMLLMNKD-UHFFFAOYSA-N 0 0 230.311 2.949 50 0 BFAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccn(C)n2)C1(C)C ZINC000058424047 187783035 /nfs/dbraw/zinc/78/30/35/187783035.db2.gz AQTPEKSWUJLIOI-PWSUYJOCSA-N 0 0 247.342 2.597 50 0 BFAARN Cc1cc2nc(C)c3c(n2n1)CC(C)(C)CC3=O ZINC000065362868 187785540 /nfs/dbraw/zinc/78/55/40/187785540.db2.gz PYUIGHAZKVYRRR-UHFFFAOYSA-N 0 0 243.310 2.501 50 0 BFAARN Cc1ccc(C)c(CS[C@H]2CCOC2=O)c1 ZINC000069811821 187786218 /nfs/dbraw/zinc/78/62/18/187786218.db2.gz WHBPWEDRHOTHOU-LBPRGKRZSA-N 0 0 236.336 2.852 50 0 BFAARN CC(C)C[C@H](C)NC(=O)c1cccs1 ZINC000019881380 187827116 /nfs/dbraw/zinc/82/71/16/187827116.db2.gz YAUJEFWVBJVRAG-VIFPVBQESA-N 0 0 211.330 2.913 50 0 BFAARN COc1cccc(-c2ccc(N)cc2)c1OC ZINC000139951598 538109687 /nfs/dbraw/zinc/10/96/87/538109687.db2.gz SLZUQWZXCNYQTK-UHFFFAOYSA-N 0 0 229.279 2.953 50 0 BFAARN Cc1ccc(C2OCCO2)cc1Br ZINC000107710676 188098422 /nfs/dbraw/zinc/09/84/22/188098422.db2.gz YTQXPAWDHPRBBM-UHFFFAOYSA-N 0 0 243.100 2.803 50 0 BFAARN CC(=N)NC(=S)Nc1ccc(Cl)cc1 ZINC000000164497 188098512 /nfs/dbraw/zinc/09/85/12/188098512.db2.gz FYMUROWIMOOTLC-UHFFFAOYSA-N 0 0 227.720 2.624 50 0 BFAARN O=c1oc2cc(O)ccc2c2c1CCCCC2 ZINC000000465342 188099286 /nfs/dbraw/zinc/09/92/86/188099286.db2.gz XWZHCDCMXBLZFJ-UHFFFAOYSA-N 0 0 230.263 2.768 50 0 biogenic BFAARN Cc1ccc(OCCn2ccnc2)c(C)c1 ZINC000000433378 188099391 /nfs/dbraw/zinc/09/93/91/188099391.db2.gz XBSOMCCNCMUWIC-UHFFFAOYSA-N 0 0 216.284 2.579 50 0 BFAARN COc1ccc(OC)c(NC(=O)C2CCCC2)c1 ZINC000000362503 188099416 /nfs/dbraw/zinc/09/94/16/188099416.db2.gz GMZSYRSBAMAPFL-UHFFFAOYSA-N 0 0 249.310 2.833 50 0 BFAARN CC(=O)Nc1ccc(C)cc1Br ZINC000000271044 188099419 /nfs/dbraw/zinc/09/94/19/188099419.db2.gz UUDGTWKIIUEVJD-UHFFFAOYSA-N 0 0 228.089 2.716 50 0 BFAARN CC(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000000356136 188099512 /nfs/dbraw/zinc/09/95/12/188099512.db2.gz WGGVDOFTTMYSRV-UHFFFAOYSA-N 0 0 240.262 2.537 50 0 BFAARN Cc1cccc(NC(=O)c2ccncc2)c1C ZINC000000362132 188099615 /nfs/dbraw/zinc/09/96/15/188099615.db2.gz GBXNRMKAPVSHLB-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN COc1ccc([C@H]2CC(=O)C(C)(C)O2)cc1 ZINC000000484930 188099735 /nfs/dbraw/zinc/09/97/35/188099735.db2.gz AAJJPLKUORUBGJ-LLVKDONJSA-N 0 0 220.268 2.504 50 0 biogenic BFAARN CC1(C)C[C@H](C(=O)Nc2ccccc2)CCO1 ZINC000000522196 188099794 /nfs/dbraw/zinc/09/97/94/188099794.db2.gz UZWCQCTWOKZZCM-LLVKDONJSA-N 0 0 233.311 2.830 50 0 BFAARN Cc1ccc(C(=O)N2CCc3ccccc32)o1 ZINC000000475560 188099838 /nfs/dbraw/zinc/09/98/38/188099838.db2.gz BCAWTJYFMQTQTN-UHFFFAOYSA-N 0 0 227.263 2.791 50 0 BFAARN CC(=O)Nc1nc2c(s1)c(C)ccc2C ZINC000004330730 188101796 /nfs/dbraw/zinc/10/17/96/188101796.db2.gz AGTMSKUIPBRYFR-UHFFFAOYSA-N 0 0 220.297 2.872 50 0 BFAARN CC1(C)OC(=O)N2CCc3sccc3[C@@]21C ZINC000006668435 188102962 /nfs/dbraw/zinc/10/29/62/188102962.db2.gz MLLISFAQTWSGPF-GFCCVEGCSA-N 0 0 237.324 2.750 50 0 BFAARN COc1ccc([C@@H](C)NC(=O)C2CCC2)cc1 ZINC000006742646 188103415 /nfs/dbraw/zinc/10/34/15/188103415.db2.gz TUWTWMRYCPSSOA-SNVBAGLBSA-N 0 0 233.311 2.673 50 0 BFAARN O=Cc1ccc(Sc2ccccn2)o1 ZINC000011535888 188104069 /nfs/dbraw/zinc/10/40/69/188104069.db2.gz NWJZBQDKKLHSBP-UHFFFAOYSA-N 0 0 205.238 2.638 50 0 BFAARN CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000036396690 188104167 /nfs/dbraw/zinc/10/41/67/188104167.db2.gz ALBNAMOVZDKRBH-LBPRGKRZSA-N 0 0 209.264 2.659 50 0 BFAARN O=c1[nH]c(-c2ccc(F)cc2)nc2ccccc21 ZINC000011617361 188105019 /nfs/dbraw/zinc/10/50/19/188105019.db2.gz IXMXCFSRQIHRHB-UHFFFAOYSA-N 0 0 240.237 2.729 50 0 BFAARN COc1ccc(Nc2ccnc(Cl)n2)cc1 ZINC000026898642 188110030 /nfs/dbraw/zinc/11/00/30/188110030.db2.gz SEAAMKRQIGYXRB-UHFFFAOYSA-N 0 0 235.674 2.882 50 0 BFAARN CC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000036623787 188112875 /nfs/dbraw/zinc/11/28/75/188112875.db2.gz IEYFBALZDGJATC-UHFFFAOYSA-N 0 0 244.294 2.554 50 0 BFAARN CCOc1cc(Br)ccc1OC ZINC000038536951 188117146 /nfs/dbraw/zinc/11/71/46/188117146.db2.gz WWHVUIQBSPEWNK-UHFFFAOYSA-N 0 0 231.089 2.856 50 0 BFAARN CC(C)CO[C@@H](C)C(=O)Nc1ccc(F)cc1 ZINC000040521087 188118627 /nfs/dbraw/zinc/11/86/27/188118627.db2.gz SUYZFURALQUZGH-JTQLQIEISA-N 0 0 239.290 2.825 50 0 BFAARN CC(C)(C)c1cc(N)nc(C(C)(C)C)n1 ZINC000044262991 188123256 /nfs/dbraw/zinc/12/32/56/188123256.db2.gz BOVPBWMWRQMJNO-UHFFFAOYSA-N 0 0 207.321 2.654 50 0 BFAARN Cc1ccnc(C(=O)c2cccc(F)c2F)c1 ZINC000045028627 188123443 /nfs/dbraw/zinc/12/34/43/188123443.db2.gz AGCRHEJEARBMAZ-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1ccnc(C(=O)c2c(F)cccc2F)c1 ZINC000045028630 188123641 /nfs/dbraw/zinc/12/36/41/188123641.db2.gz LAACYYMKRAZLDS-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1ccc(C(=O)c2ccc(F)c(F)c2)cn1 ZINC000045029095 188123702 /nfs/dbraw/zinc/12/37/02/188123702.db2.gz QGWOWONKMKCWGJ-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1ccc(C(=O)c2ccc(C)nc2)cc1 ZINC000045029056 188123737 /nfs/dbraw/zinc/12/37/37/188123737.db2.gz XCAPKIYMEMJROS-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN CC(C)C[C@H]1Nc2ccccc2C(=O)N1C ZINC000049538542 188124645 /nfs/dbraw/zinc/12/46/45/188124645.db2.gz NGUZNKWTSCVVSN-LBPRGKRZSA-N 0 0 218.300 2.556 50 0 biogenic BFAARN Cc1ccc(OC[C@@H](C)NC(=O)C(C)C)cc1 ZINC000067086382 188128957 /nfs/dbraw/zinc/12/89/57/188128957.db2.gz BMIRQWDSQNGKMY-GFCCVEGCSA-N 0 0 235.327 2.535 50 0 BFAARN OCc1ccccc1-c1nccc2occc21 ZINC000065530519 188129307 /nfs/dbraw/zinc/12/93/07/188129307.db2.gz ZASNAFPSUXAEGI-UHFFFAOYSA-N 0 0 225.247 2.987 50 0 BFAARN Cc1ccnc(-n2ccnc2-c2ccccn2)c1 ZINC000065488158 188129392 /nfs/dbraw/zinc/12/93/92/188129392.db2.gz ALHCRSJIKWLXGU-UHFFFAOYSA-N 0 0 236.278 2.638 50 0 BFAARN CC(C)[C@@H]1CN(C(=O)C(C)(C)C)CCS1 ZINC000076067375 188134260 /nfs/dbraw/zinc/13/42/60/188134260.db2.gz GQBWFTNWBIJZIH-JTQLQIEISA-N 0 0 229.389 2.633 50 0 BFAARN FC(F)(F)Oc1ccccc1-c1nnco1 ZINC000095215922 180888240 /nfs/dbraw/zinc/88/82/40/180888240.db2.gz CCDKBAUGABEGJE-UHFFFAOYSA-N 0 0 230.145 2.635 50 0 BFAARN CCCCCNC(=O)c1ccc(C)cc1 ZINC000001583823 168713287 /nfs/dbraw/zinc/71/32/87/168713287.db2.gz JDQZYLHVNMQHFF-UHFFFAOYSA-N 0 0 205.301 2.915 50 0 BFAARN Cc1cccc(C(=O)C(C)(C)N(C)C)c1 ZINC000085734563 188143052 /nfs/dbraw/zinc/14/30/52/188143052.db2.gz IMQXGLUSSRZKKN-UHFFFAOYSA-N 0 0 205.301 2.518 50 0 BFAARN CC1(C)O[C@@H]2CCC=C(Br)[C@H]2O1 ZINC000006202170 188157577 /nfs/dbraw/zinc/15/75/77/188157577.db2.gz BNLUNMGTGCQECR-HTQZYQBOSA-N 0 0 233.105 2.579 50 0 BFAARN CC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000000208313 188158471 /nfs/dbraw/zinc/15/84/71/188158471.db2.gz YYRJXZYGFGRTQT-UHFFFAOYSA-N 0 0 225.317 2.544 50 0 BFAARN CNC(=O)c1ccccc1-c1ccccc1 ZINC000000618249 188158573 /nfs/dbraw/zinc/15/85/73/188158573.db2.gz UERSZVOVPLBEHC-UHFFFAOYSA-N 0 0 211.264 2.713 50 0 BFAARN CC(C)c1ccc(C(=O)CN(C)C)cc1 ZINC000000247387 188158814 /nfs/dbraw/zinc/15/88/14/188158814.db2.gz BPVSFKBRFRXKOW-UHFFFAOYSA-N 0 0 205.301 2.554 50 0 BFAARN FC(F)(F)c1cnccc1Br ZINC000030714826 180897771 /nfs/dbraw/zinc/89/77/71/180897771.db2.gz RLVNVSDFDCYSAY-UHFFFAOYSA-N 0 0 225.995 2.863 50 0 BFAARN CC1(C)COC2(C[C@H]3C=CC[C@H]3C2)OC1 ZINC000095929134 188147609 /nfs/dbraw/zinc/14/76/09/188147609.db2.gz MFPZHVAUQQEPCD-MNOVXSKESA-N 0 0 208.301 2.742 50 0 BFAARN CC(=O)N1CCS[C@@H](c2ccccc2)CC1 ZINC000211139746 188177899 /nfs/dbraw/zinc/17/78/99/188177899.db2.gz BYMSEKCFMZLRHR-CYBMUJFWSA-N 0 0 235.352 2.713 50 0 BFAARN CC(=O)N1CCCC2(CCCCC2)CC1 ZINC000225550180 188181831 /nfs/dbraw/zinc/18/18/31/188181831.db2.gz MYYYGDYOKPBBSF-UHFFFAOYSA-N 0 0 209.333 2.969 50 0 BFAARN FC(F)[C@@H]1C[C@@H](c2ccco2)Nc2ccnn21 ZINC000002783357 180907710 /nfs/dbraw/zinc/90/77/10/180907710.db2.gz HMUFMRKIUCOGLX-YUMQZZPRSA-N 0 0 239.225 2.839 50 0 BFAARN CCc1[nH]nc(N[C@@H](C)c2cccnc2)c1C ZINC000096494881 188189035 /nfs/dbraw/zinc/18/90/35/188189035.db2.gz YRABFCDFOZIVPI-JTQLQIEISA-N 0 0 230.315 2.849 50 0 BFAARN Fc1nccc(OC(F)F)c1Br ZINC000263622901 188192822 /nfs/dbraw/zinc/19/28/22/188192822.db2.gz BURKXFNSUOHQMV-UHFFFAOYSA-N 0 0 241.994 2.585 50 0 BFAARN FC=C(Br)Br ZINC000059272714 180921806 /nfs/dbraw/zinc/92/18/06/180921806.db2.gz ODGLWGRDIBCXGD-UHFFFAOYSA-N 0 0 203.836 2.545 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000012737363 353362984 /nfs/dbraw/zinc/36/29/84/353362984.db2.gz RAGSUDQNGGMNNM-SECBINFHSA-N 0 0 237.299 2.688 50 0 BFAARN c1coc(-c2ccnc(-c3ccncc3)n2)c1 ZINC000001399350 353369093 /nfs/dbraw/zinc/36/90/93/353369093.db2.gz HFFWPHNCOQVRCH-UHFFFAOYSA-N 0 0 223.235 2.799 50 0 BFAARN Cc1nn(C)c(=S)n1-c1ccc(Cl)cc1 ZINC000001402571 353386881 /nfs/dbraw/zinc/38/68/81/353386881.db2.gz SANIEXHOBJGXSL-UHFFFAOYSA-N 0 0 239.731 2.902 50 0 BFAARN COC(=O)CSc1ccc(Cl)cc1 ZINC000000396306 353418621 /nfs/dbraw/zinc/41/86/21/353418621.db2.gz LBSLGCXURMKUAO-UHFFFAOYSA-N 0 0 216.689 2.605 50 0 BFAARN CC(C)n1cncc1-c1ccc(C=O)cc1 ZINC000221650484 538116946 /nfs/dbraw/zinc/11/69/46/538116946.db2.gz GZWKZQZYMXZJKN-UHFFFAOYSA-N 0 0 214.268 2.944 50 0 BFAARN Cc1cc(C)nc(NC(=O)c2ccccc2)c1 ZINC000006070186 353407613 /nfs/dbraw/zinc/40/76/13/353407613.db2.gz NVKSBZOFCYGLHB-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN c1c(N2CCCCCC2)n[nH]c1-c1ccncc1 ZINC000085431023 538116757 /nfs/dbraw/zinc/11/67/57/538116757.db2.gz GZAYJXZXLYYXBC-UHFFFAOYSA-N 0 0 242.326 2.852 50 0 BFAARN Fc1ccc(-c2noc(-c3ccc[nH]3)n2)cc1 ZINC000045893779 180960220 /nfs/dbraw/zinc/96/02/20/180960220.db2.gz GTDVDJLIMDFUSL-UHFFFAOYSA-N 0 0 229.214 2.871 50 0 BFAARN Fc1ccc(CNc2nc(C3CC3)no2)cc1 ZINC000095960404 180970232 /nfs/dbraw/zinc/97/02/32/180970232.db2.gz SPXIQFBFHBHGNU-UHFFFAOYSA-N 0 0 233.246 2.698 50 0 BFAARN Fc1ccc(Cn2nc(Cl)nc2Cl)cc1 ZINC000006667852 180974293 /nfs/dbraw/zinc/97/42/93/180974293.db2.gz SPSDJCVQXUVUNT-UHFFFAOYSA-N 0 0 246.072 2.772 50 0 BFAARN Fc1ccc(I)c(F)c1 ZINC000000389789 180976655 /nfs/dbraw/zinc/97/66/55/180976655.db2.gz YKLDMAPEGQYZRT-UHFFFAOYSA-N 0 0 239.990 2.569 50 0 BFAARN Cc1cc(Br)nc(C(C)(C)C)n1 ZINC000095629708 353568698 /nfs/dbraw/zinc/56/86/98/353568698.db2.gz VGQLWDCIHFEGSI-UHFFFAOYSA-N 0 0 229.121 2.845 50 0 BFAARN COc1ccc(C)c(Br)c1 ZINC000032151943 188466279 /nfs/dbraw/zinc/46/62/79/188466279.db2.gz MGRYVEDNIGXKQE-UHFFFAOYSA-N 0 0 201.063 2.766 50 0 BFAARN CC(=O)n1nc(C)cc1-c1ccccc1 ZINC000000050308 188452204 /nfs/dbraw/zinc/45/22/04/188452204.db2.gz YMGYDFXWAWWFFU-UHFFFAOYSA-N 0 0 200.241 2.519 50 0 BFAARN CCOC(=O)c1ccccc1C(F)(F)F ZINC000000156326 188453654 /nfs/dbraw/zinc/45/36/54/188453654.db2.gz BQLMZZVRHPZRBQ-UHFFFAOYSA-N 0 0 218.174 2.882 50 0 BFAARN COc1ccccc1NC(=O)N1CCC[C@H](C)C1 ZINC000000400216 188453734 /nfs/dbraw/zinc/45/37/34/188453734.db2.gz JXKIPUVOLRVNQE-NSHDSACASA-N 0 0 248.326 2.959 50 0 BFAARN COc1ccc(C(=O)N(C)C)c2ccccc12 ZINC000040472879 188474872 /nfs/dbraw/zinc/47/48/72/188474872.db2.gz KJVFKTYVZBXUOE-UHFFFAOYSA-N 0 0 229.279 2.550 50 0 BFAARN Fc1ccc2ncoc2c1Br ZINC000095828974 180992866 /nfs/dbraw/zinc/99/28/66/180992866.db2.gz FHNAANRDWTYLRN-UHFFFAOYSA-N 0 0 216.009 2.729 50 0 BFAARN CC(C)(O)c1cccc(Br)c1 ZINC000034454338 188466512 /nfs/dbraw/zinc/46/65/12/188466512.db2.gz ZRFMJMFYMQAUDO-UHFFFAOYSA-N 0 0 215.090 2.677 50 0 BFAARN Fc1ccccc1CNCc1ccccn1 ZINC000000802050 181013211 /nfs/dbraw/zinc/01/32/11/181013211.db2.gz PXEUSIGXIJBZBD-UHFFFAOYSA-N 0 0 216.259 2.511 50 0 BFAARN Fc1ccccc1NCc1nccs1 ZINC000049814187 181014106 /nfs/dbraw/zinc/01/41/06/181014106.db2.gz JZRKMKWROPXNLR-UHFFFAOYSA-N 0 0 208.261 2.894 50 0 BFAARN Fc1ccccc1NC(=S)N1CCCC1 ZINC000000302295 181014205 /nfs/dbraw/zinc/01/42/05/181014205.db2.gz FZRVCQPHFMQUTN-UHFFFAOYSA-N 0 0 224.304 2.618 50 0 BFAARN Fc1ccccc1CCCNc1ncccn1 ZINC000091663582 181010065 /nfs/dbraw/zinc/01/00/65/181010065.db2.gz ZZVWYPYMFAEWPI-UHFFFAOYSA-N 0 0 231.274 2.660 50 0 BFAARN Fc1cnc(F)c(F)c1C(F)(F)F ZINC000002513198 181017492 /nfs/dbraw/zinc/01/74/92/181017492.db2.gz MLFFFTHLIOLZFO-UHFFFAOYSA-N 0 0 201.069 2.518 50 0 BFAARN C/C(=C\C(=O)NCc1cc(C)on1)C(C)(C)C ZINC000098056105 188502875 /nfs/dbraw/zinc/50/28/75/188502875.db2.gz NEZYTEBLGQCUQE-RMKNXTFCSA-N 0 0 236.315 2.592 50 0 BFAARN CC1=C[C@H](C)CN(C(=O)C2(CF)CCC2)C1 ZINC000335531656 535247981 /nfs/dbraw/zinc/24/79/81/535247981.db2.gz UBAVKDBOJWFFOY-JTQLQIEISA-N 0 0 225.307 2.551 50 0 BFAARN Fc1nc(Br)ccc1OC(F)F ZINC000263623972 181020797 /nfs/dbraw/zinc/02/07/97/181020797.db2.gz MGRRLENVVVXVPJ-UHFFFAOYSA-N 0 0 241.994 2.585 50 0 BFAARN CC(=O)N(C)C[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C ZINC000222237159 188537397 /nfs/dbraw/zinc/53/73/97/188537397.db2.gz COCCDELCQAVHHZ-GMXVVIOVSA-N 0 0 209.333 2.703 50 0 BFAARN CCN(CC)C(=O)N(C)c1ccccc1 ZINC000000400467 363292787 /nfs/dbraw/zinc/29/27/87/363292787.db2.gz SMHSXUILUNIYJZ-UHFFFAOYSA-N 0 0 206.289 2.585 50 0 BFAARN Cc1ccc(NC(=O)NC2CC2)c(C)c1 ZINC000000397736 363292956 /nfs/dbraw/zinc/29/29/56/363292956.db2.gz BDGIAHGKHDMJMI-UHFFFAOYSA-N 0 0 204.273 2.587 50 0 BFAARN N#CN(Cc1nccs1)c1ccc(F)cc1 ZINC000225643661 181052707 /nfs/dbraw/zinc/05/27/07/181052707.db2.gz RVYFLBALASKYAU-UHFFFAOYSA-N 0 0 233.271 2.770 50 0 BFAARN COc1nc(C(F)(F)F)ccc1Cl ZINC000238357422 188548203 /nfs/dbraw/zinc/54/82/03/188548203.db2.gz ICMSUMGQLYZWLM-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN FC1(F)CC(Cn2cc(Cl)cn2)C1 ZINC000334577966 354122514 /nfs/dbraw/zinc/12/25/14/354122514.db2.gz GCOQQUJYQXJYHX-UHFFFAOYSA-N 0 0 206.623 2.582 50 0 BFAARN Cc1cccc(NC(=O)N[C@H](C)C(C)(F)F)n1 ZINC000334695601 354487183 /nfs/dbraw/zinc/48/71/83/354487183.db2.gz FJEBAWSDTBGJDW-MRVPVSSYSA-N 0 0 243.257 2.555 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)c1ccoc1C ZINC000032747681 354543769 /nfs/dbraw/zinc/54/37/69/354543769.db2.gz LCDXABQPHZHMGB-LLVKDONJSA-N 0 0 221.300 2.993 50 0 BFAARN Cc1[nH]c2ccc(C(=O)NCC3CC3)cc2c1C ZINC000032909783 354596273 /nfs/dbraw/zinc/59/62/73/354596273.db2.gz UPHPBVOVFUQPNL-UHFFFAOYSA-N 0 0 242.322 2.925 50 0 BFAARN Cc1cc(C(=O)N[C@@H](C)C2CC2)sc1C ZINC000040473052 358491110 /nfs/dbraw/zinc/49/11/10/358491110.db2.gz VBMPMKDDPTZXQT-QMMMGPOBSA-N 0 0 223.341 2.893 50 0 BFAARN Cc1ccc(NC(=O)N2CCCC2)cc1F ZINC000040498715 358491934 /nfs/dbraw/zinc/49/19/34/358491934.db2.gz JUJDDHDHNPELMY-UHFFFAOYSA-N 0 0 222.263 2.762 50 0 BFAARN Cc1oc(-c2ccccc2)nc1Cn1ccnc1 ZINC000040488803 358492056 /nfs/dbraw/zinc/49/20/56/358492056.db2.gz OMZWFFADWUBNOV-UHFFFAOYSA-N 0 0 239.278 2.895 50 0 BFAARN CCCCC[C@@H]1[C@@H](O)CC[C@H]1CC(=O)OC ZINC000004025423 168742066 /nfs/dbraw/zinc/74/20/66/168742066.db2.gz DZWZEZICFCEJOT-SRVKXCTJSA-N 0 0 228.332 2.517 50 0 biogenic BFAARN Nc1ccc(C(F)(F)F)nc1-c1ccncc1 ZINC000047212446 355366809 /nfs/dbraw/zinc/36/68/09/355366809.db2.gz VVZHKSUBTQCLIU-UHFFFAOYSA-N 0 0 239.200 2.745 50 0 BFAARN Nc1nc(C(F)(F)F)ccc1-c1cccnc1 ZINC000047212436 355367172 /nfs/dbraw/zinc/36/71/72/355367172.db2.gz MEMLYBMXHXCSBI-UHFFFAOYSA-N 0 0 239.200 2.745 50 0 BFAARN Fc1cnc(OC(F)F)c(C(F)(F)F)c1 ZINC000047203386 355362763 /nfs/dbraw/zinc/36/27/63/355362763.db2.gz JTLQHOOMVNFGOD-UHFFFAOYSA-N 0 0 231.095 2.841 50 0 BFAARN O=C(Nc1c(F)cccc1F)C1=CCC1 ZINC000335778735 355405561 /nfs/dbraw/zinc/40/55/61/355405561.db2.gz RIEOZDCPFVTQMM-UHFFFAOYSA-N 0 0 209.195 2.624 50 0 BFAARN N=C(NC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000095394526 181198026 /nfs/dbraw/zinc/19/80/26/181198026.db2.gz YYYLSFOJVDCOJC-UHFFFAOYSA-N 0 0 242.253 2.581 50 0 BFAARN N=c1sccn1Cc1ccccc1Cl ZINC000003885457 181211896 /nfs/dbraw/zinc/21/18/96/181211896.db2.gz PDOXICPXNCFOEM-UHFFFAOYSA-N 0 0 224.716 2.731 50 0 BFAARN Cn1c2ccc(O)cc2c2c1CCCC2 ZINC000013652166 355856037 /nfs/dbraw/zinc/85/60/37/355856037.db2.gz JAPZQASHCWXUBG-UHFFFAOYSA-N 0 0 201.269 2.763 50 0 BFAARN CNC(=O)c1ccccc1CCc1ccccc1 ZINC000013688201 355877581 /nfs/dbraw/zinc/87/75/81/355877581.db2.gz WZOIRNSYSIKWAU-UHFFFAOYSA-N 0 0 239.318 2.831 50 0 BFAARN NC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000098013507 181215488 /nfs/dbraw/zinc/21/54/88/181215488.db2.gz MQXYWUCPPPWCPX-UHFFFAOYSA-N 0 0 243.228 2.612 50 0 BFAARN C[C@@H]1CC[C@H](C)N1C(=O)CCC(F)(F)F ZINC000336035169 134059541 /nfs/dbraw/zinc/05/95/41/134059541.db2.gz PDYFWLBWNPVSSQ-OCAPTIKFSA-N 0 0 223.238 2.728 50 0 BFAARN O=C1CCCc2nccc(-c3ccncc3)c21 ZINC000020534616 355943574 /nfs/dbraw/zinc/94/35/74/355943574.db2.gz WKISDKFDXVRYFR-UHFFFAOYSA-N 0 0 224.263 2.663 50 0 BFAARN CC(C)=CC(=O)N[C@@H](C)CCc1ccco1 ZINC000047741225 356164443 /nfs/dbraw/zinc/16/44/43/356164443.db2.gz XTYITKNPQLCKLR-NSHDSACASA-N 0 0 221.300 2.683 50 0 BFAARN CC(C)C(=O)Nc1nc2ccccc2s1 ZINC000000029808 356173592 /nfs/dbraw/zinc/17/35/92/356173592.db2.gz CKLZVSGUBDNFIW-UHFFFAOYSA-N 0 0 220.297 2.891 50 0 BFAARN Cc1csc(NC(=O)c2ccccc2F)n1 ZINC000002901268 356174925 /nfs/dbraw/zinc/17/49/25/356174925.db2.gz DUAZHICIWTUJIR-UHFFFAOYSA-N 0 0 236.271 2.843 50 0 BFAARN Nc1cccc(/C=C/C(=O)Nc2ccccc2)c1 ZINC000006045581 356367620 /nfs/dbraw/zinc/36/76/20/356367620.db2.gz AOTUZURGUQANRL-MDZDMXLPSA-N 0 0 238.290 2.921 50 0 BFAARN COC(=O)[C@@H](C)CSc1ccccc1 ZINC000000396236 356358157 /nfs/dbraw/zinc/35/81/57/356358157.db2.gz GLYXACFPCLUSBA-VIFPVBQESA-N 0 0 210.298 2.588 50 0 BFAARN CCc1nc(Cl)c(CC)nc1Cl ZINC000021987029 356369179 /nfs/dbraw/zinc/36/91/79/356369179.db2.gz ZJCPOWPCEMWZHJ-UHFFFAOYSA-N 0 0 205.088 2.908 50 0 BFAARN Cc1ccc(NC(=O)C(F)(F)F)cc1F ZINC000001751400 356365251 /nfs/dbraw/zinc/36/52/51/356365251.db2.gz GQXUEAJERWZEJR-UHFFFAOYSA-N 0 0 221.153 2.635 50 0 BFAARN Cc1ccc(N)c(NC(=O)OC(C)(C)C)c1 ZINC000002547912 356366725 /nfs/dbraw/zinc/36/67/25/356366725.db2.gz ITNKEMSWAOSDIT-UHFFFAOYSA-N 0 0 222.288 2.924 50 0 BFAARN O[C@@H]1C=C[C@]23C=CC=C[C@]2(CC=CC3)C1 ZINC000045071732 356372567 /nfs/dbraw/zinc/37/25/67/356372567.db2.gz QJHLWNOGCIAERA-MCIONIFRSA-N 0 0 200.281 2.756 50 0 BFAARN COCc1cccc(C(=O)NC2CCCCC2)c1 ZINC000012872735 356386501 /nfs/dbraw/zinc/38/65/01/356386501.db2.gz HJSLJIYMZMQDAN-UHFFFAOYSA-N 0 0 247.338 2.896 50 0 BFAARN Fc1ccc2c(c1)CC[C@H]2Nc1ncccn1 ZINC000049322335 356415341 /nfs/dbraw/zinc/41/53/41/356415341.db2.gz IDQRIUGRRWXESE-GFCCVEGCSA-N 0 0 229.258 2.715 50 0 BFAARN CC(C)(C)C(=O)Nc1ccc2c(c1)CCO2 ZINC000030371222 356424511 /nfs/dbraw/zinc/42/45/11/356424511.db2.gz YTFPCHNGEZXJNK-UHFFFAOYSA-N 0 0 219.284 2.606 50 0 BFAARN CC(C)CCC(=O)Nc1ccc(N(C)C)cn1 ZINC000049475656 356461224 /nfs/dbraw/zinc/46/12/24/356461224.db2.gz DFEONCKUFJNMPH-UHFFFAOYSA-N 0 0 235.331 2.522 50 0 BFAARN NN(Cc1cccc(F)c1)Cc1cccc(F)c1 ZINC000618255078 356469140 /nfs/dbraw/zinc/46/91/40/356469140.db2.gz MLBCFUZRXPFONS-UHFFFAOYSA-N 0 0 248.276 2.841 50 0 BFAARN NC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000000401170 181279712 /nfs/dbraw/zinc/27/97/12/181279712.db2.gz BDIDGNORHMTFLX-PCKAHOCUSA-N 0 0 249.313 2.769 50 0 BFAARN O=C(NN=C/C(Cl)=C\c1ccccc1)C1CC1 ZINC000003231949 356473525 /nfs/dbraw/zinc/47/35/25/356473525.db2.gz LJOAMNLYMHUSDQ-YKKGADOQSA-N 0 0 248.713 2.778 50 0 BFAARN CCO[C@@H]1C[C@@H]1C(=O)O[C@@H]1CCCC[C@H]1CC ZINC000252513905 363516547 /nfs/dbraw/zinc/51/65/47/363516547.db2.gz AREYDKSDKJMKAZ-YVECIDJPSA-N 0 0 240.343 2.923 50 0 BFAARN NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000000174683 181287522 /nfs/dbraw/zinc/28/75/22/181287522.db2.gz QEKLKGUQSVENJF-UHFFFAOYSA-N 0 0 238.246 2.594 50 0 BFAARN CC(C)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000084620709 538533777 /nfs/dbraw/zinc/53/37/77/538533777.db2.gz MVKDIULCOQXYFC-UHFFFAOYSA-N 0 0 236.706 2.741 50 0 BFAARN Cc1[nH]ccc1C(=O)N1CC[C@@H]2CCCC[C@H]21 ZINC000089536751 538581204 /nfs/dbraw/zinc/58/12/04/538581204.db2.gz BZXOJSJAJABOGG-WCQYABFASA-N 0 0 232.327 2.728 50 0 BFAARN Cc1nc(C)c(C(=O)N2CC[C@H]3CCCC[C@@H]32)o1 ZINC000089558052 538581444 /nfs/dbraw/zinc/58/14/44/538581444.db2.gz KSPWRNXBSYLLEN-NEPJUHHUSA-N 0 0 248.326 2.696 50 0 BFAARN Cc1[nH]ccc1C(=O)N1CC[C@H]2CCCC[C@H]21 ZINC000089536750 538581477 /nfs/dbraw/zinc/58/14/77/538581477.db2.gz BZXOJSJAJABOGG-DGCLKSJQSA-N 0 0 232.327 2.728 50 0 BFAARN O=C1N[C@@H]2CCCN2c2c3ccccc3sc21 ZINC000089872959 538584434 /nfs/dbraw/zinc/58/44/34/538584434.db2.gz CWFRVRTYSVMVLI-JTQLQIEISA-N 0 0 244.319 2.571 50 0 BFAARN O=C(C1CCCC1)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000089817985 538584701 /nfs/dbraw/zinc/58/47/01/538584701.db2.gz QZMUKQBDNHSLRM-CHWSQXEVSA-N 0 0 219.328 2.601 50 0 BFAARN CC(=O)N(C)[C@H](c1ccc(F)cc1)C1CC1 ZINC000095399678 538605366 /nfs/dbraw/zinc/60/53/66/538605366.db2.gz PRFYHEAVJXWUSS-ZDUSSCGKSA-N 0 0 221.275 2.755 50 0 BFAARN c1cc(-c2noc(C3=COCCC3)n2)cs1 ZINC000095394384 538605694 /nfs/dbraw/zinc/60/56/94/538605694.db2.gz ANALZFJOFNASHG-UHFFFAOYSA-N 0 0 234.280 2.949 50 0 BFAARN COC[C@H]1CCCN1C(=O)C1CCCCCC1 ZINC000095407226 538606941 /nfs/dbraw/zinc/60/69/41/538606941.db2.gz UEDHNWVKBXCPTF-CYBMUJFWSA-N 0 0 239.359 2.594 50 0 BFAARN Clc1cc(Cl)c2c(c1)NCCO2 ZINC000016083053 356747955 /nfs/dbraw/zinc/74/79/55/356747955.db2.gz PJOPBLNKTYANCM-UHFFFAOYSA-N 0 0 204.056 2.798 50 0 BFAARN CC[C@@H](C(=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096963676 538616295 /nfs/dbraw/zinc/61/62/95/538616295.db2.gz LEKMNFWFDOYZRS-ZIAGYGMSSA-N 0 0 247.338 2.619 50 0 BFAARN COCc1ccc(SCC(C)(C)O)cc1 ZINC000075092262 356815952 /nfs/dbraw/zinc/81/59/52/356815952.db2.gz JQNDTXPQASIXRY-UHFFFAOYSA-N 0 0 226.341 2.696 50 0 BFAARN CC1(OC(=O)c2ccc3c(c2)OCO3)CCC1 ZINC000075109484 356840880 /nfs/dbraw/zinc/84/08/80/356840880.db2.gz GXTXGKRGNJETQC-UHFFFAOYSA-N 0 0 234.251 2.515 50 0 BFAARN CS[C@H]1CCCC[C@H]1NC(=O)NC1CCC1 ZINC000098012735 538713302 /nfs/dbraw/zinc/71/33/02/538713302.db2.gz BFVWTHJVGQKKFP-MNOVXSKESA-N 0 0 242.388 2.512 50 0 BFAARN Cc1ccc(CNC(=O)c2ccoc2)cc1 ZINC000018186047 356975443 /nfs/dbraw/zinc/97/54/43/356975443.db2.gz IAFGZSYZEKCJIN-UHFFFAOYSA-N 0 0 215.252 2.518 50 0 BFAARN O=C(C1CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000012953346 538778914 /nfs/dbraw/zinc/77/89/14/538778914.db2.gz JEEWWSZOQQMYRG-ZYHUDNBSSA-N 0 0 207.317 2.578 50 0 BFAARN Clc1cc2ccccc2c2nncn21 ZINC000000398482 357153434 /nfs/dbraw/zinc/15/34/34/357153434.db2.gz NCLYSEYIOQYRSC-UHFFFAOYSA-N 0 0 203.632 2.536 50 0 BFAARN O=C1CCCc2c1ccn2-c1ccccc1 ZINC000001719362 357174541 /nfs/dbraw/zinc/17/45/41/357174541.db2.gz ITWRMHYPDWFLPT-UHFFFAOYSA-N 0 0 211.264 2.996 50 0 BFAARN O=C1CCCc2nc(Nc3ccccc3)ncc21 ZINC000035476285 357254214 /nfs/dbraw/zinc/25/42/14/357254214.db2.gz GPVKSROWFGDUKP-UHFFFAOYSA-N 0 0 239.278 2.739 50 0 BFAARN CCCC1N=NC(=S)N1CCc1ccccc1 ZINC000006400083 358009390 /nfs/dbraw/zinc/00/93/90/358009390.db2.gz LUHYWPNPSIAWCG-UHFFFAOYSA-N 0 0 247.367 2.762 50 0 BFAARN CCCc1nn2c([nH]1)c1ccccc1nc2=S ZINC000017957971 358017541 /nfs/dbraw/zinc/01/75/41/358017541.db2.gz PPXCEZVQOWJWCF-UHFFFAOYSA-N 0 0 244.323 2.519 50 0 BFAARN CC[C@@H](C)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000012985107 358032434 /nfs/dbraw/zinc/03/24/34/358032434.db2.gz MUPXEVXBZKWLPH-SECBINFHSA-N 0 0 249.310 2.766 50 0 BFAARN OCC1(CNc2ncccc2Cl)CCCC1 ZINC000168710794 134246616 /nfs/dbraw/zinc/24/66/16/134246616.db2.gz XJJBHIIJQQMPLO-UHFFFAOYSA-N 0 0 240.734 2.700 50 0 BFAARN Cc1cc(C(=O)NCCCn2cccc2)c(C)o1 ZINC000049028561 358062155 /nfs/dbraw/zinc/06/21/55/358062155.db2.gz FYZKKNHEOLAPSL-UHFFFAOYSA-N 0 0 246.310 2.518 50 0 BFAARN CCc1cnc(CCNc2ccccn2)s1 ZINC000078513409 358104404 /nfs/dbraw/zinc/10/44/04/358104404.db2.gz AXHBSCILVXWPPJ-UHFFFAOYSA-N 0 0 233.340 2.755 50 0 BFAARN Cc1cnc(NC(=O)CCC(C)C)s1 ZINC000013001288 358138966 /nfs/dbraw/zinc/13/89/66/358138966.db2.gz LEEJKQMFNCQZNX-UHFFFAOYSA-N 0 0 212.318 2.826 50 0 BFAARN NC(=O)c1ccc(COc2cccc(F)c2)cc1 ZINC000012943618 181295849 /nfs/dbraw/zinc/29/58/49/181295849.db2.gz FKAGUBUVTYQQQI-UHFFFAOYSA-N 0 0 245.253 2.504 50 0 BFAARN NC(=O)c1ccc(F)c(Oc2ccccc2)c1 ZINC000098087286 181297632 /nfs/dbraw/zinc/29/76/32/181297632.db2.gz GLHKJRYVFRAGNU-UHFFFAOYSA-N 0 0 231.226 2.717 50 0 BFAARN CCCCC[C@@H]1C(=O)CC[C@H]1CC(=O)OC ZINC000002077817 359635003 /nfs/dbraw/zinc/63/50/03/359635003.db2.gz KVWWIYGFBYDJQC-QWRGUYRKSA-N 0 0 226.316 2.725 50 0 biogenic,in-vitro BFAARN C[C@H]1CCCC[C@@H]1OCC(=O)N1CCCCC1 ZINC000089927777 360048473 /nfs/dbraw/zinc/04/84/73/360048473.db2.gz OLZBBEOFDPPCHI-STQMWFEESA-N 0 0 239.359 2.594 50 0 BFAARN CC[C@H]1CCCN(C(=O)[C@@H]2CCCS2)C1 ZINC000089948290 360048990 /nfs/dbraw/zinc/04/89/90/360048990.db2.gz JLMMBFMKXYIXQH-QWRGUYRKSA-N 0 0 227.373 2.531 50 0 BFAARN Cc1cccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000089688904 360034936 /nfs/dbraw/zinc/03/49/36/360034936.db2.gz BSURRNXSKZQMQS-BETUJISGSA-N 0 0 244.338 2.652 50 0 BFAARN CCCCC(=O)N1CCN(C)Cc2ccccc21 ZINC000089950114 360049961 /nfs/dbraw/zinc/04/99/61/360049961.db2.gz JEWJSNSVFCZZGT-UHFFFAOYSA-N 0 0 246.354 2.655 50 0 BFAARN CC(C)(C)C(=O)N[C@H]1CCc2ccccc21 ZINC000012886546 166533724 /nfs/dbraw/zinc/53/37/24/166533724.db2.gz ZPEJOGQZFKOPDL-LBPRGKRZSA-N 0 0 217.312 2.836 50 0 BFAARN C(=C\c1nc(C2CC2)no1)\c1ccco1 ZINC000096129586 360345203 /nfs/dbraw/zinc/34/52/03/360345203.db2.gz PDBMKXDOAMBPSJ-WAYWQWQTSA-N 0 0 202.213 2.710 50 0 BFAARN NC(=O)c1ccc(OCc2ccccc2F)cc1 ZINC000007509736 181301208 /nfs/dbraw/zinc/30/12/08/181301208.db2.gz ARHAVVDXPGTLBI-UHFFFAOYSA-N 0 0 245.253 2.504 50 0 BFAARN COC[C@H](O)CSCc1ccc(Cl)cc1 ZINC000004947872 360481295 /nfs/dbraw/zinc/48/12/95/360481295.db2.gz FEMPDDWTLZNMQF-NSHDSACASA-N 0 0 246.759 2.581 50 0 BFAARN CC(C)(C(N)=O)c1ccc(Cl)cc1Cl ZINC000036108810 360607108 /nfs/dbraw/zinc/60/71/08/360607108.db2.gz XORYITDRVMMYKN-UHFFFAOYSA-N 0 0 232.110 2.756 50 0 BFAARN NC(=O)c1cccnc1Nc1ccccc1Cl ZINC000000481286 181307379 /nfs/dbraw/zinc/30/73/79/181307379.db2.gz ZKRKZJWVTGZJPI-UHFFFAOYSA-N 0 0 247.685 2.578 50 0 BFAARN CCOC(=O)c1cc(Cl)c(OC)cc1F ZINC000238256597 360762743 /nfs/dbraw/zinc/76/27/43/360762743.db2.gz CJLSWPHKKCROSJ-UHFFFAOYSA-N 0 0 232.638 2.664 50 0 BFAARN C/C=C/CC(=O)N(C)[C@@H](C)Cc1cc(C)ccn1 ZINC000055052619 200657776 /nfs/dbraw/zinc/65/77/76/200657776.db2.gz WZBZWYVJUMVZDO-GFUIURDCSA-N 0 0 246.354 2.746 50 0 BFAARN NC(=O)c1sccc1-c1ccccc1 ZINC000036379460 181315682 /nfs/dbraw/zinc/31/56/82/181315682.db2.gz SFIDPJRHRJFVLK-UHFFFAOYSA-N 0 0 203.266 2.514 50 0 BFAARN CSc1ncc(Nc2nc(C)cs2)cn1 ZINC000006810048 360886450 /nfs/dbraw/zinc/88/64/50/360886450.db2.gz APNCLAQJKYOPSW-UHFFFAOYSA-N 0 0 238.341 2.707 50 0 BFAARN NC(=S)Cc1cccc(C(F)(F)F)c1 ZINC000012336328 181317230 /nfs/dbraw/zinc/31/72/30/181317230.db2.gz OPIOQYUGUBOMCP-UHFFFAOYSA-N 0 0 219.231 2.534 50 0 BFAARN NC(=S)COc1cc(Cl)cc(Cl)c1 ZINC000000119908 181316463 /nfs/dbraw/zinc/31/64/63/181316463.db2.gz GXSDTIDTCPOGAD-UHFFFAOYSA-N 0 0 236.123 2.658 50 0 BFAARN COc1ccnc(C(F)(F)F)c1Cl ZINC000238382443 360987708 /nfs/dbraw/zinc/98/77/08/360987708.db2.gz HLDPQYIPWXPXED-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN CCc1ccc(C(=O)Nc2ccccc2O)o1 ZINC000036394822 361080389 /nfs/dbraw/zinc/08/03/89/361080389.db2.gz VYPOVPXGCNKFOY-UHFFFAOYSA-N 0 0 231.251 2.800 50 0 BFAARN CCc1ccc(C(=O)N[C@H](C)C(C)C)o1 ZINC000036395990 361081559 /nfs/dbraw/zinc/08/15/59/361081559.db2.gz XXJORUJHLMBLSX-SECBINFHSA-N 0 0 209.289 2.616 50 0 BFAARN Cc1nc(-c2cccc(OC(C)C)c2)nn1C ZINC000426371990 200982692 /nfs/dbraw/zinc/98/26/92/200982692.db2.gz HOHUWBPFJQTPNI-UHFFFAOYSA-N 0 0 231.299 2.578 50 0 BFAARN CCc1nc(-c2c[nH]c3ccc(C)cc23)nn1C ZINC000426444640 200986652 /nfs/dbraw/zinc/98/66/52/200986652.db2.gz QFARJVHYPVNRHY-UHFFFAOYSA-N 0 0 240.310 2.834 50 0 BFAARN Cn1cnc(-c2cc(F)cc3cccnc32)c1 ZINC000426503416 200991499 /nfs/dbraw/zinc/99/14/99/200991499.db2.gz DYBFTVZDFUQGCZ-UHFFFAOYSA-N 0 0 227.242 2.774 50 0 BFAARN COc1ccc(-c2nc(C)ncc2C(C)C)cn1 ZINC000426734014 200997705 /nfs/dbraw/zinc/99/77/05/200997705.db2.gz MQVMUQWUAWKQNZ-UHFFFAOYSA-N 0 0 243.310 2.979 50 0 BFAARN CC[C@@H](C)C(=O)NCc1nc2ccccc2s1 ZINC000036656977 361375124 /nfs/dbraw/zinc/37/51/24/361375124.db2.gz LNRWHXUBLJPBMC-SECBINFHSA-N 0 0 248.351 2.959 50 0 BFAARN O=C(c1ccncc1F)N1CCC(=C2CC2)CC1 ZINC000238915155 361459417 /nfs/dbraw/zinc/45/94/17/361459417.db2.gz SLYMVDZVIIEVOP-UHFFFAOYSA-N 0 0 246.285 2.547 50 0 BFAARN COc1ccccc1CNC(=O)[C@H]1CC=CCC1 ZINC000007306059 361581941 /nfs/dbraw/zinc/58/19/41/361581941.db2.gz QRTNFUNHSMHCHY-LBPRGKRZSA-N 0 0 245.322 2.668 50 0 BFAARN C[C@H](Nc1ncnc2ccccc21)[C@H]1CCCO1 ZINC000037493049 364079667 /nfs/dbraw/zinc/07/96/67/364079667.db2.gz QORNVGIUSDIGEH-GXFFZTMASA-N 0 0 243.310 2.609 50 0 BFAARN C[C@@H](Nc1ccn(C)n1)c1cc(F)ccc1F ZINC000037560939 364192295 /nfs/dbraw/zinc/19/22/95/364192295.db2.gz HWZLKHJGJMXEGE-MRVPVSSYSA-N 0 0 237.253 2.871 50 0 BFAARN O=Cc1cccc(-c2noc(C3CCC3)n2)c1 ZINC000725273549 541341087 /nfs/dbraw/zinc/34/10/87/541341087.db2.gz KJVXNMMVBDMKSK-UHFFFAOYSA-N 0 0 228.251 2.817 50 0 BFAARN COCSc1nc2cc(C)ccc2o1 ZINC000079072839 541351146 /nfs/dbraw/zinc/35/11/46/541351146.db2.gz GAMRGWMSSAUTPH-UHFFFAOYSA-N 0 0 209.270 2.832 50 0 BFAARN C[Si](C)(C)c1ccccc1[Si](C)(C)C ZINC000169818098 541362831 /nfs/dbraw/zinc/36/28/31/541362831.db2.gz YHMJZIJXVNRXIN-UHFFFAOYSA-N 0 0 222.480 2.777 50 0 BFAARN CCCCC(=O)NC(=O)N[C@@H](C)c1ccccc1 ZINC000002224554 364517877 /nfs/dbraw/zinc/51/78/77/364517877.db2.gz LHMDLHSWMVYZJG-NSHDSACASA-N 0 0 248.326 2.764 50 0 BFAARN O=C(NCc1ccco1)[C@@H]1[C@@H]2C=CCCCC[C@@H]21 ZINC000252644145 364723599 /nfs/dbraw/zinc/72/35/99/364723599.db2.gz ZZYJXLSLHDDCAV-HZSPNIEDSA-N 0 0 245.322 2.888 50 0 BFAARN CCCNC(=O)[C@@H]1Cc2ccc(C)cc2S1 ZINC000012893161 541486701 /nfs/dbraw/zinc/48/67/01/541486701.db2.gz ZCIYGZNJXKWCDY-LBPRGKRZSA-N 0 0 235.352 2.538 50 0 BFAARN Cc1ccc(C(=O)N(C)Cc2ccsc2)n1C ZINC000032836859 541502186 /nfs/dbraw/zinc/50/21/86/541502186.db2.gz UHPMLRFIZVROKM-UHFFFAOYSA-N 0 0 248.351 2.667 50 0 BFAARN CC[C@H](C(=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000196972745 541514639 /nfs/dbraw/zinc/51/46/39/541514639.db2.gz FGXZNHOTGVPVGM-JTQLQIEISA-N 0 0 227.348 2.654 50 0 BFAARN C/C(=C/c1cnn(C(C)C)c1)c1cnccn1 ZINC000195568098 367369918 /nfs/dbraw/zinc/36/99/18/367369918.db2.gz GJTFKYTXEMTTTA-WDZFZDKYSA-N 0 0 228.299 2.815 50 0 BFAARN CSC(=N)NN=Cc1ccc(Cl)cc1 ZINC000002028428 368369278 /nfs/dbraw/zinc/36/92/78/368369278.db2.gz KHROHJUJMJZLDF-UHFFFAOYSA-N 0 0 227.720 2.561 50 0 BFAARN COC(=O)/C(C)=C/C#CC1CCCCC1 ZINC000019865571 368371485 /nfs/dbraw/zinc/37/14/85/368371485.db2.gz QJKYBMZQLJHOCX-YRNVUSSQSA-N 0 0 206.285 2.689 50 0 BFAARN COC(=O)c1cccc2c1OC(C)(C)CC2 ZINC000114362796 368386955 /nfs/dbraw/zinc/38/69/55/368386955.db2.gz YWZWQQRLUNITNE-UHFFFAOYSA-N 0 0 220.268 2.577 50 0 BFAARN O=C1CC[C@H](c2ccc(C(F)(F)F)cc2)CN1 ZINC000211138797 368399798 /nfs/dbraw/zinc/39/97/98/368399798.db2.gz LGEVYJYGEQLUMF-VIFPVBQESA-N 0 0 243.228 2.699 50 0 BFAARN CCSC[C@@H](C)[NH2+]Cc1cc(C2CC2)n[nH]1 ZINC000584889802 369037515 /nfs/dbraw/zinc/03/75/15/369037515.db2.gz AGOVBKVXABLDTC-SECBINFHSA-N 0 0 239.388 2.518 50 0 BFAARN Cc1nn(Cc2ccccc2)c(C)c1[C@@H](C)O ZINC000054723091 369091304 /nfs/dbraw/zinc/09/13/04/369091304.db2.gz OBMXQGGNQXIKRH-GFCCVEGCSA-N 0 0 230.311 2.602 50 0 BFAARN CCC1(CNC(=O)[C@]2(C)CCCCO2)CCC1 ZINC000457622126 203081665 /nfs/dbraw/zinc/08/16/65/203081665.db2.gz DQOAHQLIMGXALP-ZDUSSCGKSA-N 0 0 239.359 2.642 50 0 BFAARN CCn1ncc(C)c1NC(=O)[C@H]1CC=CCC1 ZINC000618444007 369147656 /nfs/dbraw/zinc/14/76/56/369147656.db2.gz WLCMFKUSSVKUGO-NSHDSACASA-N 0 0 233.315 2.506 50 0 BFAARN O=C(Nc1ccccc1)c1cc(Cl)c[nH]1 ZINC000009337723 370453497 /nfs/dbraw/zinc/45/34/97/370453497.db2.gz GNPGODCUXJBCEF-UHFFFAOYSA-N 0 0 220.659 2.920 50 0 BFAARN NN(C(=S)Nc1ccccc1)c1ccccc1 ZINC000002572232 181509248 /nfs/dbraw/zinc/50/92/48/181509248.db2.gz AIONMUKAPQSLHW-UHFFFAOYSA-N 0 0 243.335 2.764 50 0 BFAARN Cc1nn(C2CCCCC2)c2[nH]c(=O)cc(C)c12 ZINC000013113788 371008640 /nfs/dbraw/zinc/00/86/40/371008640.db2.gz OFKWMESPTPUKLE-UHFFFAOYSA-N 0 0 245.326 2.847 50 0 BFAARN NNc1ccc(SC(F)(F)F)cc1 ZINC000021298186 181518696 /nfs/dbraw/zinc/51/86/96/181518696.db2.gz HSKMWRFWZVOVOU-UHFFFAOYSA-N 0 0 208.208 2.584 50 0 BFAARN C[C@@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccccn1 ZINC000079213015 371185996 /nfs/dbraw/zinc/18/59/96/371185996.db2.gz HBTQPSFSJDWGOJ-MNOVXSKESA-N 0 0 247.342 2.583 50 0 BFAARN CCSCCOc1c(F)cccc1OC ZINC000155100438 371194052 /nfs/dbraw/zinc/19/40/52/371194052.db2.gz NPKTZOGVCNVSKX-UHFFFAOYSA-N 0 0 230.304 2.966 50 0 BFAARN Fc1ccc(F)c(OCc2ccccn2)c1 ZINC000079021264 371174352 /nfs/dbraw/zinc/17/43/52/371174352.db2.gz VUPLIPJSXNVUDJ-UHFFFAOYSA-N 0 0 221.206 2.939 50 0 BFAARN N[C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC000038540721 181564453 /nfs/dbraw/zinc/56/44/53/181564453.db2.gz VWKRJAXYSCHDKI-ZETCQYMHSA-N 0 0 209.598 2.902 50 0 BFAARN C[C@H](CNc1ccnn1C)c1ccccc1 ZINC000020351641 371269464 /nfs/dbraw/zinc/26/94/64/371269464.db2.gz HDVGWIAGFIEOHR-LLVKDONJSA-N 0 0 215.300 2.636 50 0 BFAARN O=C(CCn1cccn1)Nc1ccc(Cl)cc1 ZINC000020602893 371304541 /nfs/dbraw/zinc/30/45/41/371304541.db2.gz JOZUWTSBOJJOOJ-UHFFFAOYSA-N 0 0 249.701 2.565 50 0 BFAARN Nc1c(O)cc(C(F)(F)F)cc1Cl ZINC000098086098 181671102 /nfs/dbraw/zinc/67/11/02/181671102.db2.gz QAYYMTPVSQHMCJ-UHFFFAOYSA-N 0 0 211.570 2.647 50 0 BFAARN C[C@H](CC(=O)Nc1ccccc1F)n1cccn1 ZINC000020990764 371355963 /nfs/dbraw/zinc/35/59/63/371355963.db2.gz VDHULPZDGJNPLB-SNVBAGLBSA-N 0 0 247.273 2.612 50 0 BFAARN C[C@H](CC(=O)Nc1cccc(F)c1)n1cccn1 ZINC000020990770 371356603 /nfs/dbraw/zinc/35/66/03/371356603.db2.gz DZIPZZLXQSDRLC-SNVBAGLBSA-N 0 0 247.273 2.612 50 0 BFAARN Nc1cc(-c2ccco2)nn1-c1ccccc1 ZINC000015442841 181675417 /nfs/dbraw/zinc/67/54/17/181675417.db2.gz QLWCNJZKCFQJKN-UHFFFAOYSA-N 0 0 225.251 2.715 50 0 BFAARN CCN(CC)Cn1nc(SC)sc1=S ZINC000020828714 371337646 /nfs/dbraw/zinc/33/76/46/371337646.db2.gz QWRLRPSBQVYPMM-UHFFFAOYSA-N 0 0 249.430 2.695 50 0 BFAARN Nc1c2ccccc2oc1C(=O)C1CC1 ZINC000000050025 181665542 /nfs/dbraw/zinc/66/55/42/181665542.db2.gz AVXFPCCGHRUJFG-UHFFFAOYSA-N 0 0 201.225 2.608 50 0 BFAARN Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000013556356 181696707 /nfs/dbraw/zinc/69/67/07/181696707.db2.gz AEALBFAUDNCOAC-UHFFFAOYSA-N 0 0 236.278 2.721 50 0 BFAARN Nc1ccc(C(F)(F)F)c2ncccc12 ZINC000034061887 181703149 /nfs/dbraw/zinc/70/31/49/181703149.db2.gz MFLUPLVEVVDFOD-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000004298856 181708126 /nfs/dbraw/zinc/70/81/26/181708126.db2.gz QFQCBVHVQWVUSQ-UHFFFAOYSA-N 0 0 223.659 2.675 50 0 BFAARN CN(C)N(C)c1ccc(Cl)c(Cl)c1 ZINC000096026693 371378719 /nfs/dbraw/zinc/37/87/19/371378719.db2.gz YSSVDIQJMDRBMC-UHFFFAOYSA-N 0 0 219.115 2.906 50 0 BFAARN Nc1cccc(C(=O)Nc2ccccc2F)c1 ZINC000011737152 181742240 /nfs/dbraw/zinc/74/22/40/181742240.db2.gz RVGBAASORPVMFP-UHFFFAOYSA-N 0 0 230.242 2.660 50 0 BFAARN Nc1ccc(OCc2ccccc2)cc1F ZINC000043472224 181722578 /nfs/dbraw/zinc/72/25/78/181722578.db2.gz SDMVHDKRUHLVKO-UHFFFAOYSA-N 0 0 217.243 2.987 50 0 BFAARN Nc1ccc(OCc2ccco2)c(F)c1 ZINC000014630620 181722874 /nfs/dbraw/zinc/72/28/74/181722874.db2.gz SUJYRSFKPHTQBH-UHFFFAOYSA-N 0 0 207.204 2.580 50 0 BFAARN Nc1ccccc1Cc1nc(-c2ccco2)no1 ZINC000054445276 181754700 /nfs/dbraw/zinc/75/47/00/181754700.db2.gz NWICHUODPNECHN-UHFFFAOYSA-N 0 0 241.250 2.503 50 0 BFAARN Nc1ccccc1COCc1ccccc1N ZINC000038342126 181755066 /nfs/dbraw/zinc/75/50/66/181755066.db2.gz SZJBQSXXLJETCD-UHFFFAOYSA-N 0 0 228.295 2.568 50 0 BFAARN Nc1ccccc1NC(=O)c1c(F)cccc1F ZINC000000138349 181756408 /nfs/dbraw/zinc/75/64/08/181756408.db2.gz GWJNCYPFPAETBX-UHFFFAOYSA-N 0 0 248.232 2.799 50 0 BFAARN Nc1nnc(/C=C\c2ccccc2Cl)s1 ZINC000033373469 181813563 /nfs/dbraw/zinc/81/35/63/181813563.db2.gz YPGMOJZDPBVHJE-WAYWQWQTSA-N 0 0 237.715 2.944 50 0 BFAARN CCCCS(=O)(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000057526585 371858646 /nfs/dbraw/zinc/85/86/46/371858646.db2.gz YKMHRJYVUGTDFJ-GRYCIOLGSA-N 0 0 247.404 2.531 50 0 BFAARN Nc1nc2ccccc2nc1-c1ccccc1 ZINC000003133978 371885902 /nfs/dbraw/zinc/88/59/02/371885902.db2.gz ABTZHDQWMUXIFW-UHFFFAOYSA-N 0 0 221.263 2.879 50 0 BFAARN O=C(/C=C/c1ccc(F)cc1)NC1CCCC1 ZINC000000450248 181836818 /nfs/dbraw/zinc/83/68/18/181836818.db2.gz BPUJJHXCXXVJAF-JXMROGBWSA-N 0 0 233.286 2.898 50 0 BFAARN C[C@H](O)c1cn(-c2ccc(C(C)(C)C)cc2)nn1 ZINC000163364042 371983299 /nfs/dbraw/zinc/98/32/99/371983299.db2.gz AEFIJKCFONOOJZ-JTQLQIEISA-N 0 0 245.326 2.618 50 0 BFAARN O=C(/C=C/c1cccs1)Nc1cccnc1 ZINC000000449849 181845573 /nfs/dbraw/zinc/84/55/73/181845573.db2.gz CFWANZBETGRJIN-AATRIKPKSA-N 0 0 230.292 2.795 50 0 BFAARN CC(C)(C)CC(=O)Nc1ccc2c(c1)CCO2 ZINC000031343567 372050906 /nfs/dbraw/zinc/05/09/06/372050906.db2.gz JLPVEBXPDFDCHE-UHFFFAOYSA-N 0 0 233.311 2.996 50 0 BFAARN CCN(CC)C(=O)[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000008041495 372288118 /nfs/dbraw/zinc/28/81/18/372288118.db2.gz HYSNVZWHTNVPNT-CYBMUJFWSA-N 0 0 249.354 2.939 50 0 BFAARN Cc1ccsc1C(=O)NCCc1ccco1 ZINC000008276567 372533109 /nfs/dbraw/zinc/53/31/09/372533109.db2.gz KIKUMXNORRHASH-UHFFFAOYSA-N 0 0 235.308 2.622 50 0 BFAARN O=C(CCc1ccsc1)NC1CCCC1 ZINC000032722019 181937618 /nfs/dbraw/zinc/93/76/18/181937618.db2.gz NXINVXKIOPYUKB-UHFFFAOYSA-N 0 0 223.341 2.740 50 0 BFAARN Cc1cc(C)cc(O[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000008558649 372760915 /nfs/dbraw/zinc/76/09/15/372760915.db2.gz HUUURKADICHXCJ-LBPRGKRZSA-N 0 0 249.354 2.985 50 0 BFAARN COc1ccc(-c2n[nH]c(C(C)(C)C)n2)cc1F ZINC000426423137 372857051 /nfs/dbraw/zinc/85/70/51/372857051.db2.gz VRIKLYFPBCGHTF-UHFFFAOYSA-N 0 0 249.289 2.917 50 0 BFAARN O=C(COc1ccccc1)c1ccccc1 ZINC000000402073 182003014 /nfs/dbraw/zinc/00/30/14/182003014.db2.gz KRSXGTAVHIDVPM-UHFFFAOYSA-N 0 0 212.248 2.948 50 0 in-vitro BFAARN O=C(CSC1CCCCC1)N1CCCC1 ZINC000003287080 182007232 /nfs/dbraw/zinc/00/72/32/182007232.db2.gz GUHBHAACNCYWDH-UHFFFAOYSA-N 0 0 227.373 2.675 50 0 BFAARN O=C(CSC1CCCC1)N1CCCCC1 ZINC000041365260 182008288 /nfs/dbraw/zinc/00/82/88/182008288.db2.gz MEMODPKBKHPBKE-UHFFFAOYSA-N 0 0 227.373 2.675 50 0 BFAARN O=C(CSc1ccccc1)Nc1ccncc1 ZINC000000319235 182009879 /nfs/dbraw/zinc/00/98/79/182009879.db2.gz TVFYMBNKTIXCGE-UHFFFAOYSA-N 0 0 244.319 2.812 50 0 BFAARN O=C(C[C@@H]1C=CCC1)NC1CCCCC1 ZINC000032747695 182013903 /nfs/dbraw/zinc/01/39/03/182013903.db2.gz OCPOQHORHNZXEZ-LLVKDONJSA-N 0 0 207.317 2.792 50 0 BFAARN O=C(C[C@H]1C=CCC1)NCCc1cccc(F)c1 ZINC000036392856 182024844 /nfs/dbraw/zinc/02/48/44/182024844.db2.gz NBTLIIJKDQLLMA-LBPRGKRZSA-N 0 0 247.313 2.841 50 0 BFAARN O=C(Cc1ccccc1)NCc1ccccc1F ZINC000006260718 182044451 /nfs/dbraw/zinc/04/44/51/182044451.db2.gz KKMHQFBNKKGALH-UHFFFAOYSA-N 0 0 243.281 2.685 50 0 BFAARN O=C(Cc1ccccc1Cl)Nc1cccnc1 ZINC000005898595 182045338 /nfs/dbraw/zinc/04/53/38/182045338.db2.gz LZXAQBMRNVMKJW-UHFFFAOYSA-N 0 0 246.697 2.916 50 0 BFAARN O=C(Cc1cccs1)Nc1ccccc1O ZINC000000365255 182053160 /nfs/dbraw/zinc/05/31/60/182053160.db2.gz FNZZOBZCWAWYTP-UHFFFAOYSA-N 0 0 233.292 2.635 50 0 BFAARN Clc1ccccc1Oc1ncccn1 ZINC000039929708 373060855 /nfs/dbraw/zinc/06/08/55/373060855.db2.gz TXZIOXBOHVTFQG-UHFFFAOYSA-N 0 0 206.632 2.922 50 0 BFAARN Cc1ncn(Cc2ncc(C(C)(C)C)o2)c1C ZINC000069420049 373272508 /nfs/dbraw/zinc/27/25/08/373272508.db2.gz TXMKVERINAVEST-UHFFFAOYSA-N 0 0 233.315 2.834 50 0 BFAARN O=C(NC1(c2ccccc2)CCC1)C1CCC1 ZINC000032843448 182091703 /nfs/dbraw/zinc/09/17/03/182091703.db2.gz UNGXZDSJCWLOEB-UHFFFAOYSA-N 0 0 229.323 2.982 50 0 BFAARN O=C(NC1CC1)c1cc(F)c(F)cc1Cl ZINC000000395919 182100663 /nfs/dbraw/zinc/10/06/63/182100663.db2.gz QTYHHEBWFYAYSY-UHFFFAOYSA-N 0 0 231.629 2.510 50 0 BFAARN O=C(NC1CC1)c1ccnc(-c2cccs2)c1 ZINC000065063072 182100899 /nfs/dbraw/zinc/10/08/99/182100899.db2.gz IZOIEDWNZHERMF-UHFFFAOYSA-N 0 0 244.319 2.702 50 0 BFAARN O=C(NC1CC1)c1ccccc1C(F)(F)F ZINC000016651129 182100986 /nfs/dbraw/zinc/10/09/86/182100986.db2.gz QEJAFRWYMVYFDM-UHFFFAOYSA-N 0 0 229.201 2.598 50 0 BFAARN O=C(NC1CC1)c1cccc(Cl)c1Cl ZINC000008130787 182101213 /nfs/dbraw/zinc/10/12/13/182101213.db2.gz RZPOEUNYNZFFLF-UHFFFAOYSA-N 0 0 230.094 2.886 50 0 BFAARN Cc1ccc(NC(=O)COCC(F)(F)F)cc1 ZINC000040481117 373305919 /nfs/dbraw/zinc/30/59/19/373305919.db2.gz DVHQBYLTPWCVKN-UHFFFAOYSA-N 0 0 247.216 2.512 50 0 BFAARN CCCC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000040489738 373315834 /nfs/dbraw/zinc/31/58/34/373315834.db2.gz OVBYRHMYOGWAKO-ZDUSSCGKSA-N 0 0 217.312 2.932 50 0 BFAARN O=C(NC1CC1)c1cc(-c2ccccc2)ns1 ZINC000064543104 182100165 /nfs/dbraw/zinc/10/01/65/182100165.db2.gz YTXBKGRUXHXREV-UHFFFAOYSA-N 0 0 244.319 2.702 50 0 BFAARN O=C(NC1CCCCC1)c1cc(O)ccc1F ZINC000261493457 182112279 /nfs/dbraw/zinc/11/22/79/182112279.db2.gz BKYCRJUFRCLSIY-UHFFFAOYSA-N 0 0 237.274 2.594 50 0 BFAARN O=C(NC1CCCCC1)c1cccs1 ZINC000000409475 182114037 /nfs/dbraw/zinc/11/40/37/182114037.db2.gz HFWTZGQRJHFPRF-UHFFFAOYSA-N 0 0 209.314 2.811 50 0 BFAARN Cc1ccsc1CNC(=O)Nc1cccnc1 ZINC000040501890 373360979 /nfs/dbraw/zinc/36/09/79/373360979.db2.gz POUWTZXSWSGFKY-UHFFFAOYSA-N 0 0 247.323 2.773 50 0 BFAARN O=C(NC1CCCC1)N1CCCCCC1 ZINC000013328234 182108698 /nfs/dbraw/zinc/10/86/98/182108698.db2.gz NHJKVCHVKLNPAE-UHFFFAOYSA-N 0 0 210.321 2.515 50 0 BFAARN O=C(NC1CCCCC1)N1CCCCC1 ZINC000000395224 182110994 /nfs/dbraw/zinc/11/09/94/182110994.db2.gz FVBADNVFGOKMIY-UHFFFAOYSA-N 0 0 210.321 2.515 50 0 BFAARN CCc1ccc(C(=O)NC(C)(C)CC)o1 ZINC000040510980 373408014 /nfs/dbraw/zinc/40/80/14/373408014.db2.gz ZCMHUQKFTWKTCH-UHFFFAOYSA-N 0 0 209.289 2.760 50 0 BFAARN CC(C)[C@H](NC(=O)c1ccn[nH]1)c1cccs1 ZINC000040513597 373413321 /nfs/dbraw/zinc/41/33/21/373413321.db2.gz IIRDVOUWECWMNN-NSHDSACASA-N 0 0 249.339 2.598 50 0 BFAARN COCc1ccccc1NC(=O)NCC(C)C ZINC000040527943 373455690 /nfs/dbraw/zinc/45/56/90/373455690.db2.gz XHSDOEMTOCPFSA-UHFFFAOYSA-N 0 0 236.315 2.611 50 0 BFAARN COc1ccc(C(=O)CNc2ccccc2)cc1 ZINC000009261859 373731908 /nfs/dbraw/zinc/73/19/08/373731908.db2.gz QAJUPCVQRTXTRF-UHFFFAOYSA-N 0 0 241.290 2.990 50 0 BFAARN O=C(NCCSCc1ccsc1)C1CC1 ZINC000036392336 182198218 /nfs/dbraw/zinc/19/82/18/182198218.db2.gz ROVXWXDLHDNMCF-UHFFFAOYSA-N 0 0 241.381 2.508 50 0 BFAARN O=C(NCCc1ccc(F)cc1)C1CCCC1 ZINC000013327869 182202218 /nfs/dbraw/zinc/20/22/18/182202218.db2.gz XPOCAAPTFIVUCO-UHFFFAOYSA-N 0 0 235.302 2.675 50 0 BFAARN O=C(NCCc1cccc(Cl)c1)c1ccco1 ZINC000002757027 182202898 /nfs/dbraw/zinc/20/28/98/182202898.db2.gz ISMJDFGLGBHATH-UHFFFAOYSA-N 0 0 249.697 2.906 50 0 BFAARN O=C(NCCc1cccc(F)c1)[C@@H]1CC=CCC1 ZINC000032745067 182203155 /nfs/dbraw/zinc/20/31/55/182203155.db2.gz LDEQCCOLIYLVQK-CYBMUJFWSA-N 0 0 247.313 2.841 50 0 BFAARN CCCCNC(=O)Nc1cc(C(C)(C)C)on1 ZINC000028225440 168852714 /nfs/dbraw/zinc/85/27/14/168852714.db2.gz QEKWWEQSZRZFMR-UHFFFAOYSA-N 0 0 239.319 2.894 50 0 BFAARN O=C(NCCc1ccccc1)c1ccccc1 ZINC000001747104 182204270 /nfs/dbraw/zinc/20/42/70/182204270.db2.gz DAVRGGJTJDTVQT-UHFFFAOYSA-N 0 0 225.291 2.659 50 0 biogenic,in-vitro BFAARN O=C(NCCc1ccccc1)C1CCCC1 ZINC000000373836 182204570 /nfs/dbraw/zinc/20/45/70/182204570.db2.gz HLGZKZCTVFJIFI-UHFFFAOYSA-N 0 0 217.312 2.536 50 0 BFAARN O=C(NCCc1ccccc1F)[C@H]1CC=CCC1 ZINC000032676242 182205106 /nfs/dbraw/zinc/20/51/06/182205106.db2.gz KNNBRCSZICAAGB-ZDUSSCGKSA-N 0 0 247.313 2.841 50 0 BFAARN O=C(NCCc1cccs1)c1cccs1 ZINC000000100686 182209024 /nfs/dbraw/zinc/20/90/24/182209024.db2.gz BDCPXEJHDFNOPA-UHFFFAOYSA-N 0 0 237.349 2.782 50 0 BFAARN O=C(NCCc1ccoc1)c1ccccc1Cl ZINC000090607375 182209317 /nfs/dbraw/zinc/20/93/17/182209317.db2.gz UAZSTNHQMGGMBO-UHFFFAOYSA-N 0 0 249.697 2.906 50 0 BFAARN O=C(NCCc1ccsc1)C1CCCC1 ZINC000013698210 182209792 /nfs/dbraw/zinc/20/97/92/182209792.db2.gz KSWDUFHOMJWOEA-UHFFFAOYSA-N 0 0 223.341 2.597 50 0 BFAARN O=C(NCCc1ccsc1)[C@@H]1CC=CCC1 ZINC000036392611 182209984 /nfs/dbraw/zinc/20/99/84/182209984.db2.gz UNVMOIRSQRBTFP-GFCCVEGCSA-N 0 0 235.352 2.763 50 0 BFAARN CCCC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000041421362 374139631 /nfs/dbraw/zinc/13/96/31/374139631.db2.gz GKLSZOUTWOXCQU-GXTWGEPZSA-N 0 0 247.338 2.775 50 0 BFAARN CC[C@@H](C)C(=O)N[C@H](C)CCc1ccco1 ZINC000041975740 374231211 /nfs/dbraw/zinc/23/12/11/374231211.db2.gz VSSCUFZFKBMHMI-GHMZBOCLSA-N 0 0 223.316 2.763 50 0 BFAARN O=C(NCc1ccc(Cl)s1)c1ccoc1 ZINC000025524254 182250657 /nfs/dbraw/zinc/25/06/57/182250657.db2.gz MQCOWFBNORZYTG-UHFFFAOYSA-N 0 0 241.699 2.925 50 0 BFAARN O=C(NCc1cccs1)NCC1CCCC1 ZINC000046886060 182263417 /nfs/dbraw/zinc/26/34/17/182263417.db2.gz CDEJSTSMWAEMQQ-UHFFFAOYSA-N 0 0 238.356 2.738 50 0 BFAARN O=C(NCc1cccs1)[C@H]1CC=CCC1 ZINC000032994412 182264320 /nfs/dbraw/zinc/26/43/20/182264320.db2.gz ZYTJPIJNEORIDE-JTQLQIEISA-N 0 0 221.325 2.721 50 0 BFAARN O=C(NCc1ccccc1)N1CCCCCC1 ZINC000041334745 182256366 /nfs/dbraw/zinc/25/63/66/182256366.db2.gz SQAINEUTCWQGBG-UHFFFAOYSA-N 0 0 232.327 2.772 50 0 BFAARN O=C(NCc1ccccc1Cl)c1cccnc1 ZINC000006222386 182256924 /nfs/dbraw/zinc/25/69/24/182256924.db2.gz CMVTYGCKZFMKMN-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN O=C(NCc1ccccc1)c1cc(F)ccc1F ZINC000013010560 182256946 /nfs/dbraw/zinc/25/69/46/182256946.db2.gz PNWGDMWXUZDXMW-UHFFFAOYSA-N 0 0 247.244 2.895 50 0 BFAARN O=C(NCc1ccccc1F)c1ccsc1 ZINC000022423104 182258910 /nfs/dbraw/zinc/25/89/10/182258910.db2.gz AXYISUFFJBTRAB-UHFFFAOYSA-N 0 0 235.283 2.817 50 0 BFAARN O=C(NCc1ccccn1)c1cccc(Cl)c1 ZINC000000029712 182259222 /nfs/dbraw/zinc/25/92/22/182259222.db2.gz YVYDSKIWKFBNOT-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN O=C(NCc1ccccn1)c1ccccc1Cl ZINC000000029251 182259352 /nfs/dbraw/zinc/25/93/52/182259352.db2.gz XKXMLNIPBUIQLH-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN CC[C@H](NC(C)=O)c1ccc(Cl)cc1 ZINC000042009386 374236777 /nfs/dbraw/zinc/23/67/77/374236777.db2.gz VZZPTNWICPVWEE-NSHDSACASA-N 0 0 211.692 2.927 50 0 BFAARN O=C(NCc1ccncc1)c1cccc(Cl)c1 ZINC000000289722 182265347 /nfs/dbraw/zinc/26/53/47/182265347.db2.gz KMARTVRIBPTJMH-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN O=C(NCc1ccco1)Nc1ccc(F)cc1 ZINC000000347383 182261947 /nfs/dbraw/zinc/26/19/47/182261947.db2.gz BMADWXFAIIIXJP-UHFFFAOYSA-N 0 0 234.230 2.740 50 0 BFAARN CC(C)CNC(=O)Cc1csc(C(C)C)n1 ZINC000042814338 374291210 /nfs/dbraw/zinc/29/12/10/374291210.db2.gz XJOWAKSRXVBNPT-UHFFFAOYSA-N 0 0 240.372 2.581 50 0 BFAARN CS[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000042828792 374291236 /nfs/dbraw/zinc/29/12/36/374291236.db2.gz WPRVRMDTLNMXSH-GHMZBOCLSA-N 0 0 237.368 2.924 50 0 BFAARN Cc1ccc(NC(=O)NN2CCCCC2)cc1 ZINC000010409037 374296694 /nfs/dbraw/zinc/29/66/94/374296694.db2.gz OQRQORKUIHALPY-UHFFFAOYSA-N 0 0 233.315 2.517 50 0 BFAARN CC(C)Cc1noc(CN2CCC[C@@H](C)C2)n1 ZINC000042665633 374282486 /nfs/dbraw/zinc/28/24/86/374282486.db2.gz ZGOVAMWMOVGFGE-LLVKDONJSA-N 0 0 237.347 2.500 50 0 BFAARN COc1cc(-c2ccc(F)cc2C)nc(OC)n1 ZINC000426423808 206048117 /nfs/dbraw/zinc/04/81/17/206048117.db2.gz WVEXQQFMMVNBPA-UHFFFAOYSA-N 0 0 248.257 2.608 50 0 BFAARN O=C(N[C@@H]1CCCOc2ccccc21)C1CCC1 ZINC000069515129 182295868 /nfs/dbraw/zinc/29/58/68/182295868.db2.gz YHHABJQIFWCFDG-CYBMUJFWSA-N 0 0 245.322 2.817 50 0 BFAARN CCCCNC(=O)c1ccc(OC)c(C)c1 ZINC000013945942 168862613 /nfs/dbraw/zinc/86/26/13/168862613.db2.gz FGEGBUAWPSNKKW-UHFFFAOYSA-N 0 0 221.300 2.534 50 0 BFAARN O=C(N[C@@H]1CCOc2ccccc21)c1ccoc1 ZINC000036394049 182307391 /nfs/dbraw/zinc/30/73/91/182307391.db2.gz WPUHDWDFVPVULQ-GFCCVEGCSA-N 0 0 243.262 2.533 50 0 BFAARN O=C(N[C@@H]1CCSC1)c1cccc(Cl)c1 ZINC000000141792 182308159 /nfs/dbraw/zinc/30/81/59/182308159.db2.gz SMUALVGEAPIQET-SNVBAGLBSA-N 0 0 241.743 2.575 50 0 BFAARN O=C(N[C@@H]1COC2(C1)CCCCC2)c1ccco1 ZINC000065525512 182314562 /nfs/dbraw/zinc/31/45/62/182314562.db2.gz ATZIQQCSDBKIHY-NSHDSACASA-N 0 0 249.310 2.501 50 0 BFAARN O=C(N[C@H](c1ccccc1)C1CC1)C1CC1 ZINC000012847236 182325230 /nfs/dbraw/zinc/32/52/30/182325230.db2.gz TZOAOHYZHXPCPD-CYBMUJFWSA-N 0 0 215.296 2.664 50 0 BFAARN O=C(Nc1ccc(Cl)cc1)c1ccc(=O)oc1 ZINC000003186287 182354060 /nfs/dbraw/zinc/35/40/60/182354060.db2.gz MJYYMJQGJSTSAY-UHFFFAOYSA-N 0 0 249.653 2.546 50 0 BFAARN O=C(Nc1ccc(F)cc1)c1ccccc1O ZINC000006567818 182356309 /nfs/dbraw/zinc/35/63/09/182356309.db2.gz JRFWTJJEUHYSHV-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1c[nH]c2ccccc12)N1CCCC1 ZINC000005299788 182347241 /nfs/dbraw/zinc/34/72/41/182347241.db2.gz OVGVGYIVMOSZCP-UHFFFAOYSA-N 0 0 229.283 2.796 50 0 BFAARN O=C(Nc1cc(F)cc(F)c1)c1ccco1 ZINC000004814499 182349744 /nfs/dbraw/zinc/34/97/44/182349744.db2.gz RDCGZWVILBNZMR-UHFFFAOYSA-N 0 0 223.178 2.810 50 0 BFAARN CCCCNC(=S)Nc1cccc(OC)c1 ZINC000002895451 168865881 /nfs/dbraw/zinc/86/58/81/168865881.db2.gz CLAHZRYQUAYFGD-UHFFFAOYSA-N 0 0 238.356 2.782 50 0 BFAARN O=C(Nc1ccc(O)cc1)c1cccc(F)c1 ZINC000000321037 182360497 /nfs/dbraw/zinc/36/04/97/182360497.db2.gz AZOOMGIXRORONB-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1ccc2n[nH]cc2c1)C1CCCC1 ZINC000006700498 182362404 /nfs/dbraw/zinc/36/24/04/182362404.db2.gz KJZHODCXSKEVCZ-UHFFFAOYSA-N 0 0 229.283 2.692 50 0 BFAARN O=C(Nc1ccc2c(c1)CCC2)c1ccncc1 ZINC000003609636 182363400 /nfs/dbraw/zinc/36/34/00/182363400.db2.gz FMCHXHAVLMDQKM-UHFFFAOYSA-N 0 0 238.290 2.823 50 0 BFAARN O=C(Nc1ccc2c(c1)CCO2)NC1CCCC1 ZINC000031042513 182363555 /nfs/dbraw/zinc/36/35/55/182363555.db2.gz IACZLCFXKLAAAG-UHFFFAOYSA-N 0 0 246.310 2.686 50 0 BFAARN O=C(Nc1cccc2cnccc21)C1CCC1 ZINC000007655288 182374728 /nfs/dbraw/zinc/37/47/28/182374728.db2.gz QRVGHUPKJBIXIK-UHFFFAOYSA-N 0 0 226.279 2.973 50 0 BFAARN O=C(Nc1cccc2ncccc21)c1cccnc1 ZINC000000556491 182374807 /nfs/dbraw/zinc/37/48/07/182374807.db2.gz OLVQCHMCFCRHSB-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1ccccc1F)c1ccco1 ZINC000000298967 182379194 /nfs/dbraw/zinc/37/91/94/182379194.db2.gz JNAQMRMTOIZFEN-UHFFFAOYSA-N 0 0 205.188 2.671 50 0 BFAARN O=C(Nc1ccccc1)OCc1cncs1 ZINC000001403732 182376617 /nfs/dbraw/zinc/37/66/17/182376617.db2.gz IURAMCUZZUHHPO-UHFFFAOYSA-N 0 0 234.280 2.892 50 0 BFAARN O=C(Nc1ccccc1CO)c1cccc(F)c1 ZINC000000446392 182377591 /nfs/dbraw/zinc/37/75/91/182377591.db2.gz QNZKLSWKVSDLPQ-UHFFFAOYSA-N 0 0 245.253 2.570 50 0 BFAARN O=C(Nc1ccccc1)c1nc2ccccc2[nH]1 ZINC000011535785 182378170 /nfs/dbraw/zinc/37/81/70/182378170.db2.gz XOZHJGPWRAFSMY-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 BFAARN O=C(Nc1ccccc1F)NC1CCCC1 ZINC000000399272 182379090 /nfs/dbraw/zinc/37/90/90/182379090.db2.gz HGTZGIHYCXESGV-UHFFFAOYSA-N 0 0 222.263 2.890 50 0 BFAARN O=C(Nc1nccs1)Nc1cccc(F)c1 ZINC000000400174 182369356 /nfs/dbraw/zinc/36/93/56/182369356.db2.gz NBSHVHOLKOPBQC-UHFFFAOYSA-N 0 0 237.259 2.926 50 0 BFAARN O=C(Nc1ccccc1Cl)c1ccncc1 ZINC000000347248 182379409 /nfs/dbraw/zinc/37/94/09/182379409.db2.gz VMTRIPSYQVALTD-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1cccc(N2CCCC2)c1)C1CC1 ZINC000041371611 182370433 /nfs/dbraw/zinc/37/04/33/182370433.db2.gz HYGUTPLTLCMJIZ-UHFFFAOYSA-N 0 0 230.311 2.635 50 0 BFAARN O=C(Nc1cccc(O)c1)NC1CCCCC1 ZINC000000388976 182371165 /nfs/dbraw/zinc/37/11/65/182371165.db2.gz JPXJXHASUDJSOC-UHFFFAOYSA-N 0 0 234.299 2.846 50 0 BFAARN O=C(Nc1cccc(F)c1)c1ccoc1 ZINC000016200080 182371267 /nfs/dbraw/zinc/37/12/67/182371267.db2.gz NVXAHEVSWKBHIM-UHFFFAOYSA-N 0 0 205.188 2.671 50 0 BFAARN O=C(Nc1cccc2c[nH]nc21)c1ccsc1 ZINC000039551677 182374231 /nfs/dbraw/zinc/37/42/31/182374231.db2.gz PTXMWJUAJFFIQB-UHFFFAOYSA-N 0 0 243.291 2.877 50 0 BFAARN O=C(Nc1cnc2ccccc2c1)N1CCCC1 ZINC000000081948 182392501 /nfs/dbraw/zinc/39/25/01/182392501.db2.gz XNWNTFPINDSULD-UHFFFAOYSA-N 0 0 241.294 2.863 50 0 BFAARN O=C(Nc1cn[nH]c1)c1ccc2c(c1)CCCC2 ZINC000035237733 182392766 /nfs/dbraw/zinc/39/27/66/182392766.db2.gz AZPLSZORIKTKDJ-UHFFFAOYSA-N 0 0 241.294 2.541 50 0 BFAARN O=C(Nc1ccccn1)[C@H]1CCCC(F)(F)C1 ZINC000225724895 182382121 /nfs/dbraw/zinc/38/21/21/182382121.db2.gz KYWLPZRHGYROND-VIFPVBQESA-N 0 0 240.253 2.846 50 0 BFAARN O=C(Nc1ccccn1)NC1CCCCCC1 ZINC000042996393 182382202 /nfs/dbraw/zinc/38/22/02/182382202.db2.gz VWZTWOQXPNEJRM-UHFFFAOYSA-N 0 0 233.315 2.926 50 0 BFAARN O=C(Nc1cccnc1)[C@H]1CC12CCCC2 ZINC000020780644 182383745 /nfs/dbraw/zinc/38/37/45/182383745.db2.gz RZDOLANVULRPPR-LLVKDONJSA-N 0 0 216.284 2.600 50 0 BFAARN O=C(Nc1cccnc1Cl)c1ccccc1 ZINC000000362878 182385110 /nfs/dbraw/zinc/38/51/10/182385110.db2.gz NYRKNLRWRFDBST-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1ccncc1)C1(c2ccccc2)CC1 ZINC000032726359 182386945 /nfs/dbraw/zinc/38/69/45/182386945.db2.gz KHRHGOKZYGBLGZ-UHFFFAOYSA-N 0 0 238.290 2.752 50 0 BFAARN O=C(Nc1ccon1)c1ccc(Cl)s1 ZINC000001054840 182388654 /nfs/dbraw/zinc/38/86/54/182388654.db2.gz IFIOPSZTUMUTHG-UHFFFAOYSA-N 0 0 228.660 2.642 50 0 BFAARN O=C(Nc1ccon1)c1cccc(Cl)c1 ZINC000001056321 182388856 /nfs/dbraw/zinc/38/88/56/182388856.db2.gz YMDSPAORQHWBQI-UHFFFAOYSA-N 0 0 222.631 2.580 50 0 BFAARN O=C(Nc1nc2ccccc2[nH]1)c1cccs1 ZINC000000807841 182397467 /nfs/dbraw/zinc/39/74/67/182397467.db2.gz CVWNRLYSTJFZAE-UHFFFAOYSA-N 0 0 243.291 2.877 50 0 BFAARN CCCCNc1nc(-c2ccc(OC)cc2)no1 ZINC000021922386 168880711 /nfs/dbraw/zinc/88/07/11/168880711.db2.gz IHLWVHJDWXYXRS-UHFFFAOYSA-N 0 0 247.298 2.957 50 0 BFAARN O=C([O-])c1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000004657610 182565862 /nfs/dbraw/zinc/56/58/62/182565862.db2.gz IEUAXLUYYGHMLQ-UHFFFAOYSA-N 0 0 247.319 2.736 50 0 BFAARN O=C(Oc1ccccc1)c1ccc2c(c1)CCO2 ZINC000000168925 182610564 /nfs/dbraw/zinc/61/05/64/182610564.db2.gz HSIBNTRKQQQUDO-UHFFFAOYSA-N 0 0 240.258 2.841 50 0 BFAARN O=C(c1cc2cc(F)ccc2[nH]1)N1CCCC1 ZINC000020028468 182652425 /nfs/dbraw/zinc/65/24/25/182652425.db2.gz FFIGERJRDVQYHA-UHFFFAOYSA-N 0 0 232.258 2.543 50 0 BFAARN CCOC(=O)Cc1nc(C(C)C)c(C)s1 ZINC000037755181 170235778 /nfs/dbraw/zinc/23/57/78/170235778.db2.gz QRRARGMNVPOSKK-UHFFFAOYSA-N 0 0 227.329 2.681 50 0 BFAARN O=C(c1cccnc1)c1cc(F)c(F)c(F)c1 ZINC000043391865 182684306 /nfs/dbraw/zinc/68/43/06/182684306.db2.gz VNPLYWRUAUXPFF-UHFFFAOYSA-N 0 0 237.180 2.730 50 0 BFAARN CCOC(=O)NC(C)(C)Cc1ccccc1 ZINC000000394198 170241217 /nfs/dbraw/zinc/24/12/17/170241217.db2.gz MZHYGGYUFBUFDV-UHFFFAOYSA-N 0 0 221.300 2.754 50 0 BFAARN O=C1CCCN1Cc1cc(C2CCCCC2)no1 ZINC000095391824 182732255 /nfs/dbraw/zinc/73/22/55/182732255.db2.gz ZPRPCIISNHZSEX-UHFFFAOYSA-N 0 0 248.326 2.845 50 0 BFAARN O=C1c2ccccc2C(=O)N1Cc1cccs1 ZINC000000402122 182845026 /nfs/dbraw/zinc/84/50/26/182845026.db2.gz FRBDLDNQZCDPOB-UHFFFAOYSA-N 0 0 243.287 2.544 50 0 BFAARN O=Cc1c(-c2ccc(F)cc2)nc2ccccn12 ZINC000000105303 182857454 /nfs/dbraw/zinc/85/74/54/182857454.db2.gz UNQZNGMFGRJLEG-UHFFFAOYSA-N 0 0 240.237 2.953 50 0 BFAARN O=Cc1c(F)cc(F)cc1Br ZINC000090413250 182859200 /nfs/dbraw/zinc/85/92/00/182859200.db2.gz AUARHFHPKLBXDO-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN O=Cc1cc(Cn2cnc3ccccc32)cs1 ZINC000004343048 182862925 /nfs/dbraw/zinc/86/29/25/182862925.db2.gz ZRCCMEXVAIXJEQ-UHFFFAOYSA-N 0 0 242.303 2.959 50 0 BFAARN O=Cc1cccc(OC(=O)c2ccccc2F)c1 ZINC000005867815 182871615 /nfs/dbraw/zinc/87/16/15/182871615.db2.gz MJHRYLJXYVVMFN-UHFFFAOYSA-N 0 0 244.221 2.857 50 0 BFAARN CCCCOc1cc(F)c(O)c(F)c1 ZINC000091251973 168915394 /nfs/dbraw/zinc/91/53/94/168915394.db2.gz NZXOEPFBEOGOTJ-UHFFFAOYSA-N 0 0 202.200 2.849 50 0 BFAARN O=c1cc(CSc2ccccc2)occ1O ZINC000019928422 182994789 /nfs/dbraw/zinc/99/47/89/182994789.db2.gz HOVLWGFSEOFXSR-UHFFFAOYSA-N 0 0 234.276 2.638 50 0 BFAARN O=c1ccc2ccc(Br)cc2o1 ZINC000034250627 183001492 /nfs/dbraw/zinc/00/14/92/183001492.db2.gz PFJPBLFPJISXMF-UHFFFAOYSA-N 0 0 225.041 2.556 50 0 BFAARN O=c1oc(Nc2ccccc2)nc2ccccc21 ZINC000000068786 183012527 /nfs/dbraw/zinc/01/25/27/183012527.db2.gz UUMLXNZZKFQMMR-UHFFFAOYSA-N 0 0 238.246 2.932 50 0 BFAARN O=c1sc(-c2ccccc2)nc(O)c1Cl ZINC000000527665 183013107 /nfs/dbraw/zinc/01/31/07/183013107.db2.gz PKVZJZKOVPZBDV-UHFFFAOYSA-N 0 0 239.683 2.529 50 0 BFAARN O=C1C[C@@H](c2ccccc2)c2c[nH]nc2N1 ZINC000020719779 183025827 /nfs/dbraw/zinc/02/58/27/183025827.db2.gz LCNRMORZSYWTKS-VIFPVBQESA-N 0 0 213.240 2.533 50 0 BFAARN OCCCSc1ccc(Cl)cc1 ZINC000035114139 183062893 /nfs/dbraw/zinc/06/28/93/183062893.db2.gz LDVKNTWVKFOLPC-UHFFFAOYSA-N 0 0 202.706 2.815 50 0 BFAARN OCCCc1nc(Cc2ccccc2)cs1 ZINC000096501804 183063839 /nfs/dbraw/zinc/06/38/39/183063839.db2.gz LLKVOACPUKSMEC-UHFFFAOYSA-N 0 0 233.336 2.659 50 0 BFAARN OCCCc1ccc(OC(F)(F)F)cc1 ZINC000044396269 183064002 /nfs/dbraw/zinc/06/40/02/183064002.db2.gz FGGLBUFMUXDVBV-UHFFFAOYSA-N 0 0 220.190 2.510 50 0 BFAARN OCCSc1ccc(C(F)(F)F)cc1 ZINC000002511116 183089669 /nfs/dbraw/zinc/08/96/69/183089669.db2.gz CTBDPWZFUOFNIH-UHFFFAOYSA-N 0 0 222.231 2.790 50 0 BFAARN OCCc1cc2cc(Br)ccc2o1 ZINC000021987076 183100133 /nfs/dbraw/zinc/10/01/33/183100133.db2.gz CBURFCSPYDRJQA-UHFFFAOYSA-N 0 0 241.084 2.730 50 0 BFAARN OCCc1ccc(NC2CCCC2)cc1 ZINC000040737827 183100232 /nfs/dbraw/zinc/10/02/32/183100232.db2.gz DLQRDFYHJDQVJN-UHFFFAOYSA-N 0 0 205.301 2.576 50 0 BFAARN OC[C@@H](Nc1ccccc1)c1ccccc1 ZINC000026897327 183111399 /nfs/dbraw/zinc/11/13/99/183111399.db2.gz SZYXTSZZPUQJNB-CQSZACIVSA-N 0 0 213.280 2.832 50 0 BFAARN OC[C@H](F)Sc1nc2ccccc2s1 ZINC000001383756 183138965 /nfs/dbraw/zinc/13/89/65/183138965.db2.gz MWRUARLTYWJLAR-MRVPVSSYSA-N 0 0 229.301 2.676 50 0 BFAARN CCCCn1c2cc(C)ccc2oc1=O ZINC000002489090 169032438 /nfs/dbraw/zinc/03/24/38/169032438.db2.gz DGFMKJGNAYBXIG-UHFFFAOYSA-N 0 0 205.257 2.703 50 0 BFAARN CCCCn1c(C)nc2cc(C(=O)OC)ccc21 ZINC000095496063 169033508 /nfs/dbraw/zinc/03/35/08/169033508.db2.gz LDLPBTPRVZISRM-UHFFFAOYSA-N 0 0 246.310 2.931 50 0 BFAARN CCCCn1c(C=O)nc2ccccc21 ZINC000002689401 169033716 /nfs/dbraw/zinc/03/37/16/169033716.db2.gz XCCVBLAZECLPMJ-UHFFFAOYSA-N 0 0 202.257 2.649 50 0 BFAARN CCCCn1ncnc1-c1n[nH]c2ccccc21 ZINC000091908435 169038991 /nfs/dbraw/zinc/03/89/91/169038991.db2.gz OOTVZEMGUDXJPL-UHFFFAOYSA-N 0 0 241.298 2.622 50 0 BFAARN OCc1cc(-c2ccccc2)ccc1O ZINC000015799500 183160053 /nfs/dbraw/zinc/16/00/53/183160053.db2.gz BKSUNIAMWIOSTH-UHFFFAOYSA-N 0 0 200.237 2.552 50 0 BFAARN OCc1cc(-c2cnc3ccccc3c2)ccn1 ZINC000065370452 183160265 /nfs/dbraw/zinc/16/02/65/183160265.db2.gz DUZKBKCHVUNESG-UHFFFAOYSA-N 0 0 236.274 2.789 50 0 BFAARN OCc1c(Cl)ncn1-c1ccc(Cl)cc1 ZINC000069949538 183160899 /nfs/dbraw/zinc/16/08/99/183160899.db2.gz ACKMKIYMQAYHOS-UHFFFAOYSA-N 0 0 243.093 2.671 50 0 BFAARN OCc1cc(Cl)cc(Br)c1 ZINC000035322940 183161327 /nfs/dbraw/zinc/16/13/27/183161327.db2.gz XGBLROAPOAITNY-UHFFFAOYSA-N 0 0 221.481 2.595 50 0 BFAARN OCc1cc2ccccc2nc1NC1CC=CC1 ZINC000089873037 183161813 /nfs/dbraw/zinc/16/18/13/183161813.db2.gz NVRCEKXGFOUKDD-UHFFFAOYSA-N 0 0 240.306 2.858 50 0 BFAARN OCc1ccc(-c2ccccc2F)cc1 ZINC000001257307 183162831 /nfs/dbraw/zinc/16/28/31/183162831.db2.gz WABWIEVUZWQZLC-UHFFFAOYSA-N 0 0 202.228 2.985 50 0 BFAARN O[C@@H](CNc1ccccc1)COc1ccccc1 ZINC000005162459 183181955 /nfs/dbraw/zinc/18/19/55/183181955.db2.gz DSXTWXWHWLDHFS-AWEZNQCLSA-N 0 0 243.306 2.538 50 0 BFAARN O[C@@H](c1ccc(Br)cc1)C(F)F ZINC000034777527 183184611 /nfs/dbraw/zinc/18/46/11/183184611.db2.gz MACLWDXHRYFAPX-ZETCQYMHSA-N 0 0 237.043 2.748 50 0 BFAARN OCc1ccc(OCc2ccccc2F)cc1 ZINC000000473773 183166663 /nfs/dbraw/zinc/16/66/63/183166663.db2.gz GEPCVUQQSDLTEN-UHFFFAOYSA-N 0 0 232.254 2.897 50 0 BFAARN OCc1cccc(-c2ccc(O)cc2)c1 ZINC000065339933 183167701 /nfs/dbraw/zinc/16/77/01/183167701.db2.gz VBMGUGNVDOLINV-UHFFFAOYSA-N 0 0 200.237 2.552 50 0 BFAARN O[C@@H](c1ccc(C(F)(F)F)nc1)C(F)(F)F ZINC000025336472 183184650 /nfs/dbraw/zinc/18/46/50/183184650.db2.gz HNYGGCHYEXEFKE-LURJTMIESA-N 0 0 245.122 2.696 50 0 BFAARN OCc1ccncc1NC/C=C\c1ccccc1 ZINC000221691868 183169366 /nfs/dbraw/zinc/16/93/66/183169366.db2.gz XQXCKPCGMSQXLT-DAXSKMNVSA-N 0 0 240.306 2.699 50 0 BFAARN O[C@H](c1cccs1)c1ccc2c(c1)OCO2 ZINC000000054633 183185449 /nfs/dbraw/zinc/18/54/49/183185449.db2.gz LDFIRGAVJFQERU-LBPRGKRZSA-N 0 0 234.276 2.559 50 0 BFAARN O[C@H](c1ccsc1)[C@@H](O)c1ccsc1 ZINC000012341641 183187100 /nfs/dbraw/zinc/18/71/00/183187100.db2.gz IWYXQWCFZSLUJX-AOOOYVTPSA-N 0 0 226.322 2.577 50 0 BFAARN O[C@@H]1/C(=C\c2ccccc2Cl)N2CCC1CC2 ZINC000000192692 183187311 /nfs/dbraw/zinc/18/73/11/183187311.db2.gz FWQZIYFJKFBOIY-SSUFTNFISA-N 0 0 249.741 2.767 50 0 BFAARN O[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000042405571 183207271 /nfs/dbraw/zinc/20/72/71/183207271.db2.gz BOTGRKVUUXJWSQ-SECBINFHSA-N 0 0 218.174 2.565 50 0 BFAARN O[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000002044938 183228638 /nfs/dbraw/zinc/22/86/38/183228638.db2.gz ZFUPOFQRQNJDNS-GFCCVEGCSA-N 0 0 219.671 2.817 50 0 in-vitro BFAARN O[C@H](c1cncc(F)c1)C1CCCCC1 ZINC000049577111 183230052 /nfs/dbraw/zinc/23/00/52/183230052.db2.gz MVIKMCVCOLTJTA-LBPRGKRZSA-N 0 0 209.264 2.834 50 0 BFAARN O[C@H](c1nc2ccccc2s1)C(F)(F)F ZINC000008132974 183230353 /nfs/dbraw/zinc/23/03/53/183230353.db2.gz VIIWUYMGSVRMGH-SSDOTTSWSA-N 0 0 233.214 2.892 50 0 BFAARN O[C@H]1CCC[C@H]1Nc1ccc2ccccc2n1 ZINC000195575373 183237867 /nfs/dbraw/zinc/23/78/67/183237867.db2.gz IQAYUXVPACNULT-OLZOCXBDSA-N 0 0 228.295 2.560 50 0 BFAARN O=C1Nc2ccccc2C1OCc1ccncc1 ZINC000000320147 183253075 /nfs/dbraw/zinc/25/30/75/183253075.db2.gz FXSBFEYIOAISKM-UHFFFAOYSA-N 0 0 240.262 2.848 50 0 BFAARN Oc1ccc(Br)cc1-c1ccno1 ZINC000000403148 183266835 /nfs/dbraw/zinc/26/68/35/183266835.db2.gz CZXKAQGBZPKRHU-UHFFFAOYSA-N 0 0 240.056 2.810 50 0 BFAARN Oc1ccc(Br)cc1-c1cc[nH]n1 ZINC000013121951 183267476 /nfs/dbraw/zinc/26/74/76/183267476.db2.gz PNIKRSVKWZRJOK-UHFFFAOYSA-N 0 0 239.072 2.545 50 0 BFAARN Oc1ccc(Br)cc1-c1ncc[nH]1 ZINC000038953899 183267660 /nfs/dbraw/zinc/26/76/60/183267660.db2.gz BZCSFHRLFIGHOR-UHFFFAOYSA-N 0 0 239.072 2.545 50 0 BFAARN Oc1ccc(Cc2ccccc2O)cc1 ZINC000000162390 183271573 /nfs/dbraw/zinc/27/15/73/183271573.db2.gz LVLNPXCISNPHLE-UHFFFAOYSA-N 0 0 200.237 2.689 50 0 BFAARN Oc1ccc(Cc2ccccc2)c(O)c1 ZINC000001841334 183271590 /nfs/dbraw/zinc/27/15/90/183271590.db2.gz QVFIWTNWKHFVEH-UHFFFAOYSA-N 0 0 200.237 2.689 50 0 BFAARN Oc1ccc(CNc2cccc3c[nH]nc32)cc1 ZINC000037100141 183271898 /nfs/dbraw/zinc/27/18/98/183271898.db2.gz ROBBWCOIOYGWJJ-UHFFFAOYSA-N 0 0 239.278 2.881 50 0 BFAARN Oc1ccc(N2Cc3ccccc3C2)cc1 ZINC000000205456 183274495 /nfs/dbraw/zinc/27/44/95/183274495.db2.gz DFNOLMHJSPCGNX-UHFFFAOYSA-N 0 0 211.264 2.912 50 0 BFAARN Oc1ccc(OC(F)(F)F)cc1Cl ZINC000002540209 183276913 /nfs/dbraw/zinc/27/69/13/183276913.db2.gz LSTYNKXVEMLNBE-UHFFFAOYSA-N 0 0 212.554 2.944 50 0 BFAARN O=c1cc(Br)cc2[nH]cccc1-2 ZINC000079061955 183256888 /nfs/dbraw/zinc/25/68/88/183256888.db2.gz DSLUBMAJPKDQJM-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Oc1ccccc1OC[C@@H](O)c1ccccc1 ZINC000003190063 183303591 /nfs/dbraw/zinc/30/35/91/183303591.db2.gz GPCWYPVIFBLEET-CYBMUJFWSA-N 0 0 230.263 2.505 50 0 BFAARN S=c1nc2sccn2c2ncccc12 ZINC000000093684 183314864 /nfs/dbraw/zinc/31/48/64/183314864.db2.gz KRQRLEBPIZVJRT-UHFFFAOYSA-N 0 0 219.294 2.673 50 0 BFAARN c1snnc1-c1cccc(-c2csnn2)c1 ZINC000000387666 183328632 /nfs/dbraw/zinc/32/86/32/183328632.db2.gz UVKYCBSIVOLTEV-UHFFFAOYSA-N 0 0 246.320 2.724 50 0 BFAARN c1cc(-c2nc([C@@H]3CCCCCN3)no2)co1 ZINC000096001558 183330753 /nfs/dbraw/zinc/33/07/53/183330753.db2.gz CHNOJUDWMFDQRC-JTQLQIEISA-N 0 0 233.271 2.534 50 0 BFAARN c1cc(-c2nnc(-c3ccncc3)s2)ccn1 ZINC000001081512 183331588 /nfs/dbraw/zinc/33/15/88/183331588.db2.gz UQDBUNOBHAOPPJ-UHFFFAOYSA-N 0 0 240.291 2.662 50 0 BFAARN S=C(NCc1ccco1)Nc1ccccc1 ZINC000000059350 183310925 /nfs/dbraw/zinc/31/09/25/183310925.db2.gz RJZAQQXEFJDQTR-UHFFFAOYSA-N 0 0 232.308 2.766 50 0 BFAARN S=C(NCc1ccccc1)Nc1nccs1 ZINC000000080959 183311303 /nfs/dbraw/zinc/31/13/03/183311303.db2.gz PDHMEDMWKUZUAB-UHFFFAOYSA-N 0 0 249.364 2.630 50 0 in-vivo BFAARN S=C(NCc1ccncc1)Nc1ccccc1 ZINC000002978509 183311799 /nfs/dbraw/zinc/31/17/99/183311799.db2.gz VUGOCNWJAQLFOT-UHFFFAOYSA-N 0 0 243.335 2.568 50 0 BFAARN S=C(c1ccccc1)N1CCCCC1 ZINC000000306129 183312830 /nfs/dbraw/zinc/31/28/30/183312830.db2.gz VAKVXOSNJMACTA-UHFFFAOYSA-N 0 0 205.326 2.848 50 0 BFAARN CCCNC(=O)c1sc(C(C)C)nc1C ZINC000040092989 169254004 /nfs/dbraw/zinc/25/40/04/169254004.db2.gz NSGRGKCBRYMECM-UHFFFAOYSA-N 0 0 226.345 2.715 50 0 BFAARN CCCNC(=S)Nc1ccc(C)cc1 ZINC000002814238 169254205 /nfs/dbraw/zinc/25/42/05/169254205.db2.gz AJCXTUVBFXRCBE-UHFFFAOYSA-N 0 0 208.330 2.691 50 0 BFAARN CCCNC(=S)NCc1ccccc1Cl ZINC000007571280 169254315 /nfs/dbraw/zinc/25/43/15/169254315.db2.gz PDXWDGNKQVYUSG-UHFFFAOYSA-N 0 0 242.775 2.714 50 0 BFAARN c1cc2[nH]c3c(c2c2nonc12)CCCC3 ZINC000000210072 183364357 /nfs/dbraw/zinc/36/43/57/183364357.db2.gz RRVHUDPMBZLKCO-UHFFFAOYSA-N 0 0 213.240 2.583 50 0 BFAARN CCCNC(=O)Nc1cc(C)cc(C)c1 ZINC000002171996 169239295 /nfs/dbraw/zinc/23/92/95/169239295.db2.gz XEDJSYWKFPTERV-UHFFFAOYSA-N 0 0 206.289 2.835 50 0 BFAARN CCCNC(=O)Nc1cc(C)ccc1OC ZINC000002171992 169239301 /nfs/dbraw/zinc/23/93/01/169239301.db2.gz IHLALIXAZHDFON-UHFFFAOYSA-N 0 0 222.288 2.535 50 0 BFAARN CCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000005468592 169241931 /nfs/dbraw/zinc/24/19/31/169241931.db2.gz GFQZRWARHUUGKQ-SECBINFHSA-N 0 0 241.718 2.634 50 0 BFAARN c1ccc(-c2nnc(-c3ccncc3)[nH]2)cc1 ZINC000003158836 183382508 /nfs/dbraw/zinc/38/25/08/183382508.db2.gz FFKGGRPAHKNYHP-UHFFFAOYSA-N 0 0 222.251 2.534 50 0 BFAARN c1ccc(-c2nc3c4ccccc4ncn3n2)cc1 ZINC000009690953 183383159 /nfs/dbraw/zinc/38/31/59/183383159.db2.gz WEVFZSPQCJMEPE-UHFFFAOYSA-N 0 0 246.273 2.945 50 0 BFAARN c1ccc(-c2nnnc3ccccc32)cc1 ZINC000000482061 183384299 /nfs/dbraw/zinc/38/42/99/183384299.db2.gz YSKOFAYGTBLQTL-UHFFFAOYSA-N 0 0 207.236 2.692 50 0 BFAARN c1ccc(-c2noc(NCC3CCC3)n2)cc1 ZINC000062639984 183384842 /nfs/dbraw/zinc/38/48/42/183384842.db2.gz DUNOPKCWRLVJHJ-UHFFFAOYSA-N 0 0 229.283 2.949 50 0 BFAARN c1c[nH]c(-c2nc(-c3ccccc3)no2)c1 ZINC000045893678 183384981 /nfs/dbraw/zinc/38/49/81/183384981.db2.gz LIFYRTYXHRVHET-UHFFFAOYSA-N 0 0 211.224 2.732 50 0 BFAARN CCCNC(=O)c1ccc(OC(C)C)cc1 ZINC000006746358 169251398 /nfs/dbraw/zinc/25/13/98/169251398.db2.gz SAKGWTFXSHCZGU-UHFFFAOYSA-N 0 0 221.300 2.614 50 0 BFAARN CCCNC(=O)c1ccnc(-c2cccs2)c1 ZINC000065063070 169252414 /nfs/dbraw/zinc/25/24/14/169252414.db2.gz NQJAGUVLDZUPBK-UHFFFAOYSA-N 0 0 246.335 2.950 50 0 BFAARN CCCNC(=O)c1ccccc1Br ZINC000004676198 169252664 /nfs/dbraw/zinc/25/26/64/169252664.db2.gz XNIZYPMLUVRLJS-UHFFFAOYSA-N 0 0 242.116 2.589 50 0 BFAARN CCCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000001907226 169252883 /nfs/dbraw/zinc/25/28/83/169252883.db2.gz ORGSSUKWQGWDNB-UHFFFAOYSA-N 0 0 230.311 2.925 50 0 BFAARN c1ccc(C2=NCCN3[C@H](c4ccccc4)[C@H]23)cc1 ZINC000034857980 183388783 /nfs/dbraw/zinc/38/87/83/183388783.db2.gz QVPANXFAXRPUEK-FQZXCLDYSA-N 0 0 248.329 2.915 50 0 BFAARN c1nc(SCCCc2ccccc2)n[nH]1 ZINC000040456851 183392277 /nfs/dbraw/zinc/39/22/77/183392277.db2.gz AAFRRTOXAJIXEA-UHFFFAOYSA-N 0 0 219.313 2.530 50 0 BFAARN c1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000000494244 183412051 /nfs/dbraw/zinc/41/20/51/183412051.db2.gz DGKKYIGBOVQCRT-UHFFFAOYSA-N 0 0 227.311 2.595 50 0 BFAARN c1c[nH]c(-c2n[nH]c(CCc3ccccc3)n2)c1 ZINC000067774412 183394747 /nfs/dbraw/zinc/39/47/47/183394747.db2.gz ZDGFNFLJBDBTOF-UHFFFAOYSA-N 0 0 238.294 2.585 50 0 BFAARN CCCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000001599001 169272720 /nfs/dbraw/zinc/27/27/20/169272720.db2.gz TVRBYADTSMCGFW-UHFFFAOYSA-N 0 0 249.335 2.528 50 0 BFAARN CCCOc1cc(C)ccc1NC(=O)N(C)C ZINC000069739841 169314474 /nfs/dbraw/zinc/31/44/74/169314474.db2.gz JWMOTDOJNYIAJZ-UHFFFAOYSA-N 0 0 236.315 2.877 50 0 BFAARN CCCOc1cc(O)cc(Cl)c1F ZINC000261494008 169315228 /nfs/dbraw/zinc/31/52/28/169315228.db2.gz NYMVVSWAFVQLLN-UHFFFAOYSA-N 0 0 204.628 2.974 50 0 BFAARN CCCOc1cc2c(cc1C=O)CCC2 ZINC000019735466 169315449 /nfs/dbraw/zinc/31/54/49/169315449.db2.gz HLEKWYSEQOZUMK-UHFFFAOYSA-N 0 0 204.269 2.777 50 0 BFAARN CCCOc1ccc(Br)nc1 ZINC000072193031 169316331 /nfs/dbraw/zinc/31/63/31/169316331.db2.gz WYYGEMJWLYTXMK-UHFFFAOYSA-N 0 0 216.078 2.633 50 0 BFAARN CCCOc1ccc(-c2noc(C)n2)cc1OC ZINC000037547627 169316451 /nfs/dbraw/zinc/31/64/51/169316451.db2.gz OVFYRXMDJXKITK-UHFFFAOYSA-N 0 0 248.282 2.842 50 0 BFAARN c1ccc2[nH]c(-c3ccc4c(c3)OCO4)nc2c1 ZINC000000324214 183434647 /nfs/dbraw/zinc/43/46/47/183434647.db2.gz GRTZXYPGMLGOPL-UHFFFAOYSA-N 0 0 238.246 2.959 50 0 BFAARN CCCNc1ncc(Br)cc1C ZINC000042783842 169297195 /nfs/dbraw/zinc/29/71/95/169297195.db2.gz QUXJXXLPHPBJDL-UHFFFAOYSA-N 0 0 229.121 2.974 50 0 BFAARN CCCOc1cccc(C(=O)N2CCCC2)c1 ZINC000016580380 169324387 /nfs/dbraw/zinc/32/43/87/169324387.db2.gz QTRNGXSYJLXBAP-UHFFFAOYSA-N 0 0 233.311 2.711 50 0 BFAARN CCCOc1cncc(Br)c1 ZINC000065337592 169328245 /nfs/dbraw/zinc/32/82/45/169328245.db2.gz RPZVZCUMJDFFTE-UHFFFAOYSA-N 0 0 216.078 2.633 50 0 BFAARN CCCSCC(=O)Nc1ccccc1 ZINC000001775268 169338420 /nfs/dbraw/zinc/33/84/20/169338420.db2.gz NQZDSQJEAURWSF-UHFFFAOYSA-N 0 0 209.314 2.768 50 0 BFAARN CCC[C@@H](C)[N@@H+]1Cc2cccc(N)c2C1 ZINC000036683508 169367589 /nfs/dbraw/zinc/36/75/89/169367589.db2.gz WUXZIMTVPUKZAI-SNVBAGLBSA-N 0 0 204.317 2.773 50 0 BFAARN CCC[C@@H](C)NC(=O)Cc1cccc(F)c1 ZINC000019934946 169368157 /nfs/dbraw/zinc/36/81/57/169368157.db2.gz GLCDTORRHOQMBT-SNVBAGLBSA-N 0 0 223.291 2.673 50 0 BFAARN CCC[C@@H](C)NC(=O)Cc1ccccc1 ZINC000000030351 169368468 /nfs/dbraw/zinc/36/84/68/169368468.db2.gz USEXPDQDHPXYDI-LLVKDONJSA-N 0 0 205.301 2.534 50 0 BFAARN CCC[C@@H](C(=O)c1ccccc1)n1cncn1 ZINC000000099053 169347747 /nfs/dbraw/zinc/34/77/47/169347747.db2.gz GIASLOOCOYGRGM-LBPRGKRZSA-N 0 0 229.283 2.502 50 0 BFAARN CCC[C@@H](C)C(=O)n1nnc2ccccc21 ZINC000000444033 169353968 /nfs/dbraw/zinc/35/39/68/169353968.db2.gz YLCKSTYHCNWOFR-SECBINFHSA-N 0 0 217.272 2.508 50 0 BFAARN c1cc(-c2cccc(-c3ncccn3)c2)n[nH]1 ZINC000020210015 183477855 /nfs/dbraw/zinc/47/78/55/183477855.db2.gz FBNRSSDREJVENN-UHFFFAOYSA-N 0 0 222.251 2.534 50 0 BFAARN CCC[C@@H](C)c1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1 ZINC000097637965 169375196 /nfs/dbraw/zinc/37/51/96/169375196.db2.gz LJMZYRCLAHNZLM-SSDOTTSWSA-N 0 0 244.298 2.636 50 0 BFAARN c1cncc(CCCc2ccc3c(c2)OCO3)c1 ZINC000091594927 183489359 /nfs/dbraw/zinc/48/93/59/183489359.db2.gz YEHSYHBOUOKLGN-UHFFFAOYSA-N 0 0 241.290 2.986 50 0 BFAARN c1csc(-c2cc(CN3CCCC3)no2)c1 ZINC000052858212 183512284 /nfs/dbraw/zinc/51/22/84/183512284.db2.gz KPHNEJJWPXETGS-UHFFFAOYSA-N 0 0 234.324 2.999 50 0 BFAARN CCC[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000004197085 169475249 /nfs/dbraw/zinc/47/52/49/169475249.db2.gz RWVDXCQFPYWMPK-JTQLQIEISA-N 0 0 249.310 2.833 50 0 BFAARN CCC[C@H](C)NC(=O)c1ccc(OC)c(C)c1 ZINC000009140107 169492838 /nfs/dbraw/zinc/49/28/38/169492838.db2.gz PYQNHXOKTVCWKY-NSHDSACASA-N 0 0 235.327 2.922 50 0 BFAARN CCC[C@H](NC(C)=O)c1nc2ccccc2[nH]1 ZINC000096319363 169508288 /nfs/dbraw/zinc/50/82/88/169508288.db2.gz RWTBUDNOSHXENO-LBPRGKRZSA-N 0 0 231.299 2.540 50 0 BFAARN CCCc1cc(C(=O)Nc2ccc(F)cc2)n[nH]1 ZINC000029508164 169564791 /nfs/dbraw/zinc/56/47/91/169564791.db2.gz GKTSCSUAHQTROO-UHFFFAOYSA-N 0 0 247.273 2.754 50 0 BFAARN CCCn1c(SCC)nc2ccccc2c1=O ZINC000061422257 169614807 /nfs/dbraw/zinc/61/48/07/169614807.db2.gz FMLHJMPYHHGICM-UHFFFAOYSA-N 0 0 248.351 2.919 50 0 BFAARN CC(C)(C)SCCNC(=O)c1ccccc1 ZINC000002986612 166690289 /nfs/dbraw/zinc/69/02/89/166690289.db2.gz VNVDPAPNZKLPEU-UHFFFAOYSA-N 0 0 237.368 2.948 50 0 BFAARN CC(C)(C)N1C[C@@H](COc2ccccc2)OC1=O ZINC000000050035 383819096 /nfs/dbraw/zinc/81/90/96/383819096.db2.gz KXKQKMIBWVMCKO-LBPRGKRZSA-N 0 0 249.310 2.685 50 0 BFAARN O=C1N[C@H](c2ccccc2)[C@@H](c2ccccc2)N1 ZINC000000061497 383820684 /nfs/dbraw/zinc/82/06/84/383820684.db2.gz MLAJDFOBMYBISF-ZIAGYGMSSA-N 0 0 238.290 2.782 50 0 BFAARN CC(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000000084031 383823774 /nfs/dbraw/zinc/82/37/74/383823774.db2.gz PRFIVCWVSORYRV-UHFFFAOYSA-N 0 0 242.322 2.894 50 0 BFAARN O=C(Nc1nnc(C2CC2)s1)c1ccccc1 ZINC000000154810 383837053 /nfs/dbraw/zinc/83/70/53/383837053.db2.gz OEPZYXYBQGESTK-UHFFFAOYSA-N 0 0 245.307 2.668 50 0 BFAARN C/C=C\CSCC(=O)N[C@@H](C)c1ccco1 ZINC000098055812 383842223 /nfs/dbraw/zinc/84/22/23/383842223.db2.gz UKNPALACWZRMNG-XOULXFPDSA-N 0 0 239.340 2.766 50 0 BFAARN CC(=O)c1ccc2c3c(ccc(N)c31)CC2 ZINC000000189706 383842927 /nfs/dbraw/zinc/84/29/27/383842927.db2.gz DDYLMTWTJIVUDQ-UHFFFAOYSA-N 0 0 211.264 2.723 50 0 BFAARN CC(=O)N[C@H](C)c1nc2ccccc2n1C(C)C ZINC000000200811 383843018 /nfs/dbraw/zinc/84/30/18/383843018.db2.gz IBICGDODLANBBT-SNVBAGLBSA-N 0 0 245.326 2.814 50 0 BFAARN c1ccc(CNc2cccc3nonc32)cc1 ZINC000000194991 383843024 /nfs/dbraw/zinc/84/30/24/383843024.db2.gz OXSNVBUGHVTJDV-UHFFFAOYSA-N 0 0 225.251 2.835 50 0 BFAARN Cc1c2cc[nH]c2ncc1C(F)(F)F ZINC000066054335 383844986 /nfs/dbraw/zinc/84/49/86/383844986.db2.gz BNRHXVANPMHJQB-UHFFFAOYSA-N 0 0 200.163 2.890 50 0 BFAARN C[C@H]1SC2(OC1=O)C1CC3CC(C1)CC2C3 ZINC000000264355 383846869 /nfs/dbraw/zinc/84/68/69/383846869.db2.gz PYQRVDCYNOYRCX-GWEYIZNRSA-N 0 0 238.352 2.817 50 0 BFAARN C/C=C(\C)C(=O)NCc1ccc(C)cc1 ZINC000098056350 383848347 /nfs/dbraw/zinc/84/83/47/383848347.db2.gz QGFVAPUTEFBIPL-NYYWCZLTSA-N 0 0 203.285 2.577 50 0 BFAARN COC(=O)c1cc(-c2ccc(Cl)cc2)no1 ZINC000000266314 383848679 /nfs/dbraw/zinc/84/86/79/383848679.db2.gz MWTYUSPVRACXJH-UHFFFAOYSA-N 0 0 237.642 2.782 50 0 BFAARN CC(=O)SC[C@H](C)C(=O)Nc1ccccc1 ZINC000000281158 383850172 /nfs/dbraw/zinc/85/01/72/383850172.db2.gz POOHUDYDBYYUQO-VIFPVBQESA-N 0 0 237.324 2.541 50 0 BFAARN CC(=O)NC1(c2cccc(C)c2)CCCC1 ZINC000066511712 383867385 /nfs/dbraw/zinc/86/73/85/383867385.db2.gz RIDMNGKLHHRYMH-UHFFFAOYSA-N 0 0 217.312 2.900 50 0 BFAARN Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2)o1 ZINC000000442971 383869223 /nfs/dbraw/zinc/86/92/23/383869223.db2.gz ZQUBOCZUGQXZLH-UHFFFAOYSA-N 0 0 244.294 2.906 50 0 BFAARN CC(C)(C)c1nc(-c2ccc(N)cc2)no1 ZINC000035696797 383870704 /nfs/dbraw/zinc/87/07/04/383870704.db2.gz YZTPLJDEDDWRFY-UHFFFAOYSA-N 0 0 217.272 2.616 50 0 BFAARN Cc1ccc(CCS(=O)(=O)CC(C)C)cc1 ZINC000131834140 383870904 /nfs/dbraw/zinc/87/09/04/383870904.db2.gz PSGXUDQDDVHIHL-UHFFFAOYSA-N 0 0 240.368 2.608 50 0 BFAARN CC(=O)c1cccc(NC(=O)C2CCC2)c1 ZINC000000476190 383872903 /nfs/dbraw/zinc/87/29/03/383872903.db2.gz SPQHZEZUSOSXDB-UHFFFAOYSA-N 0 0 217.268 2.628 50 0 BFAARN CC(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000000568692 383874833 /nfs/dbraw/zinc/87/48/33/383874833.db2.gz BCQXILHHRAEBLY-UHFFFAOYSA-N 0 0 226.688 2.908 50 0 in-vitro BFAARN Cc1ccc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000000611599 383877651 /nfs/dbraw/zinc/87/76/51/383877651.db2.gz DFDNXZXUIMJVLF-VXGBXAGGSA-N 0 0 249.379 2.780 50 0 BFAARN COc1ncnc2sc3c(c21)CCCC3 ZINC000000116423 383830001 /nfs/dbraw/zinc/83/00/01/383830001.db2.gz APMNRWQWJSNFBB-UHFFFAOYSA-N 0 0 220.297 2.579 50 0 BFAARN COc1cccc(NC(=O)C=C(C)C)c1 ZINC000000145615 383833647 /nfs/dbraw/zinc/83/36/47/383833647.db2.gz GRNLIAGNBVVIMV-UHFFFAOYSA-N 0 0 205.257 2.600 50 0 BFAARN CC(C)CCC(=O)OC[C@@H]1CCCCO1 ZINC000098070518 383908694 /nfs/dbraw/zinc/90/86/94/383908694.db2.gz GKTQUKHQVATAJN-NSHDSACASA-N 0 0 214.305 2.535 50 0 BFAARN COC(=O)c1cc(F)cc(Br)c1C ZINC000089064168 383930470 /nfs/dbraw/zinc/93/04/70/383930470.db2.gz SHONDVRWLQICAZ-UHFFFAOYSA-N 0 0 247.063 2.683 50 0 BFAARN C[C@@H]1Cn2c(CCc3ccccc3)nnc2S1 ZINC000001059236 383888026 /nfs/dbraw/zinc/88/80/26/383888026.db2.gz YVVIWFGQNRUPFH-SNVBAGLBSA-N 0 0 245.351 2.558 50 0 BFAARN CC[C@@H](C(=O)O[C@@H]1CCOC1)c1ccccc1 ZINC000071883882 383891484 /nfs/dbraw/zinc/89/14/84/383891484.db2.gz LPUSOKKFKZYVIZ-CHWSQXEVSA-N 0 0 234.295 2.512 50 0 BFAARN COC(=O)c1cccc(-c2ccccc2N)c1 ZINC000001259168 383891509 /nfs/dbraw/zinc/89/15/09/383891509.db2.gz NCMXOIMDAQPPLW-UHFFFAOYSA-N 0 0 227.263 2.722 50 0 BFAARN CCC[C@@]1(CC)NC(=S)N(c2ccccc2)N1 ZINC000001245543 383891688 /nfs/dbraw/zinc/89/16/88/383891688.db2.gz SUEZLMVGAMLNQK-ZDUSSCGKSA-N 0 0 249.383 2.792 50 0 BFAARN CC(=O)Cc1ncc(C(F)(F)F)cc1Cl ZINC000001405304 383896301 /nfs/dbraw/zinc/89/63/01/383896301.db2.gz XREGOVGEGARKIK-UHFFFAOYSA-N 0 0 237.608 2.885 50 0 BFAARN COC(=O)c1ccc(-c2ccc(O)cc2)cc1 ZINC000001405399 383896768 /nfs/dbraw/zinc/89/67/68/383896768.db2.gz PHBQSOODLMGROT-UHFFFAOYSA-N 0 0 228.247 2.846 50 0 BFAARN Cc1ccc(OC[C@H](C)NC(=O)C(C)C)cc1 ZINC000067086384 383905881 /nfs/dbraw/zinc/90/58/81/383905881.db2.gz BMIRQWDSQNGKMY-LBPRGKRZSA-N 0 0 235.327 2.535 50 0 BFAARN Nc1nn(Cc2ccc(Cl)cc2)cc1Cl ZINC000002578494 383978868 /nfs/dbraw/zinc/97/88/68/383978868.db2.gz ZFZPHVSIYOKUAK-UHFFFAOYSA-N 0 0 242.109 2.820 50 0 BFAARN Cc1ccc(C(=O)NCCc2ccccc2)o1 ZINC000000249632 383983253 /nfs/dbraw/zinc/98/32/53/383983253.db2.gz JJKWOSMLEYFTGO-UHFFFAOYSA-N 0 0 229.279 2.561 50 0 BFAARN Cc1ccc2c(c1)OCCN2C(=O)C1CCC1 ZINC000089657427 383984260 /nfs/dbraw/zinc/98/42/60/383984260.db2.gz NCBNDCQWLFWOGQ-UHFFFAOYSA-N 0 0 231.295 2.521 50 0 BFAARN Cc1ccc(C(=O)NCCCc2ccccc2)o1 ZINC000002774132 383985783 /nfs/dbraw/zinc/98/57/83/383985783.db2.gz IQHDDSRIDSVHCR-UHFFFAOYSA-N 0 0 243.306 2.951 50 0 BFAARN C[C@@H]1[C@@H](C)C1(Br)Br ZINC000003051604 383996360 /nfs/dbraw/zinc/99/63/60/383996360.db2.gz LHYCCVIMMLLDLH-QWWZWVQMSA-N 0 0 227.927 2.758 50 0 BFAARN CCCCOCCCNC(=O)C1CCCCC1 ZINC000002992132 383996929 /nfs/dbraw/zinc/99/69/29/383996929.db2.gz CJDXVDOGULUZQE-UHFFFAOYSA-N 0 0 241.375 2.890 50 0 BFAARN CC1(C)C(C(=O)N2CCCCC2)C1(C)C ZINC000003092790 383997263 /nfs/dbraw/zinc/99/72/63/383997263.db2.gz SBSJWKJHOPXTPL-UHFFFAOYSA-N 0 0 209.333 2.681 50 0 BFAARN CC(=O)c1ccc(-c2ccc(C(C)=O)o2)o1 ZINC000002519621 384002998 /nfs/dbraw/zinc/00/29/98/384002998.db2.gz QJAVNNPYOVUAIL-UHFFFAOYSA-N 0 0 218.208 2.945 50 0 BFAARN CCC/C=C/c1cc(C(=O)NC2CC2)ccn1 ZINC000067673241 383936334 /nfs/dbraw/zinc/93/63/34/383936334.db2.gz VJVLDFKTOQJQTD-SNAWJCMRSA-N 0 0 230.311 2.787 50 0 BFAARN COC(=O)c1ccc2[nH]c(-c3ccoc3)nc2c1 ZINC000067695900 383939464 /nfs/dbraw/zinc/93/94/64/383939464.db2.gz GTNICGMCPHWWDQ-UHFFFAOYSA-N 0 0 242.234 2.610 50 0 BFAARN CCCC[C@@H](CC)C(=O)NCc1ccccn1 ZINC000002064683 383949504 /nfs/dbraw/zinc/94/95/04/383949504.db2.gz GRVLXKVQWBUDNK-GFCCVEGCSA-N 0 0 234.343 2.914 50 0 BFAARN CCCCOC(=O)c1ccccc1NC(C)=O ZINC000002079060 383949978 /nfs/dbraw/zinc/94/99/78/383949978.db2.gz PLYLRMGCCAJWFI-UHFFFAOYSA-N 0 0 235.283 2.602 50 0 BFAARN O=CO[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000002519693 383970002 /nfs/dbraw/zinc/97/00/02/383970002.db2.gz HURLSXQWWGXAIY-HNNXBMFYSA-N 0 0 240.258 2.784 50 0 BFAARN COC(=O)c1ccccc1-c1ccco1 ZINC000002525672 383971855 /nfs/dbraw/zinc/97/18/55/383971855.db2.gz WQAMGCYGCDNQDW-UHFFFAOYSA-N 0 0 202.209 2.733 50 0 BFAARN Cc1c(Br)c(C(F)(F)F)nn1C ZINC000002540149 383973718 /nfs/dbraw/zinc/97/37/18/383973718.db2.gz IFCNTZRBBLIUMD-UHFFFAOYSA-N 0 0 243.026 2.510 50 0 in-vitro BFAARN CC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000002561206 383976581 /nfs/dbraw/zinc/97/65/81/383976581.db2.gz JLPKZJDZXIKSCP-UHFFFAOYSA-N 0 0 204.056 2.778 50 0 in-vitro BFAARN Cc1cc(C)cc(C(=O)c2ccccn2)c1 ZINC000037745989 384006866 /nfs/dbraw/zinc/00/68/66/384006866.db2.gz MINQHLNZZSZGRP-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN Cc1nc2cc(C)ccn2c1-c1csc(N)n1 ZINC000004244112 384050289 /nfs/dbraw/zinc/05/02/89/384050289.db2.gz ZRCXPWKXMLMHEI-UHFFFAOYSA-N 0 0 244.323 2.657 50 0 BFAARN CCc1ccc2cc(C(=O)OC)[nH]c2c1 ZINC000004235043 384050773 /nfs/dbraw/zinc/05/07/73/384050773.db2.gz YATMXAJZDDOCOS-UHFFFAOYSA-N 0 0 203.241 2.517 50 0 BFAARN Cc1cc2occ(CC(=O)N(C)C)c2c(C)c1 ZINC000004810787 384084177 /nfs/dbraw/zinc/08/41/77/384084177.db2.gz VPDAFQFYDJNWHQ-UHFFFAOYSA-N 0 0 231.295 2.680 50 0 BFAARN COC(=O)c1c(C)nc(-c2ccccc2)nc1C ZINC000090513151 384057896 /nfs/dbraw/zinc/05/78/96/384057896.db2.gz BIVNWBNIJKRQDC-UHFFFAOYSA-N 0 0 242.278 2.547 50 0 BFAARN C[S@](=O)c1sc(Cl)c2c1C(=O)CCC2 ZINC000004351322 384059411 /nfs/dbraw/zinc/05/94/11/384059411.db2.gz PGSSJIDFZJTWLZ-CQSZACIVSA-N 0 0 248.756 2.658 50 0 BFAARN C[S@@](=O)c1scc2c1C(=O)CC(C)(C)C2 ZINC000004350289 384059548 /nfs/dbraw/zinc/05/95/48/384059548.db2.gz LBCVKVVVAUJYPO-HNNXBMFYSA-N 0 0 242.365 2.641 50 0 BFAARN OCc1c(OC(F)F)ccc2ccccc21 ZINC000035119719 384064306 /nfs/dbraw/zinc/06/43/06/384064306.db2.gz QKKFOIJXDDMAIM-UHFFFAOYSA-N 0 0 224.206 2.934 50 0 BFAARN CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000004529975 384067407 /nfs/dbraw/zinc/06/74/07/384067407.db2.gz HDEIBESKFFIEPU-WSWXSABCSA-N 0 0 221.344 2.727 50 0 BFAARN CC(=O)c1c(C)nc2cc3c(cc2c1C)OCO3 ZINC000057524748 384099301 /nfs/dbraw/zinc/09/93/01/384099301.db2.gz ZULIKLRQHLAFIL-UHFFFAOYSA-N 0 0 243.262 2.783 50 0 BFAARN CC1(C)CC(=O)c2c(O)c3ccccc3nc2C1 ZINC000005190965 384105537 /nfs/dbraw/zinc/10/55/37/384105537.db2.gz FHKFWVXEAITYEN-UHFFFAOYSA-N 0 0 241.290 2.683 50 0 BFAARN C/C(=C\C(=O)N(C)c1ccccc1)N1CCCC1 ZINC000005287517 384108580 /nfs/dbraw/zinc/10/85/80/384108580.db2.gz WCGIKOFGLVCRSH-OUKQBFOZSA-N 0 0 244.338 2.649 50 0 BFAARN Cc1n[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000005322393 384109611 /nfs/dbraw/zinc/10/96/11/384109611.db2.gz YZTNVMBGBSOLFL-NSHDSACASA-N 0 0 226.279 2.631 50 0 BFAARN COc1cc(C=O)c(F)c(C(F)(F)F)c1 ZINC000091252078 384112841 /nfs/dbraw/zinc/11/28/41/384112841.db2.gz YHTRIRREEHYBRI-UHFFFAOYSA-N 0 0 222.137 2.666 50 0 BFAARN COCc1cccc(NC(=O)C(C)(C)C)c1 ZINC000070251187 384094079 /nfs/dbraw/zinc/09/40/79/384094079.db2.gz ZHGJRFCZDQINGX-UHFFFAOYSA-N 0 0 221.300 2.818 50 0 BFAARN CC(=O)c1ccccc1NC(=O)c1ccccn1 ZINC000005495839 384119496 /nfs/dbraw/zinc/11/94/96/384119496.db2.gz QXFJSNVYMDYTAU-UHFFFAOYSA-N 0 0 240.262 2.537 50 0 BFAARN Nc1cc(CC23CC4CC(CC(C4)C2)C3)ncn1 ZINC000091452394 384125583 /nfs/dbraw/zinc/12/55/83/384125583.db2.gz XNIWFOYXRMQUDM-UHFFFAOYSA-N 0 0 243.354 2.818 50 0 BFAARN Cc1cc(Cl)ccc1NC(=O)C1CC1 ZINC000006215301 384147725 /nfs/dbraw/zinc/14/77/25/384147725.db2.gz CNSBBPFBLSPCLM-UHFFFAOYSA-N 0 0 209.676 2.997 50 0 BFAARN O=Cc1cn(Cc2ccccc2)c2ncccc12 ZINC000040442632 384151318 /nfs/dbraw/zinc/15/13/18/384151318.db2.gz NDDGBIJCCYTIJA-UHFFFAOYSA-N 0 0 236.274 2.897 50 0 BFAARN c1ccc2c(c1)oc1c2ncnc1NC1CC1 ZINC000040456207 384154627 /nfs/dbraw/zinc/15/46/27/384154627.db2.gz QMOXZEMZMWROBM-UHFFFAOYSA-N 0 0 225.251 2.950 50 0 BFAARN O=Cc1ccc(F)c(C(F)(F)F)c1F ZINC000040571359 384158282 /nfs/dbraw/zinc/15/82/82/384158282.db2.gz IVVUVBIECSBSQR-UHFFFAOYSA-N 0 0 210.101 2.796 50 0 BFAARN COc1ccc(C(=O)c2ccco2)cc1OC ZINC000000365883 384140188 /nfs/dbraw/zinc/14/01/88/384140188.db2.gz FZJQJHJSIZVERE-UHFFFAOYSA-N 0 0 232.235 2.528 50 0 BFAARN Clc1cncc2c(Br)ccn21 ZINC000091693039 384141015 /nfs/dbraw/zinc/14/10/15/384141015.db2.gz UNFVIJDILRAKFO-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN CC[C@H](NCC(F)(F)F)c1c(C)nn(C)c1C ZINC000097374412 384177941 /nfs/dbraw/zinc/17/79/41/384177941.db2.gz CFVUZRBKFCJLDE-VIFPVBQESA-N 0 0 249.280 2.640 50 0 BFAARN CC1(C)COC(c2ccc3ccccc3n2)=N1 ZINC000071773531 384178432 /nfs/dbraw/zinc/17/84/32/384178432.db2.gz QCVNRITUPLGEMZ-UHFFFAOYSA-N 0 0 226.279 2.790 50 0 BFAARN O=Cc1cccc(Br)c1Cl ZINC000071792960 384180012 /nfs/dbraw/zinc/18/00/12/384180012.db2.gz ZDICHAGDCMMAKV-UHFFFAOYSA-N 0 0 219.465 2.915 50 0 BFAARN Cc1ccc(C)c(Nc2ncnc3nc[nH]c32)c1 ZINC000002719599 384182312 /nfs/dbraw/zinc/18/23/12/384182312.db2.gz ZUVJVTUTNSBUKC-UHFFFAOYSA-N 0 0 239.282 2.713 50 0 BFAARN CCOc1cc(C(=O)OC)cc2occc21 ZINC000072228352 384202371 /nfs/dbraw/zinc/20/23/71/384202371.db2.gz TYAYPTAXRIVISM-UHFFFAOYSA-N 0 0 220.224 2.618 50 0 BFAARN CCCCNC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000008499275 384204107 /nfs/dbraw/zinc/20/41/07/384204107.db2.gz PHBJIDOHYFLXOL-GFCCVEGCSA-N 0 0 235.327 2.679 50 0 BFAARN CO[C@H]1CCCC[C@H]1OC(=O)C1CCCC1 ZINC000097404919 384204853 /nfs/dbraw/zinc/20/48/53/384204853.db2.gz RMNIRHDUCYXNFX-NWDGAFQWSA-N 0 0 226.316 2.677 50 0 BFAARN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)o1 ZINC000002772586 384187743 /nfs/dbraw/zinc/18/77/43/384187743.db2.gz TWUALTHVBQUTBA-GXSJLCMTSA-N 0 0 221.300 2.897 50 0 BFAARN CC(=O)c1nc2ccccc2n1C(F)F ZINC000007986268 384189461 /nfs/dbraw/zinc/18/94/61/384189461.db2.gz WAXPXZUCEYGWHK-UHFFFAOYSA-N 0 0 210.183 2.634 50 0 BFAARN CC(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000041531524 384191653 /nfs/dbraw/zinc/19/16/53/384191653.db2.gz NJHWBWIMPRPFRZ-UHFFFAOYSA-N 0 0 237.730 2.898 50 0 BFAARN Cc1ccn2cc(CNc3ccccn3)nc2c1 ZINC000048706807 384192236 /nfs/dbraw/zinc/19/22/36/384192236.db2.gz ZVAJFCVRLSWOAK-UHFFFAOYSA-N 0 0 238.294 2.650 50 0 BFAARN Cc1c(CO)[nH]c2ccc(OC(C)C)cc12 ZINC000096029647 384196633 /nfs/dbraw/zinc/19/66/33/384196633.db2.gz RTAZMLWOYARQAI-UHFFFAOYSA-N 0 0 219.284 2.756 50 0 BFAARN c1nc(CN2CCC[C@H]2c2ccccn2)cs1 ZINC000072170435 384198215 /nfs/dbraw/zinc/19/82/15/384198215.db2.gz SUKCDYLHSPUPDR-ZDUSSCGKSA-N 0 0 245.351 2.875 50 0 BFAARN COC(=O)c1cc(C)cc(Br)c1 ZINC000042689584 384236315 /nfs/dbraw/zinc/23/63/15/384236315.db2.gz OAOZBFUAVJUPED-UHFFFAOYSA-N 0 0 229.073 2.544 50 0 BFAARN c1ccc(CNc2ncnc3ccccc32)nc1 ZINC000032540766 384238292 /nfs/dbraw/zinc/23/82/92/384238292.db2.gz KEMVPFKOKKEHKV-UHFFFAOYSA-N 0 0 236.278 2.637 50 0 BFAARN S=C1N=NC(c2ccc3ccccc3c2)N1 ZINC000009286966 384239449 /nfs/dbraw/zinc/23/94/49/384239449.db2.gz ANQJCAZCYVDYCW-UHFFFAOYSA-N 0 0 227.292 2.914 50 0 BFAARN CC(C)(C)OC(=O)n1ncc2cc(C=O)ccc21 ZINC000008700341 384209135 /nfs/dbraw/zinc/20/91/35/384209135.db2.gz OXWGPXBJKZYTIF-UHFFFAOYSA-N 0 0 246.266 2.632 50 0 BFAARN FC(F)(F)c1cncc(Br)c1 ZINC000008700996 384209452 /nfs/dbraw/zinc/20/94/52/384209452.db2.gz HEDHNDVPKRVQPN-UHFFFAOYSA-N 0 0 225.995 2.863 50 0 BFAARN FC(F)(F)c1cc(-c2ccco2)n[nH]1 ZINC000008700517 384209853 /nfs/dbraw/zinc/20/98/53/384209853.db2.gz WLHBEPWHYFFYHR-UHFFFAOYSA-N 0 0 202.135 2.689 50 0 BFAARN O=Cc1cccc(OCCOc2ccccc2)c1 ZINC000008726737 384212100 /nfs/dbraw/zinc/21/21/00/384212100.db2.gz LXJJIJFQPTYTHB-UHFFFAOYSA-N 0 0 242.274 2.957 50 0 BFAARN c1cc2cccn(Cc3ccccc3)c-2n1 ZINC000008873521 384223689 /nfs/dbraw/zinc/22/36/89/384223689.db2.gz IKPKXUZETXIJKI-UHFFFAOYSA-O 0 0 209.272 2.504 50 0 BFAARN Cc1n[nH]c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000008914959 384227959 /nfs/dbraw/zinc/22/79/59/384227959.db2.gz OQEWXPSTMAAWSP-JTQLQIEISA-N 0 0 244.269 2.770 50 0 BFAARN CCN(CC)c1cc(C)c(Br)cn1 ZINC000042783483 384244127 /nfs/dbraw/zinc/24/41/27/384244127.db2.gz IUJWJSUVRGEWKX-UHFFFAOYSA-N 0 0 243.148 2.999 50 0 BFAARN O=Cc1ccc(OCC2CC2)c(Cl)c1 ZINC000042784089 384245313 /nfs/dbraw/zinc/24/53/13/384245313.db2.gz OLQNGTYJJIQJRJ-UHFFFAOYSA-N 0 0 210.660 2.941 50 0 BFAARN C[C@@H]1OCC[C@H]1Nc1cccc2ccn(C)c21 ZINC000188778800 384248883 /nfs/dbraw/zinc/24/88/83/384248883.db2.gz DNJJKGRELOJJTQ-CMPLNLGQSA-N 0 0 230.311 2.768 50 0 BFAARN Cc1c[nH]cc1C(=O)NCCC[Si](C)(C)C ZINC000408519460 384277445 /nfs/dbraw/zinc/27/74/45/384277445.db2.gz RTAZRDSWMCFRRF-UHFFFAOYSA-N 0 0 238.407 2.781 50 0 BFAARN CCC[C@H](C)NC(=O)Cc1ccccc1 ZINC000000030352 384272240 /nfs/dbraw/zinc/27/22/40/384272240.db2.gz USEXPDQDHPXYDI-NSHDSACASA-N 0 0 205.301 2.534 50 0 BFAARN Cc1nnc(CN[C@@H](c2ccccc2)C(C)C)o1 ZINC000096982331 384272326 /nfs/dbraw/zinc/27/23/26/384272326.db2.gz CINWEJKOQXNDNP-CQSZACIVSA-N 0 0 245.326 2.865 50 0 BFAARN O=C(Nc1nccs1)c1ccc(F)cc1 ZINC000017730058 384306901 /nfs/dbraw/zinc/30/69/01/384306901.db2.gz GLKZLHORRCXWPN-UHFFFAOYSA-N 0 0 222.244 2.535 50 0 BFAARN CC(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000074878739 384308678 /nfs/dbraw/zinc/30/86/78/384308678.db2.gz YGOYDEBWIQZSHX-MRVPVSSYSA-N 0 0 207.298 2.534 50 0 BFAARN CC(C)C[NH2+][C@@H](C(=O)[O-])c1c[nH]c2ccccc21 ZINC000012322438 384311528 /nfs/dbraw/zinc/31/15/28/384311528.db2.gz GZJPKAROFVPEOU-CYBMUJFWSA-N 0 0 246.310 2.539 50 0 BFAARN CC(C)(C)n1ncc(-c2ccccc2)c1N ZINC000012381792 384316009 /nfs/dbraw/zinc/31/60/09/384316009.db2.gz KVEBAUKFSAFDEN-UHFFFAOYSA-N 0 0 215.300 2.887 50 0 BFAARN Cc1nsc(NCc2ccccc2F)n1 ZINC000083647921 384316603 /nfs/dbraw/zinc/31/66/03/384316603.db2.gz VRPSJYWKYUEBGG-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN CCC[C@H](C)NC(=O)c1cccc(C)c1 ZINC000000383587 384317934 /nfs/dbraw/zinc/31/79/34/384317934.db2.gz MGMMFUGQJMNMKH-NSHDSACASA-N 0 0 205.301 2.913 50 0 BFAARN CC1CCN(c2n[nH]c(=S)n2C2CC2)CC1 ZINC000012505178 384322821 /nfs/dbraw/zinc/32/28/21/384322821.db2.gz GJRSBHMBPMQTFZ-UHFFFAOYSA-N 0 0 238.360 2.512 50 0 BFAARN C[C@]12CCCC[C@H]1c1ccccc1C(=O)N2 ZINC000000093594 384319804 /nfs/dbraw/zinc/31/98/04/384319804.db2.gz OILHGVNUGYSDRQ-JSGCOSHPSA-N 0 0 215.296 2.846 50 0 BFAARN CC(C)(C)c1csc(-c2nnsc2N)n1 ZINC000408524318 384290079 /nfs/dbraw/zinc/29/00/79/384290079.db2.gz SEWCDGRHNUTHAS-UHFFFAOYSA-N 0 0 240.357 2.541 50 0 BFAARN Fc1ccc(CNc2nncs2)c(Cl)c1 ZINC000083372072 384292054 /nfs/dbraw/zinc/29/20/54/384292054.db2.gz VUHCTEPEYVBZAF-UHFFFAOYSA-N 0 0 243.694 2.943 50 0 BFAARN CC(C)(C)c1cc(NCc2ccccn2)no1 ZINC000097045356 384303287 /nfs/dbraw/zinc/30/32/87/384303287.db2.gz BAZGKDPZWBFORA-UHFFFAOYSA-N 0 0 231.299 2.979 50 0 BFAARN Cc1ccc(F)c(CNc2nncs2)c1 ZINC000097045237 384303654 /nfs/dbraw/zinc/30/36/54/384303654.db2.gz NMHGDAHTAKSRDE-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN CC(C)n1cc(N[C@H](C)C2CCOCC2)cn1 ZINC000097045682 384303840 /nfs/dbraw/zinc/30/38/40/384303840.db2.gz NIVOWPZGCHUMOX-LLVKDONJSA-N 0 0 237.347 2.691 50 0 BFAARN O=C(NCc1cccc(Cl)c1)NCC1CC1 ZINC000012971383 384344213 /nfs/dbraw/zinc/34/42/13/384344213.db2.gz KDNBAEBSHAPIBJ-UHFFFAOYSA-N 0 0 238.718 2.549 50 0 BFAARN COC(=O)c1cc(Cl)cc(Cl)c1F ZINC000075914924 384347210 /nfs/dbraw/zinc/34/72/10/384347210.db2.gz XNZBOSWQYVTGLM-UHFFFAOYSA-N 0 0 223.030 2.919 50 0 BFAARN CC[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000013328181 384355417 /nfs/dbraw/zinc/35/54/17/384355417.db2.gz BTNVBFONMFJOEG-KGLIPLIRSA-N 0 0 247.338 2.741 50 0 BFAARN CCc1cccc2c3n[nH]c(=S)nc3[nH]c21 ZINC000084020732 384356010 /nfs/dbraw/zinc/35/60/10/384356010.db2.gz JVJDPUKVAUFHGD-UHFFFAOYSA-N 0 0 230.296 2.731 50 0 BFAARN Cc1ccoc1CNc1nc(C(C)C)no1 ZINC000134444043 384358271 /nfs/dbraw/zinc/35/82/71/384358271.db2.gz ZWWWNISJTFIAQX-UHFFFAOYSA-N 0 0 221.260 2.707 50 0 BFAARN CC(=O)N1CCC[C@H]1c1cccc(C)c1C ZINC000095401332 384374274 /nfs/dbraw/zinc/37/42/74/384374274.db2.gz VONYLSRDYWMGDN-AWEZNQCLSA-N 0 0 217.312 2.987 50 0 BFAARN CCC[C@@H]1SCCN1C(=O)C1CC=CC1 ZINC000095400190 384374396 /nfs/dbraw/zinc/37/43/96/384374396.db2.gz UPKYSJHYKBDBAQ-NSHDSACASA-N 0 0 225.357 2.654 50 0 BFAARN Cc1ccc(C)c(O[C@H](C)C(=O)NC(C)C)c1 ZINC000013710102 384367632 /nfs/dbraw/zinc/36/76/32/384367632.db2.gz UYGXALZTCJUDEO-GFCCVEGCSA-N 0 0 235.327 2.595 50 0 BFAARN O=C1CC2(CCCC2)C(=O)N1c1ccccc1 ZINC000095215912 384367989 /nfs/dbraw/zinc/36/79/89/384367989.db2.gz RWTGTSYAWVDYBT-UHFFFAOYSA-N 0 0 229.279 2.510 50 0 BFAARN Cc1ccc(CN(C)[C@@H](C)c2cccnc2)nc1 ZINC000097113715 384369479 /nfs/dbraw/zinc/36/94/79/384369479.db2.gz LWAQGPOLFQCEEX-ZDUSSCGKSA-N 0 0 241.338 2.978 50 0 BFAARN Cc1cnc(N[C@@H](C)c2ncccc2C)nc1 ZINC000095376929 384370757 /nfs/dbraw/zinc/37/07/57/384370757.db2.gz WGQKVSUTPYOVIL-NSHDSACASA-N 0 0 228.299 2.662 50 0 BFAARN Cc1cc(C(=O)c2cc(F)ccc2F)ccn1 ZINC000045038582 384371948 /nfs/dbraw/zinc/37/19/48/384371948.db2.gz DKMFCOUZMLFJTB-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CCCc1nnc(NCc2cc(C)nc(C)c2)o1 ZINC000095373260 384372071 /nfs/dbraw/zinc/37/20/71/384372071.db2.gz NAXRUDREVJAZHE-UHFFFAOYSA-N 0 0 246.314 2.646 50 0 BFAARN Cc1cc(C(=O)c2ccccc2F)ccn1 ZINC000045038451 384372602 /nfs/dbraw/zinc/37/26/02/384372602.db2.gz AKXCSSVAQGIIFJ-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN Cc1cc(C(=O)c2cccc(F)c2)ccn1 ZINC000045038455 384372885 /nfs/dbraw/zinc/37/28/85/384372885.db2.gz SCJLEGFVIRTXOZ-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN O=C1SC(=O)c2cc3ccccc3cc21 ZINC000000401301 384324842 /nfs/dbraw/zinc/32/48/42/384324842.db2.gz AFRAAXZVWMNXGP-UHFFFAOYSA-N 0 0 214.245 2.867 50 0 BFAARN Cc1csc(CCNc2ncnc(C)c2C)n1 ZINC000095371614 384373030 /nfs/dbraw/zinc/37/30/30/384373030.db2.gz TYADOGAFZLJTPZ-UHFFFAOYSA-N 0 0 248.355 2.513 50 0 BFAARN CC(=O)c1cc(Br)cnc1Cl ZINC000012648931 384329017 /nfs/dbraw/zinc/32/90/17/384329017.db2.gz SQKOULMBBLJIKX-UHFFFAOYSA-N 0 0 234.480 2.700 50 0 BFAARN Cc1ccc([C@@H](O)CNc2cccc(C)n2)cc1 ZINC000097096659 384334122 /nfs/dbraw/zinc/33/41/22/384334122.db2.gz UEQYLHLOVYHIHN-AWEZNQCLSA-N 0 0 242.322 2.844 50 0 BFAARN Cc1cncc(Br)c1Cl ZINC000095763949 384395935 /nfs/dbraw/zinc/39/59/35/384395935.db2.gz LBZUNPHQQIYQGV-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN O=Cc1nc(C(F)(F)F)ccc1Cl ZINC000095761411 384396157 /nfs/dbraw/zinc/39/61/57/384396157.db2.gz SARHUZHQSTUDAM-UHFFFAOYSA-N 0 0 209.554 2.566 50 0 BFAARN COc1cc(N2CCC(C)CC2)ccc1N ZINC000077331222 384402892 /nfs/dbraw/zinc/40/28/92/384402892.db2.gz NMHMISAXBJWREF-UHFFFAOYSA-N 0 0 220.316 2.514 50 0 BFAARN CC1(C)COC2(C[C@H]3C=CC[C@@H]3C2)OC1 ZINC000095929135 384409707 /nfs/dbraw/zinc/40/97/07/384409707.db2.gz MFPZHVAUQQEPCD-GHMZBOCLSA-N 0 0 208.301 2.742 50 0 BFAARN CCNc1ccccc1C(=O)N[C@H](C)CC ZINC000045796171 384409820 /nfs/dbraw/zinc/40/98/20/384409820.db2.gz GGYXZFLUVSEYTR-SNVBAGLBSA-N 0 0 220.316 2.647 50 0 BFAARN Cc1cc(C)cc([C@@H](C)NC(=O)c2cocn2)c1 ZINC000095951196 384419917 /nfs/dbraw/zinc/41/99/17/384419917.db2.gz GDOKGTXFFVWCPU-LLVKDONJSA-N 0 0 244.294 2.782 50 0 BFAARN CCCCOC(=O)Cc1ccc(OC)cc1 ZINC000001615239 384421155 /nfs/dbraw/zinc/42/11/55/384421155.db2.gz DACRGZJKNATRGT-UHFFFAOYSA-N 0 0 222.284 2.581 50 0 BFAARN CC(=O)N(Cc1ccco1)c1cccc(F)c1 ZINC000066292600 384377579 /nfs/dbraw/zinc/37/75/79/384377579.db2.gz JCTWQTOZEPITKP-UHFFFAOYSA-N 0 0 233.242 2.972 50 0 BFAARN CSc1cccc(N(C)Cc2cc[nH]n2)c1 ZINC000097139352 384379589 /nfs/dbraw/zinc/37/95/89/384379589.db2.gz TZNMRPBXPZPTMW-UHFFFAOYSA-N 0 0 233.340 2.768 50 0 BFAARN c1ccc(CNc2ncnc3c2CCC3)cc1 ZINC000061276567 384379644 /nfs/dbraw/zinc/37/96/44/384379644.db2.gz YUGWCCMKBWATQT-UHFFFAOYSA-N 0 0 225.295 2.577 50 0 BFAARN CCCCNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000013957614 384382297 /nfs/dbraw/zinc/38/22/97/384382297.db2.gz SYYNCPQSQGEZHG-UHFFFAOYSA-N 0 0 234.274 2.837 50 0 BFAARN CSc1cc(C)cnc1Br ZINC000095616435 384382811 /nfs/dbraw/zinc/38/28/11/384382811.db2.gz HWQGIEJQMVDGEY-UHFFFAOYSA-N 0 0 218.119 2.874 50 0 BFAARN CC[C@]1(C)Oc2ccc(NC(C)=O)cc2O1 ZINC000135267842 384429108 /nfs/dbraw/zinc/42/91/08/384429108.db2.gz NDPMKSQIRQXRCF-GFCCVEGCSA-N 0 0 221.256 2.542 50 0 BFAARN C[C@H](O)c1ccc(F)c(C(F)(F)F)c1 ZINC000015442958 384430565 /nfs/dbraw/zinc/43/05/65/384430565.db2.gz VVMUNUHSORCOAL-YFKPBYRVSA-N 0 0 208.154 2.898 50 0 BFAARN CC(C)(C)CCc1nc([C@H]2CCOC2)no1 ZINC000096141403 384436523 /nfs/dbraw/zinc/43/65/23/384436523.db2.gz JSZYHQHFSOZTLE-VIFPVBQESA-N 0 0 224.304 2.552 50 0 BFAARN Cc1cc(-c2csc3ccccc23)c(=O)[nH]n1 ZINC000096133713 384436629 /nfs/dbraw/zinc/43/66/29/384436629.db2.gz WLDJRKXLHDOVOG-UHFFFAOYSA-N 0 0 242.303 2.960 50 0 BFAARN CCN(CC(F)(F)F)C(=O)[C@@H]1CC=CCC1 ZINC000097211557 384440605 /nfs/dbraw/zinc/44/06/05/384440605.db2.gz MSBCMSNNVOKINK-SECBINFHSA-N 0 0 235.249 2.754 50 0 BFAARN COC(=O)c1ccc(F)c(Cl)c1Cl ZINC000047202318 384443612 /nfs/dbraw/zinc/44/36/12/384443612.db2.gz YLMZQOBAGBAAEE-UHFFFAOYSA-N 0 0 223.030 2.919 50 0 BFAARN CCc1ccc(Nc2cc(C)ncn2)cc1N ZINC000011568596 384461581 /nfs/dbraw/zinc/46/15/81/384461581.db2.gz YODKDTGQAOATSZ-UHFFFAOYSA-N 0 0 228.299 2.673 50 0 BFAARN C[C@H](O)c1ccc(Br)cc1F ZINC000078803095 384467302 /nfs/dbraw/zinc/46/73/02/384467302.db2.gz MASZUNQDCHMJEP-YFKPBYRVSA-N 0 0 219.053 2.642 50 0 BFAARN Cc1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 ZINC000048090012 384478149 /nfs/dbraw/zinc/47/81/49/384478149.db2.gz AMFFTQLCYOBAGV-GFCCVEGCSA-N 0 0 235.327 2.535 50 0 BFAARN Cc1cc2c(c(C)c1)N(CCC(C)C)C(=O)C2=O ZINC000017010386 384479003 /nfs/dbraw/zinc/47/90/03/384479003.db2.gz LWKKIIACFFPZII-UHFFFAOYSA-N 0 0 245.322 2.879 50 0 BFAARN C[C@@H](O)c1ccc(Br)c(F)c1 ZINC000079112732 384486075 /nfs/dbraw/zinc/48/60/75/384486075.db2.gz JFJHYEIFGRXLFR-RXMQYKEDSA-N 0 0 219.053 2.642 50 0 BFAARN CC(C)(C)OC(=O)NC1=CC=NCC1=S ZINC000079052336 384482852 /nfs/dbraw/zinc/48/28/52/384482852.db2.gz MKRKOWOVJQNWSY-UHFFFAOYSA-N 0 0 226.301 2.717 50 0 BFAARN C[C@H](O)c1ccc(Br)c(F)c1 ZINC000079112731 384484387 /nfs/dbraw/zinc/48/43/87/384484387.db2.gz JFJHYEIFGRXLFR-YFKPBYRVSA-N 0 0 219.053 2.642 50 0 BFAARN Clc1ccn2cc(Br)nc2c1 ZINC000072482158 384498858 /nfs/dbraw/zinc/49/88/58/384498858.db2.gz DKPBAWAFMKICQR-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN C[C@H]1S[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000000205677 384512264 /nfs/dbraw/zinc/51/22/64/384512264.db2.gz ICYPBIOPOTZPGH-LDWIPMOCSA-N 0 0 227.716 2.590 50 0 BFAARN Cc1cc(-c2cc(C)cc(C)c2N)n[nH]1 ZINC000017744416 384493436 /nfs/dbraw/zinc/49/34/36/384493436.db2.gz PBEDLLCNBBRBHG-UHFFFAOYSA-N 0 0 201.273 2.584 50 0 BFAARN Cc1nc(-c2ccc(O)cc2O)cs1 ZINC000019702806 384534799 /nfs/dbraw/zinc/53/47/99/384534799.db2.gz NJUDUIZRMKGUMZ-UHFFFAOYSA-N 0 0 207.254 2.530 50 0 BFAARN CCCCCc1cc(O)cc(O)c1C=O ZINC000136878573 384512774 /nfs/dbraw/zinc/51/27/74/384512774.db2.gz FFMCYBHCUWCBLJ-UHFFFAOYSA-N 0 0 208.257 2.643 50 0 BFAARN CO[C@@H](C)c1cccc(-c2cc(CO)ccn2)c1 ZINC000097619641 384535940 /nfs/dbraw/zinc/53/59/40/384535940.db2.gz LBUJXCSWMZCOBB-NSHDSACASA-N 0 0 243.306 2.948 50 0 BFAARN C[C@@H]1S[C@H](c2ccc(Cl)cc2)NC1=O ZINC000000205672 384513651 /nfs/dbraw/zinc/51/36/51/384513651.db2.gz ICYPBIOPOTZPGH-QUBYGPBYSA-N 0 0 227.716 2.590 50 0 BFAARN O=C([O-])CC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000238160811 384519571 /nfs/dbraw/zinc/51/95/71/384519571.db2.gz PURSBKOHPOBOAJ-AWEZNQCLSA-N 0 0 247.338 2.558 50 0 BFAARN Nc1c2ccccc2ncc1C(F)(F)F ZINC000097757550 384553848 /nfs/dbraw/zinc/55/38/48/384553848.db2.gz FZRFXDGNVFQKER-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN COC(=O)c1cccc(-c2ccc(F)cc2F)n1 ZINC000097756693 384554833 /nfs/dbraw/zinc/55/48/33/384554833.db2.gz RSCIHSQFTBJZJM-UHFFFAOYSA-N 0 0 249.216 2.813 50 0 BFAARN CCc1ccc([C@@H]2SCC(=O)N2C2CC2)cc1 ZINC000019926914 384559738 /nfs/dbraw/zinc/55/97/38/384559738.db2.gz INJGEAVVYAVAGO-AWEZNQCLSA-N 0 0 247.363 2.985 50 0 BFAARN CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000019787758 384538566 /nfs/dbraw/zinc/53/85/66/384538566.db2.gz UWDPUPXJVAYDBR-NSHDSACASA-N 0 0 241.718 2.539 50 0 BFAARN Cc1ccn2nc(-c3ccccc3)cc2n1 ZINC000098042884 384586705 /nfs/dbraw/zinc/58/67/05/384586705.db2.gz NYULSDLMUCOZBB-UHFFFAOYSA-N 0 0 209.252 2.705 50 0 BFAARN CC(=O)c1ccc(OCc2cc(C)on2)cc1 ZINC000020253771 384605625 /nfs/dbraw/zinc/60/56/25/384605625.db2.gz BHJCUQQIUUPIGX-UHFFFAOYSA-N 0 0 231.251 2.765 50 0 BFAARN O=C1Nc2ccccc2[C@H]1Cc1ccccc1 ZINC000100002714 384607230 /nfs/dbraw/zinc/60/72/30/384607230.db2.gz SJEHQYIHAFTLMS-CYBMUJFWSA-N 0 0 223.275 2.965 50 0 BFAARN O=Cc1ccc2cc(Br)cnc2c1 ZINC000071864035 384615962 /nfs/dbraw/zinc/61/59/62/384615962.db2.gz ARXAJGOYRWLLNK-UHFFFAOYSA-N 0 0 236.068 2.810 50 0 BFAARN Nc1c(F)cccc1C(=O)OCc1ccccc1 ZINC000124150322 384619166 /nfs/dbraw/zinc/61/91/66/384619166.db2.gz YZBKLRPIFOJNRI-UHFFFAOYSA-N 0 0 245.253 2.765 50 0 BFAARN O=c1cc[nH]c2ccc(Br)cc12 ZINC000100248388 384627298 /nfs/dbraw/zinc/62/72/98/384627298.db2.gz ZLRZHWUEWCVYHG-UHFFFAOYSA-N 0 0 224.057 2.738 50 0 BFAARN FC(F)(F)c1ccc(NC[C@@H]2CCCO2)nc1 ZINC000020638730 384628145 /nfs/dbraw/zinc/62/81/45/384628145.db2.gz YUYLJMGMJXZHSV-VIFPVBQESA-N 0 0 246.232 2.691 50 0 BFAARN COC(=O)c1ccc(C)c(Br)c1C ZINC000098181562 384601871 /nfs/dbraw/zinc/60/18/71/384601871.db2.gz BDSPQXLUCOPAHB-UHFFFAOYSA-N 0 0 243.100 2.853 50 0 BFAARN CCCC(=O)c1c(NC(C)C)cc(C)oc1=O ZINC000100345898 384635653 /nfs/dbraw/zinc/63/56/53/384635653.db2.gz SMPZQRNDZKZJBV-UHFFFAOYSA-N 0 0 237.299 2.751 50 0 BFAARN COC(=O)c1nc(Cl)ccc1C(F)(F)F ZINC000082049880 384644956 /nfs/dbraw/zinc/64/49/56/384644956.db2.gz UWHUOSHQHVKPQY-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN COC(=O)c1cccc2sc(Cl)nc21 ZINC000082046467 384645004 /nfs/dbraw/zinc/64/50/04/384645004.db2.gz WGQADQNXJQHAOI-UHFFFAOYSA-N 0 0 227.672 2.736 50 0 BFAARN CC(C)c1cc(=O)n2c3ccccc3nc2[nH]1 ZINC000101771943 384688492 /nfs/dbraw/zinc/68/84/92/384688492.db2.gz NUOAKWFAJSEHBR-UHFFFAOYSA-N 0 0 227.267 2.712 50 0 BFAARN Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000082521123 384688280 /nfs/dbraw/zinc/68/82/80/384688280.db2.gz XENHPFIRCXSNIB-UHFFFAOYSA-N 0 0 245.179 2.612 50 0 BFAARN CC(=O)N(C)C[C@@H]1[C@H](C)C=C(C)C[C@H]1C ZINC000101125776 384691826 /nfs/dbraw/zinc/69/18/26/384691826.db2.gz COCCDELCQAVHHZ-NQBHXWOUSA-N 0 0 209.333 2.703 50 0 BFAARN CCCC(=O)NCc1cc(C(CC)CC)no1 ZINC000076040943 384696211 /nfs/dbraw/zinc/69/62/11/384696211.db2.gz JZMGUIOEVNJVQQ-UHFFFAOYSA-N 0 0 238.331 2.995 50 0 BFAARN Cc1nc(COc2ccc(C)cn2)oc1C ZINC000077240487 384703724 /nfs/dbraw/zinc/70/37/24/384703724.db2.gz UJFYZSWCAHNGHP-UHFFFAOYSA-N 0 0 218.256 2.574 50 0 BFAARN Cc1ccc(OC(F)F)c([C@@H](C)O)c1 ZINC000021951627 384708219 /nfs/dbraw/zinc/70/82/19/384708219.db2.gz PPTCZXPJMACSMB-SSDOTTSWSA-N 0 0 202.200 2.650 50 0 BFAARN O=Cc1cc2cc(F)c(F)cc2nc1Cl ZINC000021982322 384711943 /nfs/dbraw/zinc/71/19/43/384711943.db2.gz KHMGMVNRBZRJLT-UHFFFAOYSA-N 0 0 227.597 2.979 50 0 BFAARN O=C1O[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 ZINC000016990732 384776049 /nfs/dbraw/zinc/77/60/49/384776049.db2.gz NHZLOUXGQVISND-UPJWGTAASA-N 0 0 216.280 2.886 50 0 BFAARN CC(C)(C)OC(=O)Nc1c[nH]c(Cl)cc1=O ZINC000071864486 384746123 /nfs/dbraw/zinc/74/61/23/384746123.db2.gz XYLIXPPZYWDTRA-UHFFFAOYSA-N 0 0 244.678 2.788 50 0 BFAARN Cc1cc(C(=O)Nc2ncccc2O)c(C)s1 ZINC000022264273 384751639 /nfs/dbraw/zinc/75/16/39/384751639.db2.gz FIIUMIIORRMJTH-UHFFFAOYSA-N 0 0 248.307 2.718 50 0 BFAARN Cc1ccc2c(c1)N(Cc1cncnc1)CCC2 ZINC000180751000 384765193 /nfs/dbraw/zinc/76/51/93/384765193.db2.gz YXGOTDHPAGQNRM-UHFFFAOYSA-N 0 0 239.322 2.738 50 0 BFAARN CC(C)(C)NC(=O)CSc1cccc(F)c1 ZINC000084842219 384766516 /nfs/dbraw/zinc/76/65/16/384766516.db2.gz LDPMLYYNMNMEJM-UHFFFAOYSA-N 0 0 241.331 2.833 50 0 BFAARN Cc1noc(C(C)C)c1C(=O)Nc1ccncc1 ZINC000022698958 384769167 /nfs/dbraw/zinc/76/91/67/384769167.db2.gz RMRQWBWMMRJIHE-UHFFFAOYSA-N 0 0 245.282 2.754 50 0 BFAARN CC(=O)c1cc(-c2ccncc2)[nH]c1C ZINC000077296803 384770775 /nfs/dbraw/zinc/77/07/75/384770775.db2.gz BIVFNKZXBRUIEA-UHFFFAOYSA-N 0 0 200.241 2.588 50 0 BFAARN CC(C)=CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000025026882 384837374 /nfs/dbraw/zinc/83/73/74/384837374.db2.gz PICKDPOZEOEJBQ-UHFFFAOYSA-N 0 0 247.294 2.753 50 0 BFAARN O=C(/C=C\c1ccccc1)n1nnc2ccccc21 ZINC000033391022 384794321 /nfs/dbraw/zinc/79/43/21/384794321.db2.gz OYYVHLPZRRNXJQ-KHPPLWFESA-N 0 0 249.273 2.785 50 0 BFAARN c1csc(-c2noc([C@@H]3CCCOC3)n2)c1 ZINC000084445022 384870581 /nfs/dbraw/zinc/87/05/81/384870581.db2.gz KOFZMCNDWKWBFB-MRVPVSSYSA-N 0 0 236.296 2.692 50 0 BFAARN c1csc(-c2noc([C@H]3CCCOC3)n2)c1 ZINC000084445025 384870683 /nfs/dbraw/zinc/87/06/83/384870683.db2.gz KOFZMCNDWKWBFB-QMMMGPOBSA-N 0 0 236.296 2.692 50 0 BFAARN Cc1ccn(Cc2ccc(Cl)cc2)c(=O)c1 ZINC000069981128 384883806 /nfs/dbraw/zinc/88/38/06/384883806.db2.gz NNEFCGCXCPJESB-UHFFFAOYSA-N 0 0 233.698 2.858 50 0 BFAARN CC(C)c1ccc(C(=O)N2CCCC2)c(O)c1 ZINC000084622488 384885725 /nfs/dbraw/zinc/88/57/25/384885725.db2.gz RSJVWSWTFFDCDJ-UHFFFAOYSA-N 0 0 233.311 2.752 50 0 BFAARN Cc1ccsc1C(=O)c1ccccn1 ZINC000084193717 384846718 /nfs/dbraw/zinc/84/67/18/384846718.db2.gz FJYIBYBFTLWFCG-UHFFFAOYSA-N 0 0 203.266 2.683 50 0 BFAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)OCCF ZINC000583651453 384857376 /nfs/dbraw/zinc/85/73/76/384857376.db2.gz MDFLHDNPMVZADE-VIFPVBQESA-N 0 0 243.253 2.925 50 0 BFAARN COC(=O)c1oc2ccc(OC)cc2c1C ZINC000057507780 384951140 /nfs/dbraw/zinc/95/11/40/384951140.db2.gz PGZMJOOOCVNYTE-UHFFFAOYSA-N 0 0 220.224 2.536 50 0 BFAARN CSc1nc2nccc(-c3ccsc3)n2n1 ZINC000057530969 384954138 /nfs/dbraw/zinc/95/41/38/384954138.db2.gz JZYRGNDJALBQGL-UHFFFAOYSA-N 0 0 248.336 2.575 50 0 BFAARN C[C@H](NC(=O)c1cccs1)c1ccncc1 ZINC000027405160 384897517 /nfs/dbraw/zinc/89/75/17/384897517.db2.gz MNVBJUZCFHXFDD-VIFPVBQESA-N 0 0 232.308 2.634 50 0 BFAARN Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]3C2)oc1C ZINC000095425849 384906904 /nfs/dbraw/zinc/90/69/04/384906904.db2.gz IGEQTJKMPXMEPG-RYUDHWBXSA-N 0 0 233.311 2.769 50 0 BFAARN Cn1c(Cl)c(C=O)c2cc(F)ccc21 ZINC000071465372 384911843 /nfs/dbraw/zinc/91/18/43/384911843.db2.gz XOHSKVDLYZDCED-UHFFFAOYSA-N 0 0 211.623 2.783 50 0 BFAARN COC(=O)c1cc(F)cc(-c2ncccc2F)c1 ZINC000085210141 384928781 /nfs/dbraw/zinc/92/87/81/384928781.db2.gz KLKCIBLYZCJPLZ-UHFFFAOYSA-N 0 0 249.216 2.813 50 0 BFAARN O=C(c1ccccc1)[C@H]1N[C@@H]1c1ccccc1 ZINC000057211577 384930686 /nfs/dbraw/zinc/93/06/86/384930686.db2.gz SUHPZGRFOCEHTL-KGLIPLIRSA-N 0 0 223.275 2.582 50 0 BFAARN O=C(OCC1CCSCC1)c1ccoc1 ZINC000096446443 384936480 /nfs/dbraw/zinc/93/64/80/384936480.db2.gz PMZRMVPOZINBLW-UHFFFAOYSA-N 0 0 226.297 2.580 50 0 BFAARN CCOCc1ccc(NC(=O)C(C)C)cc1 ZINC000096441203 384939141 /nfs/dbraw/zinc/93/91/41/384939141.db2.gz ABQRMDWMADOLAQ-UHFFFAOYSA-N 0 0 221.300 2.818 50 0 BFAARN COC(=O)CC(C)(C)c1ccc(OC)cc1 ZINC000085398500 384943149 /nfs/dbraw/zinc/94/31/49/384943149.db2.gz SHAIAIAOCNHGGQ-UHFFFAOYSA-N 0 0 222.284 2.536 50 0 BFAARN C[C@@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000085423507 384946104 /nfs/dbraw/zinc/94/61/04/384946104.db2.gz CEMXPTOUQBROST-GFCCVEGCSA-N 0 0 240.306 2.502 50 0 BFAARN CC(=O)Nc1cccc(Cn2cnc(C)c2C)c1 ZINC000072281954 384969777 /nfs/dbraw/zinc/96/97/77/384969777.db2.gz LHEVRFBDGPWVAU-UHFFFAOYSA-N 0 0 243.310 2.507 50 0 BFAARN CSc1cc(C)c(Br)cn1 ZINC000086032248 384981798 /nfs/dbraw/zinc/98/17/98/384981798.db2.gz XFNACZYKCKSTOP-UHFFFAOYSA-N 0 0 218.119 2.874 50 0 BFAARN C[C@H]1c2cccn2CCN1C(=O)c1ccccc1 ZINC000029378916 384989800 /nfs/dbraw/zinc/98/98/00/384989800.db2.gz UJCHSUGGKHCFNB-LBPRGKRZSA-N 0 0 240.306 2.705 50 0 BFAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccn(C)n2)C1(C)C ZINC000058424045 385003513 /nfs/dbraw/zinc/00/35/13/385003513.db2.gz AQTPEKSWUJLIOI-CMPLNLGQSA-N 0 0 247.342 2.597 50 0 BFAARN Cc1cc(=O)oc2cc(NC(=O)C(C)C)ccc12 ZINC000014722410 384964377 /nfs/dbraw/zinc/96/43/77/384964377.db2.gz GPSGMEQZPCNNEZ-UHFFFAOYSA-N 0 0 245.278 2.696 50 0 BFAARN CCCn1c(C)nc2cc(C(=O)OC)ccc21 ZINC000059745314 385053435 /nfs/dbraw/zinc/05/34/35/385053435.db2.gz HLCUMQMYJXGGGN-UHFFFAOYSA-N 0 0 232.283 2.541 50 0 BFAARN Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 ZINC000059726907 385054972 /nfs/dbraw/zinc/05/49/72/385054972.db2.gz OUGPBSYEHDRNGH-UHFFFAOYSA-N 0 0 233.702 2.597 50 0 BFAARN Cc1ccc([C@H](O)c2ccc(O)cc2)cc1 ZINC000059996054 385062095 /nfs/dbraw/zinc/06/20/95/385062095.db2.gz YROLENHJECWGMN-AWEZNQCLSA-N 0 0 214.264 2.782 50 0 BFAARN CCC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000078731670 385029024 /nfs/dbraw/zinc/02/90/24/385029024.db2.gz PXJGATVGHOMLSE-AWEZNQCLSA-N 0 0 246.354 2.524 50 0 BFAARN Brc1nc2c(s1)CCCC2 ZINC000031772067 385102556 /nfs/dbraw/zinc/10/25/56/385102556.db2.gz ZOKVOUATOUMFEK-UHFFFAOYSA-N 0 0 218.119 2.784 50 0 BFAARN Cc1occc1C(=O)N(C)Cc1ccccc1 ZINC000032738562 385181602 /nfs/dbraw/zinc/18/16/02/385181602.db2.gz UGEDQTQERZQMCS-UHFFFAOYSA-N 0 0 229.279 2.860 50 0 BFAARN CCS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000207980851 385186870 /nfs/dbraw/zinc/18/68/70/385186870.db2.gz UGDFZJIMZDMSGN-UHFFFAOYSA-N 0 0 239.123 2.787 50 0 BFAARN Cc1ccc2c(c1)CN(C(=O)C(C)(C)C)CCO2 ZINC000288522952 385159907 /nfs/dbraw/zinc/15/99/07/385159907.db2.gz UBHKITADOIVQRY-UHFFFAOYSA-N 0 0 247.338 2.762 50 0 BFAARN CS[C@H]1CCC[C@@H]1N(C)Cc1cscn1 ZINC000096441764 385168184 /nfs/dbraw/zinc/16/81/84/385168184.db2.gz UFHSOHOHLBRHHK-QWRGUYRKSA-N 0 0 242.413 2.859 50 0 BFAARN CC(C)(C)c1ccc(-c2nonc2N)cc1 ZINC000032624348 385174976 /nfs/dbraw/zinc/17/49/76/385174976.db2.gz UFSSPPRVCVWFIS-UHFFFAOYSA-N 0 0 217.272 2.616 50 0 BFAARN Cc1c(NCCO)cccc1OC1CCCC1 ZINC000096461164 385181070 /nfs/dbraw/zinc/18/10/70/385181070.db2.gz LOMYXISPQAOKIN-UHFFFAOYSA-N 0 0 235.327 2.721 50 0 BFAARN FC(F)=C(Br)Br ZINC000063148397 385211920 /nfs/dbraw/zinc/21/19/20/385211920.db2.gz VTFPVQZQUFXLFH-UHFFFAOYSA-N 0 0 221.826 2.842 50 0 BFAARN Cc1ccc(SCCC(=O)N(C)C)cc1 ZINC000000470418 385214890 /nfs/dbraw/zinc/21/48/90/385214890.db2.gz LQYXSXYNJWKSML-UHFFFAOYSA-N 0 0 223.341 2.565 50 0 BFAARN COC[C@H](NCC(F)(F)F)c1ccccc1 ZINC000096491359 385231816 /nfs/dbraw/zinc/23/18/16/385231816.db2.gz YKCIYDIPAKRNEL-JTQLQIEISA-N 0 0 233.233 2.526 50 0 BFAARN CC[C@H](SC[C@@H](C)c1ccccc1)C(N)=O ZINC000096496212 385232579 /nfs/dbraw/zinc/23/25/79/385232579.db2.gz XHXWFWMXSCAPCI-PWSUYJOCSA-N 0 0 237.368 2.787 50 0 BFAARN Cc1nc(CNc2cccc(CO)c2)sc1C ZINC000096494624 385233658 /nfs/dbraw/zinc/23/36/58/385233658.db2.gz ZRFYCXKPJQOXLT-UHFFFAOYSA-N 0 0 248.351 2.864 50 0 BFAARN c1ccc(CSC[C@H]2CCCOC2)nc1 ZINC000096494703 385234209 /nfs/dbraw/zinc/23/42/09/385234209.db2.gz GEOWLINXMWGXBK-NSHDSACASA-N 0 0 223.341 2.741 50 0 BFAARN Cc1ccc(O[C@H](C)C(=O)N2CCCC2)cc1C ZINC000008498674 385243949 /nfs/dbraw/zinc/24/39/49/385243949.db2.gz OOWFFMDEZKWGFZ-CYBMUJFWSA-N 0 0 247.338 2.693 50 0 BFAARN C[C@@H](Cc1ccoc1)NC(=O)c1ccccc1F ZINC000206661125 385203536 /nfs/dbraw/zinc/20/35/36/385203536.db2.gz YAWXYCSMSHUIGJ-JTQLQIEISA-N 0 0 247.269 2.780 50 0 BFAARN C[C@H](Cc1ccoc1)NC(=O)c1ccccc1F ZINC000206661166 385205356 /nfs/dbraw/zinc/20/53/56/385205356.db2.gz YAWXYCSMSHUIGJ-SNVBAGLBSA-N 0 0 247.269 2.780 50 0 BFAARN C1=C[C@H](Cc2nnc(Cc3ccccc3)[nH]2)CC1 ZINC000065403576 385307277 /nfs/dbraw/zinc/30/72/77/385307277.db2.gz XGOPYCMJBUHMBS-ZDUSSCGKSA-N 0 0 239.322 2.904 50 0 BFAARN Nc1cc(-c2ccc(-c3cc[nH]n3)cc2)ccn1 ZINC000065423977 385308036 /nfs/dbraw/zinc/30/80/36/385308036.db2.gz UIFOOAWWYFIQGC-UHFFFAOYSA-N 0 0 236.278 2.721 50 0 BFAARN Cc1cc(CN(C)Cc2cnn(C)c2C)oc1C ZINC000065418970 385309190 /nfs/dbraw/zinc/30/91/90/385309190.db2.gz QNDMEPUMXFAZIO-UHFFFAOYSA-N 0 0 247.342 2.570 50 0 BFAARN CC1(C)C[C@@]1(Cn1cnnc1)c1ccccc1 ZINC000065497092 385316576 /nfs/dbraw/zinc/31/65/76/385316576.db2.gz AHNBCIRMTJUDMN-CQSZACIVSA-N 0 0 227.311 2.646 50 0 BFAARN C[C@@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000000142369 385258877 /nfs/dbraw/zinc/25/88/77/385258877.db2.gz PXAJVLWTDLKLRV-LLVKDONJSA-N 0 0 226.279 2.573 50 0 BFAARN COc1ncccc1NC(=O)NC1CCCCC1 ZINC000048414564 385274271 /nfs/dbraw/zinc/27/42/71/385274271.db2.gz NEPIWLVDAOBTOB-UHFFFAOYSA-N 0 0 249.314 2.544 50 0 BFAARN CC[C@@H](Cc1ccccc1)NC(=O)C1CC1 ZINC000004827716 385284556 /nfs/dbraw/zinc/28/45/56/385284556.db2.gz DLVJHAKSMWJQLV-ZDUSSCGKSA-N 0 0 217.312 2.534 50 0 BFAARN CC[C@H](Cc1ccccc1)NC(=O)C1CC1 ZINC000004827722 385284693 /nfs/dbraw/zinc/28/46/93/385284693.db2.gz DLVJHAKSMWJQLV-CYBMUJFWSA-N 0 0 217.312 2.534 50 0 BFAARN CC(C)(C)[C@H]1CCc2[nH]c(=O)sc2C1 ZINC000034669849 385289788 /nfs/dbraw/zinc/28/97/88/385289788.db2.gz HUFUSTAOUGGSMK-ZETCQYMHSA-N 0 0 211.330 2.587 50 0 BFAARN OCc1ccccc1-c1ccccc1O ZINC000065339928 385301108 /nfs/dbraw/zinc/30/11/08/385301108.db2.gz FGCSCCNLDZVFBI-UHFFFAOYSA-N 0 0 200.237 2.552 50 0 BFAARN O=Cc1ccc(-c2ccc(C=O)c(O)c2)cc1 ZINC000065341777 385301371 /nfs/dbraw/zinc/30/13/71/385301371.db2.gz KOBYWILPDWAYHS-UHFFFAOYSA-N 0 0 226.231 2.684 50 0 BFAARN C(=Cc1ccccc1)c1n[nH]c(C2CC2)n1 ZINC000065371098 385301627 /nfs/dbraw/zinc/30/16/27/385301627.db2.gz MYCSOSORYCJNGG-RMKNXTFCSA-N 0 0 211.268 2.853 50 0 BFAARN c1csc(-c2noc(-c3cscn3)n2)c1 ZINC000098009560 385350993 /nfs/dbraw/zinc/35/09/93/385350993.db2.gz VVDBGJQDETVFPE-UHFFFAOYSA-N 0 0 235.293 2.922 50 0 BFAARN Cc1ccc(C(=O)NCc2ccncc2)c(C)c1 ZINC000000514547 385381062 /nfs/dbraw/zinc/38/10/62/385381062.db2.gz DPMMFAFURIKAOR-UHFFFAOYSA-N 0 0 240.306 2.628 50 0 BFAARN CC(=O)c1c[nH]c2c1ccc1cccnc21 ZINC000020064336 385412163 /nfs/dbraw/zinc/41/21/63/385412163.db2.gz QHPLTDRSQHVFDU-UHFFFAOYSA-N 0 0 210.236 2.919 50 0 BFAARN FC1(F)CN(c2ccc3[nH]ccc3c2)C1 ZINC000169725925 385418550 /nfs/dbraw/zinc/41/85/50/385418550.db2.gz WGJARQOWRDOKRL-UHFFFAOYSA-N 0 0 208.211 2.623 50 0 BFAARN CN(Cc1ccccc1)C(=O)c1ccccc1O ZINC000011639210 385478986 /nfs/dbraw/zinc/47/89/86/385478986.db2.gz JSQONQZQJPHGRG-UHFFFAOYSA-N 0 0 241.290 2.664 50 0 BFAARN COC(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000000550002 385493582 /nfs/dbraw/zinc/49/35/82/385493582.db2.gz IISDTIVIEHHIHD-UHFFFAOYSA-N 0 0 248.200 2.552 50 0 BFAARN Cc1ccc(NC(=O)/C=C/c2ccco2)nc1 ZINC000000476100 385495404 /nfs/dbraw/zinc/49/54/04/385495404.db2.gz FBWGPENBYWVVFF-FNORWQNLSA-N 0 0 228.251 2.635 50 0 BFAARN CC(=O)O[C@H]1CCCC[C@@H]1n1nc(C)cc1C ZINC000000553890 385502860 /nfs/dbraw/zinc/50/28/60/385502860.db2.gz OIBGRPDKPXNRMM-STQMWFEESA-N 0 0 236.315 2.547 50 0 BFAARN O=C(c1cscn1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000078487928 385548111 /nfs/dbraw/zinc/54/81/11/385548111.db2.gz XQTZCVLWVVKBRS-ONGXEEELSA-N 0 0 236.340 2.548 50 0 BFAARN Cc1ccc(SCCO)c(Br)c1 ZINC000255187092 385712378 /nfs/dbraw/zinc/71/23/78/385712378.db2.gz BFVRGJGIUZHZCF-UHFFFAOYSA-N 0 0 247.157 2.842 50 0 BFAARN Cc1cc(C(=O)Nc2cccnc2)cs1 ZINC000001055319 385729024 /nfs/dbraw/zinc/72/90/24/385729024.db2.gz SHJZWAQUAZXSLI-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN CC(C)(CCO)Nc1ccccc1Cl ZINC000257373282 385766665 /nfs/dbraw/zinc/76/66/65/385766665.db2.gz UMFBIZZIGNVNCG-UHFFFAOYSA-N 0 0 213.708 2.913 50 0 BFAARN CSc1cc(-c2ccco2)nc2[nH]nc(N)c21 ZINC000214080279 385804244 /nfs/dbraw/zinc/80/42/44/385804244.db2.gz GWQCIWQMOOUZOE-UHFFFAOYSA-N 0 0 246.295 2.522 50 0 BFAARN Clc1ccc(CNc2nncs2)cc1 ZINC000069965625 385856855 /nfs/dbraw/zinc/85/68/55/385856855.db2.gz LPCMWMAFKKGXIX-UHFFFAOYSA-N 0 0 225.704 2.804 50 0 BFAARN C[C@H](NC(=O)c1ccco1)c1cccs1 ZINC000021358975 385859002 /nfs/dbraw/zinc/85/90/02/385859002.db2.gz MULFSDKNAAIJQY-QMMMGPOBSA-N 0 0 221.281 2.832 50 0 BFAARN COC(=O)Cc1cc(Cl)c(F)cc1Cl ZINC000260725777 385792183 /nfs/dbraw/zinc/79/21/83/385792183.db2.gz CROYYROFWAEJLJ-UHFFFAOYSA-N 0 0 237.057 2.848 50 0 BFAARN CC(C)c1noc([C@H](C)N2CCC[C@H](C)C2)n1 ZINC000044583682 385796825 /nfs/dbraw/zinc/79/68/25/385796825.db2.gz HFWHMCDWWQQOCP-QWRGUYRKSA-N 0 0 237.347 2.986 50 0 BFAARN CCc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1O ZINC000291490365 385879877 /nfs/dbraw/zinc/87/98/77/385879877.db2.gz SPEASOITNQKICP-LLVKDONJSA-N 0 0 247.338 2.827 50 0 BFAARN Cc1ccc(C(=O)Nc2ccccn2)s1 ZINC000012545051 385991961 /nfs/dbraw/zinc/99/19/61/385991961.db2.gz WOSDUKNYPLGZEN-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN CC(=O)c1ccc(C(=O)Nc2ccncc2)s1 ZINC000012642735 385967140 /nfs/dbraw/zinc/96/71/40/385967140.db2.gz WBPCKWQXRDWOBC-UHFFFAOYSA-N 0 0 246.291 2.598 50 0 BFAARN C[C@@H](CC1CC1)Nc1cccc(CO)c1 ZINC000183867601 386043698 /nfs/dbraw/zinc/04/36/98/386043698.db2.gz ITAHBKOKASWWDB-JTQLQIEISA-N 0 0 205.301 2.779 50 0 BFAARN CC(C)c1cc(CNC(=O)C[C@H]2C=CCC2)on1 ZINC000223328839 386083316 /nfs/dbraw/zinc/08/33/16/386083316.db2.gz WEDPRDKONZWFBK-NSHDSACASA-N 0 0 248.326 2.771 50 0 BFAARN O=CNC1(c2ccccc2)CCCCC1 ZINC000000394390 386147112 /nfs/dbraw/zinc/14/71/12/386147112.db2.gz OYKZJWSJPUGNIC-UHFFFAOYSA-N 0 0 203.285 2.592 50 0 BFAARN O=Cc1ccc(-c2ccnc(Cl)n2)cc1 ZINC000038580114 386137042 /nfs/dbraw/zinc/13/70/42/386137042.db2.gz OASQWTRHGGCCKG-UHFFFAOYSA-N 0 0 218.643 2.610 50 0 BFAARN C[C@@H](NC(=O)CC(F)(F)F)c1ccccc1 ZINC000040490309 386210584 /nfs/dbraw/zinc/21/05/84/386210584.db2.gz PDANYEFQMMOECR-MRVPVSSYSA-N 0 0 231.217 2.816 50 0 BFAARN CC[C@@H](C)[C@H](C)Nc1ccc(C)c(C(N)=O)c1 ZINC000183118570 386212925 /nfs/dbraw/zinc/21/29/25/386212925.db2.gz VILPLOQHVAMABN-KOLCDFICSA-N 0 0 234.343 2.940 50 0 BFAARN Cc1ccc(NC(=O)[C@@H]2CCC(F)(F)C2)nc1 ZINC000225453087 386195876 /nfs/dbraw/zinc/19/58/76/386195876.db2.gz FBUVOTZZPUGAEJ-SECBINFHSA-N 0 0 240.253 2.764 50 0 BFAARN CC(C)(C)CCCNc1ncnc2oncc21 ZINC000225504481 386197651 /nfs/dbraw/zinc/19/76/51/386197651.db2.gz OKACBPWOKOFSHA-UHFFFAOYSA-N 0 0 234.303 2.856 50 0 BFAARN Cc1ccc2oc(NC[C@H]3CCC[N@H+]3C)nc2c1 ZINC000265171512 386313389 /nfs/dbraw/zinc/31/33/89/386313389.db2.gz YTBDYAUOKWQFTP-LLVKDONJSA-N 0 0 245.326 2.642 50 0 BFAARN Cc1ccc2oc(NC[C@@H]3CCC[N@H+]3C)nc2c1 ZINC000265171513 386313733 /nfs/dbraw/zinc/31/37/33/386313733.db2.gz YTBDYAUOKWQFTP-NSHDSACASA-N 0 0 245.326 2.642 50 0 BFAARN Cc1noc(CN2CCC[C@H]2c2ccsc2)n1 ZINC000044937856 386342689 /nfs/dbraw/zinc/34/26/89/386342689.db2.gz VLWPAZKYLJXTSQ-NSHDSACASA-N 0 0 249.339 2.777 50 0 BFAARN CC(C)(C)OC(=O)N1CC2(C1)CC=CC2 ZINC000238176238 386448580 /nfs/dbraw/zinc/44/85/80/386448580.db2.gz FCJJOVIWSSZKBW-UHFFFAOYSA-N 0 0 209.289 2.574 50 0 BFAARN CC(C)(C)OC(=O)N1CC(Oc2ccccc2)C1 ZINC000238173176 386449603 /nfs/dbraw/zinc/44/96/03/386449603.db2.gz CTNHCTDBYOYTEG-UHFFFAOYSA-N 0 0 249.310 2.685 50 0 BFAARN CNc1cccc2cccc(N(C)C)c21 ZINC000005141031 386516015 /nfs/dbraw/zinc/51/60/15/386516015.db2.gz RBSSKSPWLOAFJU-UHFFFAOYSA-N 0 0 200.285 2.948 50 0 BFAARN CSCc1cccc(-c2cncn2C)c1 ZINC000585090011 386656207 /nfs/dbraw/zinc/65/62/07/386656207.db2.gz LLGFBJLIRDINIU-UHFFFAOYSA-N 0 0 218.325 2.950 50 0 BFAARN Clc1nccn2nc3c(c12)CCCCC3 ZINC000096516369 386607691 /nfs/dbraw/zinc/60/76/91/386607691.db2.gz NKJGKHIBZKGSRZ-UHFFFAOYSA-N 0 0 221.691 2.652 50 0 BFAARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccccc1F ZINC000012409103 386608417 /nfs/dbraw/zinc/60/84/17/386608417.db2.gz VUHAHEXRCSWPTM-UWVGGRQHSA-N 0 0 247.269 2.505 50 0 BFAARN Cc1ccc(Cl)cc1NC(=O)c1ccnn1C ZINC000001429179 386659980 /nfs/dbraw/zinc/65/99/80/386659980.db2.gz SUDHJAFNXRTIFU-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN CCOC[C@@H](C)Nc1ncnc2ccsc21 ZINC000044416401 386669012 /nfs/dbraw/zinc/66/90/12/386669012.db2.gz TVUIKAZFDARSON-MRVPVSSYSA-N 0 0 237.328 2.528 50 0 BFAARN C[C@@H]1CC[C@H](n2cc(-c3ccncc3)nn2)C1 ZINC000585124315 386678107 /nfs/dbraw/zinc/67/81/07/386678107.db2.gz YABVWYOODFLASJ-PWSUYJOCSA-N 0 0 228.299 2.701 50 0 BFAARN C[C@H]1CC[C@H](n2cc(-c3ccccn3)nn2)C1 ZINC000585124323 386678221 /nfs/dbraw/zinc/67/82/21/386678221.db2.gz YUGMKHHONNQGRX-QWRGUYRKSA-N 0 0 228.299 2.701 50 0 BFAARN C[C@@H]1CC[C@H](n2cc(-c3ccccn3)nn2)C1 ZINC000585124322 386679835 /nfs/dbraw/zinc/67/98/35/386679835.db2.gz YUGMKHHONNQGRX-MNOVXSKESA-N 0 0 228.299 2.701 50 0 BFAARN C[N@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1 ZINC000011890249 386711654 /nfs/dbraw/zinc/71/16/54/386711654.db2.gz ZRNYKCIHBPTVOT-UHFFFAOYSA-N 0 0 245.278 2.610 50 0 BFAARN Cc1noc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000012824980 386731049 /nfs/dbraw/zinc/73/10/49/386731049.db2.gz QALLDHNMYDGFMP-UHFFFAOYSA-N 0 0 248.257 2.612 50 0 BFAARN O=C(C1CC1)N1CCC[C@H]1c1ccsc1 ZINC000046912563 386733310 /nfs/dbraw/zinc/73/33/10/386733310.db2.gz VNWQGEQOMZKDMR-NSHDSACASA-N 0 0 221.325 2.822 50 0 BFAARN Cc1nc(C(=O)N[C@@H](C)c2ccc(F)cc2)co1 ZINC000022538590 386726231 /nfs/dbraw/zinc/72/62/31/386726231.db2.gz PQBKRILOZCOXJY-QMMMGPOBSA-N 0 0 248.257 2.613 50 0 BFAARN O=C(Nc1nccs1)c1sccc1F ZINC000336630869 386745082 /nfs/dbraw/zinc/74/50/82/386745082.db2.gz CFDLTWMBLNOVBC-UHFFFAOYSA-N 0 0 228.273 2.596 50 0 BFAARN CC(C)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000332386298 386974415 /nfs/dbraw/zinc/97/44/15/386974415.db2.gz HAQIHLOQOUFWLT-UHFFFAOYSA-N 0 0 236.315 2.523 50 0 BFAARN CCc1ccccc1NC(=O)[C@H](C)n1cccn1 ZINC000012849855 386975032 /nfs/dbraw/zinc/97/50/32/386975032.db2.gz LAYCZZLNIAOMQG-NSHDSACASA-N 0 0 243.310 2.645 50 0 BFAARN CCC[C@H](C(=O)NCCCOC)c1ccccc1 ZINC000047465894 386986812 /nfs/dbraw/zinc/98/68/12/386986812.db2.gz FOIOHBVEOJBSAF-AWEZNQCLSA-N 0 0 249.354 2.723 50 0 BFAARN Cc1cccc(F)c1NC(=O)c1cscn1 ZINC000095988972 387010355 /nfs/dbraw/zinc/01/03/55/387010355.db2.gz ZQRHEVQRCFTQMJ-UHFFFAOYSA-N 0 0 236.271 2.843 50 0 BFAARN Cc1nonc1NC(=O)CCCC1CCCC1 ZINC000074727147 387021289 /nfs/dbraw/zinc/02/12/89/387021289.db2.gz LGNUCCXIAZTBGB-UHFFFAOYSA-N 0 0 237.303 2.677 50 0 BFAARN Cc1ccc(OCc2noc(C3CC3)n2)cc1F ZINC000192577411 387146815 /nfs/dbraw/zinc/14/68/15/387146815.db2.gz SEDZUYHPHRPKJE-UHFFFAOYSA-N 0 0 248.257 2.974 50 0 BFAARN Clc1cc(Cl)cc(OC[C@H]2CO2)c1 ZINC000036814215 387151486 /nfs/dbraw/zinc/15/14/86/387151486.db2.gz WINSUAJGKBCXIF-VIFPVBQESA-N 0 0 219.067 2.771 50 0 BFAARN CCO[C@H](C)c1nccn1Cc1c(C)noc1C ZINC000089521540 387133246 /nfs/dbraw/zinc/13/32/46/387133246.db2.gz TXPBWXJBLQJVBH-LLVKDONJSA-N 0 0 249.314 2.634 50 0 BFAARN COc1ccc2[nH]c(C)c(C(C)=O)c2c1 ZINC000000236142 322809298 /nfs/dbraw/zinc/80/92/98/322809298.db2.gz PLKHPGZPVMZOQI-UHFFFAOYSA-N 0 0 203.241 2.688 50 0 BFAARN C[C@](O)(c1ccc(Cl)cc1)c1ccccn1 ZINC000000399054 387218045 /nfs/dbraw/zinc/21/80/45/387218045.db2.gz MVGXHPOATKRSGF-ZDUSSCGKSA-N 0 0 233.698 2.991 50 0 BFAARN O=C(/C=C/c1ccccc1)Nc1ccccn1 ZINC000000568072 387219803 /nfs/dbraw/zinc/21/98/03/387219803.db2.gz BDNKPEVYDJXVHD-MDZDMXLPSA-N 0 0 224.263 2.734 50 0 BFAARN CC(C)c1cc(C(=O)NC2CCCCC2)on1 ZINC000064555301 387221034 /nfs/dbraw/zinc/22/10/34/387221034.db2.gz ZHBBKQRFGQKSAB-UHFFFAOYSA-N 0 0 236.315 2.861 50 0 BFAARN c1csc(-c2nnc([C@H]3CCCO3)o2)c1 ZINC000064556806 387221072 /nfs/dbraw/zinc/22/10/72/387221072.db2.gz YKLRWYZUKOLWEA-SSDOTTSWSA-N 0 0 222.269 2.650 50 0 BFAARN C[C@@H]1C[C@@]1(Cl)[S@@](=O)c1ccccc1 ZINC000095627052 387227413 /nfs/dbraw/zinc/22/74/13/387227413.db2.gz BASQNYBLNPBUEJ-ZDSQKVDBSA-N 0 0 214.717 2.769 50 0 BFAARN C1=CC2C3C=CC4C5C=CC6C1C2C(C65)C34 ZINC000071785852 387288495 /nfs/dbraw/zinc/28/84/95/387288495.db2.gz BDGDXZGHWJTCIG-UHFFFAOYSA-N 0 0 208.304 2.899 50 0 BFAARN CCS[C@H]1CCC[C@H]1Nc1ncccn1 ZINC000078996791 387307625 /nfs/dbraw/zinc/30/76/25/387307625.db2.gz VPRBOEVQQSNSGI-ZJUUUORDSA-N 0 0 223.345 2.563 50 0 BFAARN CCCC1CCC(N(C)C(=O)c2cc[nH]n2)CC1 ZINC000192270764 387357304 /nfs/dbraw/zinc/35/73/04/387357304.db2.gz RTCGFGUSDKFWKM-UHFFFAOYSA-N 0 0 249.358 2.841 50 0 BFAARN Cc1nc(-c2cccc3cccnc32)c[nH]1 ZINC000032547858 387351494 /nfs/dbraw/zinc/35/14/94/387351494.db2.gz PPWJDGIXJRBHDF-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000001925535 387431376 /nfs/dbraw/zinc/43/13/76/387431376.db2.gz FKGPFCMBLZTYRT-UHFFFAOYSA-N 0 0 227.292 2.941 50 0 BFAARN Cn1ncnc1COc1ccccc1C(C)(C)C ZINC000088583626 387447594 /nfs/dbraw/zinc/44/75/94/387447594.db2.gz HGJDCIKDVHRUCN-UHFFFAOYSA-N 0 0 245.326 2.692 50 0 BFAARN C[C@H](Cc1ccoc1)NC(=O)Cc1cccs1 ZINC000084829309 387454580 /nfs/dbraw/zinc/45/45/80/387454580.db2.gz YOLFMMSBZLNMGU-SNVBAGLBSA-N 0 0 249.335 2.631 50 0 BFAARN C/C=C/C=C/C(=O)Nc1nc(C)cs1 ZINC000030811989 387387309 /nfs/dbraw/zinc/38/73/09/387387309.db2.gz HBCBDKSYQYSNBR-VNKDHWASSA-N 0 0 208.286 2.522 50 0 BFAARN O=C(CC1CC1)NCc1ccc(-c2ccco2)o1 ZINC000575604737 387387410 /nfs/dbraw/zinc/38/74/10/387387410.db2.gz DWESNIBKEVCMAH-UHFFFAOYSA-N 0 0 245.278 2.956 50 0 BFAARN Cc1cc(CN2CCCC[C@@H]2C(F)(F)F)on1 ZINC000575606292 387392284 /nfs/dbraw/zinc/39/22/84/387392284.db2.gz GTGHIBKVKICGGR-SNVBAGLBSA-N 0 0 248.248 2.900 50 0 BFAARN O=C(NCc1ccc(-c2ccoc2)o1)C1CCC1 ZINC000575610091 387409682 /nfs/dbraw/zinc/40/96/82/387409682.db2.gz KBESDRCJFBGYIB-UHFFFAOYSA-N 0 0 245.278 2.956 50 0 BFAARN CSCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000032819592 387494203 /nfs/dbraw/zinc/49/42/03/387494203.db2.gz LNNPJHCRDUFQKP-WDEREUQCSA-N 0 0 227.373 2.531 50 0 BFAARN CC(C)Cn1[nH]c(-c2ccccc2)cc1=N ZINC000102793918 387475039 /nfs/dbraw/zinc/47/50/39/387475039.db2.gz NRASWMUMXAOYER-UHFFFAOYSA-N 0 0 215.300 2.619 50 0 BFAARN CONC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000089420514 387488935 /nfs/dbraw/zinc/48/89/35/387488935.db2.gz AIBSUEFOEGYDGK-KBPBESRZSA-N 0 0 241.290 2.621 50 0 BFAARN Cc1nc(-c2ccc(C)c3ncccc23)n(C)n1 ZINC000426541536 387581410 /nfs/dbraw/zinc/58/14/10/387581410.db2.gz QWELYAAXCJIVCF-UHFFFAOYSA-N 0 0 238.294 2.647 50 0 BFAARN Cc1cc(-c2nc(C)cc(C3CCC3)n2)n[nH]1 ZINC000426649821 387584366 /nfs/dbraw/zinc/58/43/66/387584366.db2.gz YXGAAADCJGNJDU-UHFFFAOYSA-N 0 0 228.299 2.751 50 0 BFAARN Cn1cc(-c2ccc(-c3cnco3)s2)cn1 ZINC000426690734 387586743 /nfs/dbraw/zinc/58/67/43/387586743.db2.gz SFQYRMQYXWRDTC-UHFFFAOYSA-N 0 0 231.280 2.804 50 0 BFAARN COc1ccc(C)nc1-c1ccc(N(C)C)nc1 ZINC000426473720 387573587 /nfs/dbraw/zinc/57/35/87/387573587.db2.gz WWFJSJMXNHRYFP-UHFFFAOYSA-N 0 0 243.310 2.527 50 0 BFAARN Cc1n[nH]cc1-c1cccc(C(F)(F)F)n1 ZINC000426472727 387575317 /nfs/dbraw/zinc/57/53/17/387575317.db2.gz KTIXPWJWEQPHFN-UHFFFAOYSA-N 0 0 227.189 2.799 50 0 BFAARN CCc1cccc(C)c1Nc1cc(C)nc(N)n1 ZINC000072437523 387653289 /nfs/dbraw/zinc/65/32/89/387653289.db2.gz QHYALKWFEPXLAZ-UHFFFAOYSA-N 0 0 242.326 2.982 50 0 BFAARN CCSCCn1nccc1-c1ccncc1 ZINC000127837283 387727851 /nfs/dbraw/zinc/72/78/51/387727851.db2.gz ULWIIZQEBUFQEX-UHFFFAOYSA-N 0 0 233.340 2.698 50 0 BFAARN COC(=O)c1oc2c(cccc2C)c1C ZINC000064019993 387765935 /nfs/dbraw/zinc/76/59/35/387765935.db2.gz MECMKFYOHJWXEZ-UHFFFAOYSA-N 0 0 204.225 2.836 50 0 BFAARN CCc1ccc(CNC(=O)c2ccoc2)s1 ZINC000036392990 387789970 /nfs/dbraw/zinc/78/99/70/387789970.db2.gz UWOXHFIVJVXSNA-UHFFFAOYSA-N 0 0 235.308 2.834 50 0 BFAARN Cc1oncc1CN1CCC[C@@H]1C(F)(F)F ZINC000527629359 387798751 /nfs/dbraw/zinc/79/87/51/387798751.db2.gz IMSVYQWXSOZNAS-SECBINFHSA-N 0 0 234.221 2.510 50 0 BFAARN COC(=O)c1cc(Br)c(C)cc1C ZINC000034083094 387848058 /nfs/dbraw/zinc/84/80/58/387848058.db2.gz DVWSCROTFQAIEU-UHFFFAOYSA-N 0 0 243.100 2.853 50 0 BFAARN O=C(CCCSc1ccccc1)NC1CC1 ZINC000040459692 387890117 /nfs/dbraw/zinc/89/01/17/387890117.db2.gz WMNRCVUTXWKITR-UHFFFAOYSA-N 0 0 235.352 2.838 50 0 BFAARN CCc1ccc([C@H](C)NCc2nccn2C)cc1 ZINC000037978981 387908241 /nfs/dbraw/zinc/90/82/41/387908241.db2.gz WUFBSMAMCDTGLU-LBPRGKRZSA-N 0 0 243.354 2.833 50 0 BFAARN COc1cc(Cl)ncc1C(F)(F)F ZINC000238341636 387910324 /nfs/dbraw/zinc/91/03/24/387910324.db2.gz ZETMFNUAHWLLIB-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN Cc1cc(C(=O)O[C@@H](C)CC(C)(C)O)c(C)o1 ZINC000239351858 177826159 /nfs/dbraw/zinc/82/61/59/177826159.db2.gz AACLQESVAKBZDS-VIFPVBQESA-N 0 0 240.299 2.603 50 0 BFAARN Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)no1 ZINC000108481643 177804907 /nfs/dbraw/zinc/80/49/07/177804907.db2.gz GCJYBHPTKXASRM-FBIMIBRVSA-N 0 0 236.315 2.538 50 0 BFAARN CC[C@@H](C)NC(=O)N[C@H](C)c1cccc(O)c1 ZINC000065513368 388066321 /nfs/dbraw/zinc/06/63/21/388066321.db2.gz AGLJOFDWVLHCPV-NXEZZACHSA-N 0 0 236.315 2.551 50 0 BFAARN Cc1cc(C(=O)NCC(C)C)c2ccccc2n1 ZINC000002634811 177776874 /nfs/dbraw/zinc/77/68/74/177776874.db2.gz NXNXAPTTZSRDRK-UHFFFAOYSA-N 0 0 242.322 2.929 50 0 BFAARN CSCc1nc2ccc(C(C)C)cc2c(=O)[nH]1 ZINC000084625233 388080668 /nfs/dbraw/zinc/08/06/68/388080668.db2.gz XQKTWBTVZFTLEB-UHFFFAOYSA-N 0 0 248.351 2.910 50 0 BFAARN CCCCNC(=O)c1ccc(N2CCCC2)cc1 ZINC000007383482 388085844 /nfs/dbraw/zinc/08/58/44/388085844.db2.gz KAMQAILANIKZEM-UHFFFAOYSA-N 0 0 246.354 2.817 50 0 BFAARN CCN(C(=O)c1cc2c(s1)CCC2)C1CC1 ZINC000065584871 388098093 /nfs/dbraw/zinc/09/80/93/388098093.db2.gz DXGUZUGZKLQQQX-UHFFFAOYSA-N 0 0 235.352 2.861 50 0 BFAARN C[C@@H](NC(=O)c1ccsc1)c1ccccn1 ZINC000037109047 388123846 /nfs/dbraw/zinc/12/38/46/388123846.db2.gz XGDYTVVRWURPNT-SECBINFHSA-N 0 0 232.308 2.634 50 0 BFAARN CC(=O)N1c2ccccc2NC(=S)C[C@H]1C ZINC000007089619 388255720 /nfs/dbraw/zinc/25/57/20/388255720.db2.gz XSXLYKIOSJRPLN-MRVPVSSYSA-N 0 0 234.324 2.571 50 0 BFAARN Cc1nc(C(=O)Nc2ccc(C)c(F)c2)c(C)o1 ZINC000065293380 388255967 /nfs/dbraw/zinc/25/59/67/388255967.db2.gz FGFVAEHDYMTBGI-UHFFFAOYSA-N 0 0 248.257 2.991 50 0 BFAARN C/C=C/C=C/C(=O)NCc1ccc(C)c(F)c1 ZINC000014183475 388235675 /nfs/dbraw/zinc/23/56/75/388235675.db2.gz PUKQQDXMOZPOQD-VNKDHWASSA-N 0 0 233.286 2.883 50 0 BFAARN CNc1nc(-c2cncc(C)c2)cs1 ZINC000170606696 388246530 /nfs/dbraw/zinc/24/65/30/388246530.db2.gz BJEIYXUAHPHFND-UHFFFAOYSA-N 0 0 205.286 2.555 50 0 BFAARN C[C@@H]1C[C@H]1c1ccc(C=C2SC(=O)NC2=O)o1 ZINC000009869954 388273355 /nfs/dbraw/zinc/27/33/55/388273355.db2.gz FSWLCORFLUTWKN-OHGZJSFGSA-N 0 0 249.291 2.727 50 0 BFAARN C[C@@H]1C[C@@H]1c1ccc(C=C2SC(=O)NC2=O)o1 ZINC000009869940 388273829 /nfs/dbraw/zinc/27/38/29/388273829.db2.gz FSWLCORFLUTWKN-ORRWNSOMSA-N 0 0 249.291 2.727 50 0 BFAARN O=C(/C=C/c1ccco1)Nc1ccc(Cl)cn1 ZINC000002910428 388353387 /nfs/dbraw/zinc/35/33/87/388353387.db2.gz APEZOXOLPTZRLN-GQCTYLIASA-N 0 0 248.669 2.980 50 0 BFAARN CC(=O)n1nccc1[C@H](C)Oc1ccccc1 ZINC000003016397 388360051 /nfs/dbraw/zinc/36/00/51/388360051.db2.gz WYZYDJRUMCONEN-JTQLQIEISA-N 0 0 230.267 2.683 50 0 BFAARN Cc1noc(C)c1C(=O)Nc1ccc(F)cc1 ZINC000003105225 388363757 /nfs/dbraw/zinc/36/37/57/388363757.db2.gz XMFGYLAMMVOART-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN C/C=C/C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000003237728 388369414 /nfs/dbraw/zinc/36/94/14/388369414.db2.gz DUWBOVPNWDDRBW-NSCUHMNNSA-N 0 0 238.670 2.642 50 0 BFAARN CC(C)c1ccn(Cc2nccn2C(F)F)n1 ZINC000089893495 388369858 /nfs/dbraw/zinc/36/98/58/388369858.db2.gz JIUQFSUQTNWICV-UHFFFAOYSA-N 0 0 240.257 2.646 50 0 BFAARN CS[C@H](C)CNC(=O)Nc1cccc(F)c1 ZINC000089901160 388371246 /nfs/dbraw/zinc/37/12/46/388371246.db2.gz VWZNOGUQNXCLPV-MRVPVSSYSA-N 0 0 242.319 2.699 50 0 BFAARN CCC/C=C/C(=O)NCc1ccc(OC)cc1 ZINC000003423580 388378538 /nfs/dbraw/zinc/37/85/38/388378538.db2.gz MTZZOZYPXYQYJY-AATRIKPKSA-N 0 0 233.311 2.668 50 0 BFAARN CNc1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1 ZINC000003547679 388381520 /nfs/dbraw/zinc/38/15/20/388381520.db2.gz HVKIXVPTIXRHDI-UHFFFAOYSA-N 0 0 249.339 2.999 50 0 BFAARN COC(=O)c1cccc(NC(=O)C2CCCC2)c1 ZINC000003559186 388383178 /nfs/dbraw/zinc/38/31/78/388383178.db2.gz ILTMMZVOMVGTMK-UHFFFAOYSA-N 0 0 247.294 2.602 50 0 BFAARN Cc1ccc(C)c(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000003749230 388386915 /nfs/dbraw/zinc/38/69/15/388386915.db2.gz IMCTXRPTEAQXML-ZDUSSCGKSA-N 0 0 247.338 2.600 50 0 BFAARN CC(C)CCCNC(=O)N1CCC(C)CC1 ZINC000059308145 388393978 /nfs/dbraw/zinc/39/39/78/388393978.db2.gz XHPKLJDSIPFVAV-UHFFFAOYSA-N 0 0 226.364 2.864 50 0 BFAARN Cc1ccc(C(=O)CCC(=O)NC2CC2)cc1C ZINC000008077326 388401453 /nfs/dbraw/zinc/40/14/53/388401453.db2.gz QTVCVDDAAGWEET-UHFFFAOYSA-N 0 0 245.322 2.545 50 0 BFAARN CC(=O)c1c(C)[nH]c(C(=O)OCC(C)C)c1C ZINC000008341575 388403815 /nfs/dbraw/zinc/40/38/15/388403815.db2.gz SKLLVZBODLFAJS-UHFFFAOYSA-N 0 0 237.299 2.647 50 0 BFAARN O=C(Nc1nccs1)N1CCCCCC1 ZINC000042652117 388444484 /nfs/dbraw/zinc/44/44/84/388444484.db2.gz KHHHQUXKCUBDHY-UHFFFAOYSA-N 0 0 225.317 2.551 50 0 BFAARN Cc1ccncc1NC(=O)Cc1ccc(F)cc1 ZINC000071847598 388446614 /nfs/dbraw/zinc/44/66/14/388446614.db2.gz ZJCNWLUJOQNFNF-UHFFFAOYSA-N 0 0 244.269 2.710 50 0 BFAARN CCCC(=O)NC(C)(C)Cc1ccccc1OC ZINC000071847661 388446735 /nfs/dbraw/zinc/44/67/35/388446735.db2.gz GPWSUKVXQYWWJN-UHFFFAOYSA-N 0 0 249.354 2.933 50 0 BFAARN Cc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)on1 ZINC000195344843 388467911 /nfs/dbraw/zinc/46/79/11/388467911.db2.gz XZQYOONIFQWNGX-NSHDSACASA-N 0 0 244.294 2.816 50 0 BFAARN CC(C)[C@H]1CN(C(=O)C(C)(C)C)CCS1 ZINC000076067377 388472143 /nfs/dbraw/zinc/47/21/43/388472143.db2.gz GQBWFTNWBIJZIH-SNVBAGLBSA-N 0 0 229.389 2.633 50 0 BFAARN CC(C)c1noc([C@@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000076040500 388472596 /nfs/dbraw/zinc/47/25/96/388472596.db2.gz AYJNNLQROCUWFZ-MXWKQRLJSA-N 0 0 249.358 2.842 50 0 BFAARN CCO[C@@H]1C[C@H](Nc2ccnc(C)n2)C12CCC2 ZINC000195531023 388477417 /nfs/dbraw/zinc/47/74/17/388477417.db2.gz MJXJMLWZXKLZPS-NWDGAFQWSA-N 0 0 247.342 2.545 50 0 BFAARN Cc1ccc2[nH]nc(-c3n[nH]c(C4CC4)n3)c2c1 ZINC000067756330 388407399 /nfs/dbraw/zinc/40/73/99/388407399.db2.gz IWJMILMPWZNAQD-UHFFFAOYSA-N 0 0 239.282 2.534 50 0 BFAARN C(c1nc(C2CCCC2)no1)C1CCOCC1 ZINC000172020848 388407485 /nfs/dbraw/zinc/40/74/85/388407485.db2.gz FDLZZMKZDZZKLR-UHFFFAOYSA-N 0 0 236.315 2.696 50 0 BFAARN C/C=C/C=C/C(=O)N[C@H]1CCOc2ccccc21 ZINC000039976127 388410827 /nfs/dbraw/zinc/41/08/27/388410827.db2.gz MCWCQEWWDGHTRI-OYWNETOHSA-N 0 0 243.306 2.759 50 0 BFAARN C[C@H](NC(=O)C1CC1)c1ccc(Cl)s1 ZINC000040074653 388411934 /nfs/dbraw/zinc/41/19/34/388411934.db2.gz GRVINRCELRCURX-LURJTMIESA-N 0 0 229.732 2.989 50 0 BFAARN CC(C)(C)C(=O)N[C@H]1CCCc2occc21 ZINC000069452444 388416957 /nfs/dbraw/zinc/41/69/57/388416957.db2.gz IGHSWHVUTTVQJY-JTQLQIEISA-N 0 0 221.300 2.819 50 0 BFAARN C[C@]1(C2CC2)NN=C(c2ccccc2)S1 ZINC000000432674 388417244 /nfs/dbraw/zinc/41/72/44/388417244.db2.gz NSYZZGAACDBMJT-LBPRGKRZSA-N 0 0 218.325 2.811 50 0 BFAARN O=C(CC[C@H]1CCCO1)Nc1cccc(F)c1 ZINC000040505862 388419225 /nfs/dbraw/zinc/41/92/25/388419225.db2.gz FVORHNUFVULIAF-GFCCVEGCSA-N 0 0 237.274 2.723 50 0 BFAARN CC(C)C[C@@H](C)N(C)C(=O)CC[C@H]1CCCO1 ZINC000040508851 388419547 /nfs/dbraw/zinc/41/95/47/388419547.db2.gz NDNVIEWESSBOOK-CHWSQXEVSA-N 0 0 241.375 2.839 50 0 BFAARN Cc1cnccc1NC(=O)c1ccccc1F ZINC000069532077 388420198 /nfs/dbraw/zinc/42/01/98/388420198.db2.gz IEUDCKZMNOWRQZ-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN CSCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000009219159 388423980 /nfs/dbraw/zinc/42/39/80/388423980.db2.gz SROCLWBBXVRBAF-ZDUSSCGKSA-N 0 0 249.379 2.933 50 0 BFAARN CON(C)C(=O)c1cc(SC)ccc1Cl ZINC000070153377 388433734 /nfs/dbraw/zinc/43/37/34/388433734.db2.gz JPDIWMXYIFPNNN-UHFFFAOYSA-N 0 0 245.731 2.695 50 0 BFAARN CCN(C(=O)C(C)C)c1ccc(F)cc1 ZINC000070243142 388434967 /nfs/dbraw/zinc/43/49/67/388434967.db2.gz PJYACGNDCNSGPJ-UHFFFAOYSA-N 0 0 209.264 2.835 50 0 BFAARN CCN(CC)C(=O)c1ccc(SC)cc1 ZINC000070238392 388435025 /nfs/dbraw/zinc/43/50/25/388435025.db2.gz NEPMAHNIEFMJQD-UHFFFAOYSA-N 0 0 223.341 2.891 50 0 BFAARN Cc1ccc2nc(NC(=O)N(C)C)sc2c1 ZINC000041566079 388437821 /nfs/dbraw/zinc/43/78/21/388437821.db2.gz PDESXHCMRWRFIL-UHFFFAOYSA-N 0 0 235.312 2.698 50 0 BFAARN Cc1nc(C)c(CNc2ncc(C)c(C)n2)s1 ZINC000270767084 388503928 /nfs/dbraw/zinc/50/39/28/388503928.db2.gz KTCPHSUZUIZQMY-UHFFFAOYSA-N 0 0 248.355 2.779 50 0 BFAARN C[C@H]1c2cccn2CCN1C(=O)C[C@@H]1C=CCC1 ZINC000032753041 388517758 /nfs/dbraw/zinc/51/77/58/388517758.db2.gz GMRLOLOEEYTORO-QWHCGFSZSA-N 0 0 244.338 2.748 50 0 BFAARN Cc1ccc(Cn2nnc3ccccc32)cc1 ZINC000000148716 388592456 /nfs/dbraw/zinc/59/24/56/388592456.db2.gz FORQSHUGQDJPRJ-UHFFFAOYSA-N 0 0 223.279 2.788 50 0 BFAARN Cc1ccc(F)c(CNc2ncccn2)c1 ZINC000225479587 388594783 /nfs/dbraw/zinc/59/47/83/388594783.db2.gz KIIJNPPWUKZRIJ-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN CC(C)(C)C(C)(C)C(=O)NCCc1cccnc1 ZINC000341522778 388596544 /nfs/dbraw/zinc/59/65/44/388596544.db2.gz FFBLLWJIDOJZAS-UHFFFAOYSA-N 0 0 248.370 2.813 50 0 BFAARN O=C(CC1CCSCC1)N1CCCCC1 ZINC000082301224 388612442 /nfs/dbraw/zinc/61/24/42/388612442.db2.gz YNUMCZDKUOTDDV-UHFFFAOYSA-N 0 0 227.373 2.532 50 0 BFAARN Fc1cc(OCc2ccccc2)ccn1 ZINC000091301332 388613346 /nfs/dbraw/zinc/61/33/46/388613346.db2.gz UHYQXPXLOCDLDN-UHFFFAOYSA-N 0 0 203.216 2.800 50 0 BFAARN Cc1cc(C(=O)Nc2cccc(O)c2)c(C)o1 ZINC000000194769 388577287 /nfs/dbraw/zinc/57/72/87/388577287.db2.gz GWGHIELBFHACFO-UHFFFAOYSA-N 0 0 231.251 2.854 50 0 BFAARN Cc1ccc(C=Cc2ccc(=O)[nH]n2)cc1 ZINC000008773074 388671619 /nfs/dbraw/zinc/67/16/19/388671619.db2.gz PIAGLTZTUCTOFR-VOTSOKGWSA-N 0 0 212.252 2.661 50 0 BFAARN C[C@@H](NC(=O)CC(C)(C)C)c1cccnc1 ZINC000054458911 388624221 /nfs/dbraw/zinc/62/42/21/388624221.db2.gz CKGQJAWBNHSLOR-SNVBAGLBSA-N 0 0 220.316 2.695 50 0 BFAARN Cc1ccc(F)cc1NCc1ncccn1 ZINC000054458998 388624539 /nfs/dbraw/zinc/62/45/39/388624539.db2.gz VDCSVUVPUWSVJQ-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN Cc1nc(COc2ccc(F)cc2Cl)no1 ZINC000057685571 388629187 /nfs/dbraw/zinc/62/91/87/388629187.db2.gz BLSOVTJMRVFBEA-UHFFFAOYSA-N 0 0 242.637 2.750 50 0 BFAARN O=C(NC(C1CC1)C1CC1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000089817868 388740287 /nfs/dbraw/zinc/74/02/87/388740287.db2.gz MZJGSQNNXSFSIX-BETUJISGSA-N 0 0 248.370 2.617 50 0 BFAARN CC(C)Cc1csc(-c2cnn(C)c2)n1 ZINC000079048440 388743966 /nfs/dbraw/zinc/74/39/66/388743966.db2.gz GSRUDPZKMWBGPV-UHFFFAOYSA-N 0 0 221.329 2.742 50 0 BFAARN CC(C)c1ccn(-c2ccccc2O)n1 ZINC000070675406 388696154 /nfs/dbraw/zinc/69/61/54/388696154.db2.gz OPEZLWMYSCIILN-UHFFFAOYSA-N 0 0 202.257 2.701 50 0 BFAARN Nc1cc(C(F)(F)F)cc2cccnc12 ZINC000165525598 388699099 /nfs/dbraw/zinc/69/90/99/388699099.db2.gz OWBHAJLHWDFULE-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN Cc1cc(Br)c(F)cc1O ZINC000135079200 388699163 /nfs/dbraw/zinc/69/91/63/388699163.db2.gz SHRYKVVPIPGXCZ-UHFFFAOYSA-N 0 0 205.026 2.602 50 0 BFAARN COC(=O)c1ccc2ccccc2c1C ZINC000113381326 388699803 /nfs/dbraw/zinc/69/98/03/388699803.db2.gz RJCOLHYGLMOBPX-UHFFFAOYSA-N 0 0 200.237 2.935 50 0 BFAARN CC(C)CCC1CC[NH+]([C@@H](C)C(=O)[O-])CC1 ZINC000225455560 388702377 /nfs/dbraw/zinc/70/23/77/388702377.db2.gz PYTXFCKOCWNVEQ-NSHDSACASA-N 0 0 227.348 2.608 50 0 BFAARN Cc1nc(C(=O)Oc2ccc(F)cc2)cs1 ZINC000069312039 388721983 /nfs/dbraw/zinc/72/19/83/388721983.db2.gz DTVIZEYZBOGWSO-UHFFFAOYSA-N 0 0 237.255 2.810 50 0 BFAARN Cc1ccc(C(=O)Nc2c(O)cccc2F)o1 ZINC000095962397 388795664 /nfs/dbraw/zinc/79/56/64/388795664.db2.gz MGHRVCBNQNRDFW-UHFFFAOYSA-N 0 0 235.214 2.685 50 0 BFAARN FC(F)(F)c1csc(NCC2CC2)n1 ZINC000095971856 388798157 /nfs/dbraw/zinc/79/81/57/388798157.db2.gz ABEBWLCRZHGIPZ-UHFFFAOYSA-N 0 0 222.235 2.984 50 0 BFAARN Cc1ccccc1C(=O)NC(C)(C)C(C)(C)CO ZINC000096006403 388804263 /nfs/dbraw/zinc/80/42/63/388804263.db2.gz HSWLLNQUOQDGTD-UHFFFAOYSA-N 0 0 249.354 2.522 50 0 BFAARN CO[C@@H](CNC(=O)C(C)(C)C)c1ccccc1C ZINC000096104907 388809381 /nfs/dbraw/zinc/80/93/81/388809381.db2.gz LBEVDZDHVPXSQR-ZDUSSCGKSA-N 0 0 249.354 2.845 50 0 BFAARN CSCCOC(=O)c1cc(SC)c(C)o1 ZINC000095405047 388765435 /nfs/dbraw/zinc/76/54/35/388765435.db2.gz RYLJXFKLGMYBKN-UHFFFAOYSA-N 0 0 246.353 2.830 50 0 BFAARN Cc1cnc(COC(=O)c2ccc(C)s2)o1 ZINC000095405199 388765461 /nfs/dbraw/zinc/76/54/61/388765461.db2.gz FRBUUOZCYDFYGH-UHFFFAOYSA-N 0 0 237.280 2.710 50 0 BFAARN CC(C)(C)c1nccc(NCc2ccncc2)n1 ZINC000095416428 388767495 /nfs/dbraw/zinc/76/74/95/388767495.db2.gz IEZNOWQNESDKMW-UHFFFAOYSA-N 0 0 242.326 2.781 50 0 BFAARN COCc1c(Cl)cccc1NC(=O)C1CC1 ZINC000095414306 388767503 /nfs/dbraw/zinc/76/75/03/388767503.db2.gz FYZIMLFQXQZVSC-UHFFFAOYSA-N 0 0 239.702 2.835 50 0 BFAARN Cc1noc(C)c1Cc1nc(C2CCCC2)no1 ZINC000020914623 388787784 /nfs/dbraw/zinc/78/77/84/388787784.db2.gz PVYFNJXHMMTGJX-UHFFFAOYSA-N 0 0 247.298 2.923 50 0 BFAARN O=C(CCSc1ccccc1)Nc1ncco1 ZINC000095941703 388790924 /nfs/dbraw/zinc/79/09/24/388790924.db2.gz WZSWQJWNAKEMSA-UHFFFAOYSA-N 0 0 248.307 2.796 50 0 BFAARN COC(=O)/C(=C\c1ccsc1)c1ccncc1 ZINC000096297244 388814594 /nfs/dbraw/zinc/81/45/94/388814594.db2.gz LTHQYGZJZZBLTC-WQLSENKSSA-N 0 0 245.303 2.857 50 0 BFAARN CC(C)c1nc2nccc(-c3ccco3)n2n1 ZINC000096344168 388815954 /nfs/dbraw/zinc/81/59/54/388815954.db2.gz XNFIBMNPFNCDHO-UHFFFAOYSA-N 0 0 228.255 2.508 50 0 BFAARN CC(=O)OC[C@]12CC=C(C)[C@H]([C@@H](C)OC1)[C@H]2C ZINC000002139236 388817368 /nfs/dbraw/zinc/81/73/68/388817368.db2.gz KSCMOJQRHWGLDT-RFHZTLPTSA-N 0 0 238.327 2.557 50 0 biogenic BFAARN CSC[C@H](C)C(=O)NC/C=C\c1ccccc1 ZINC000096457124 388820265 /nfs/dbraw/zinc/82/02/65/388820265.db2.gz ODSDBFBXTHXLPS-PWWFUAJNSA-N 0 0 249.379 2.815 50 0 BFAARN Cc1ccnc(NC(=O)N2CCC(C)CC2)c1 ZINC000096502459 388821168 /nfs/dbraw/zinc/82/11/68/388821168.db2.gz YSYDTCZGBWEPLF-UHFFFAOYSA-N 0 0 233.315 2.654 50 0 BFAARN CO[C@@H]1CCC[C@H](OC(=O)CC(C)(C)C)C1 ZINC000097043846 388829664 /nfs/dbraw/zinc/82/96/64/388829664.db2.gz IHIGGSOXCMITHM-MNOVXSKESA-N 0 0 228.332 2.923 50 0 BFAARN CSc1cc(C(=O)OC2CCC2)ccn1 ZINC000097049048 388831543 /nfs/dbraw/zinc/83/15/43/388831543.db2.gz OYEYESYDMSMFPF-UHFFFAOYSA-N 0 0 223.297 2.513 50 0 BFAARN Cc1cc(C=C2SC(=S)NC2=O)c(C)[nH]1 ZINC000000976678 177699506 /nfs/dbraw/zinc/69/95/06/177699506.db2.gz YNRINJTUILGZIP-XBXARRHUSA-N 0 0 238.337 2.961 50 0 BFAARN COC(=O)CCCc1nc(CC2CC2)cs1 ZINC000252489194 388860615 /nfs/dbraw/zinc/86/06/15/388860615.db2.gz JKAMHSWVPDUMJE-UHFFFAOYSA-N 0 0 239.340 2.591 50 0 BFAARN Cc1ccc(Cl)cc1N1C(=O)CCCC1=O ZINC000002147744 132291885 /nfs/dbraw/zinc/29/18/85/132291885.db2.gz TWTVDOAMMBGXEC-UHFFFAOYSA-N 0 0 237.686 2.692 50 0 BFAARN Cc1csc2c1ncnc2N1CCCCC1 ZINC000000082166 132292350 /nfs/dbraw/zinc/29/23/50/132292350.db2.gz LXIDSKZPUDELPZ-UHFFFAOYSA-N 0 0 233.340 2.990 50 0 BFAARN COc1cccc(N2C=CC(C)(C)NC2=S)c1 ZINC000000111331 132312578 /nfs/dbraw/zinc/31/25/78/132312578.db2.gz ZVMIGZIYLQTBOU-UHFFFAOYSA-N 0 0 248.351 2.682 50 0 BFAARN CC1CCN(c2ncnc3ccccc32)CC1 ZINC000000037411 132312590 /nfs/dbraw/zinc/31/25/90/132312590.db2.gz AWNQRPBJBSHQCI-UHFFFAOYSA-N 0 0 227.311 2.866 50 0 BFAARN CN1c2ccccc2C(=O)N[C@@H]1c1ccccc1 ZINC000008744613 132319146 /nfs/dbraw/zinc/31/91/46/132319146.db2.gz GGASRPKQQISEKD-AWEZNQCLSA-N 0 0 238.290 2.565 50 0 BFAARN Cc1ccc(N2CCCC[C@@H]2C)c(N)c1 ZINC000008702595 132319237 /nfs/dbraw/zinc/31/92/37/132319237.db2.gz SKIXZIHSNVILJZ-NSHDSACASA-N 0 0 204.317 2.956 50 0 BFAARN Cc1cc(N2CCCc3ccccc32)ncn1 ZINC000011903100 132320997 /nfs/dbraw/zinc/32/09/97/132320997.db2.gz NXOJVFNTEHZEHJ-UHFFFAOYSA-N 0 0 225.295 2.869 50 0 BFAARN Nc1cccnc1N1CCCc2ccccc21 ZINC000019260661 132324343 /nfs/dbraw/zinc/32/43/43/132324343.db2.gz JTONFOPTVPIWOA-UHFFFAOYSA-N 0 0 225.295 2.748 50 0 BFAARN CCCCNc1ccc(N2CCOCC2)cc1 ZINC000020143838 132330251 /nfs/dbraw/zinc/33/02/51/132330251.db2.gz YMTYPMPBXZYCSG-UHFFFAOYSA-N 0 0 234.343 2.735 50 0 BFAARN C[C@H]1CCCCN1c1ccc(N)cc1F ZINC000020135738 132330288 /nfs/dbraw/zinc/33/02/88/132330288.db2.gz RBKAJYHQGRRHKQ-VIFPVBQESA-N 0 0 208.280 2.787 50 0 BFAARN CC(=O)NCc1ccccc1N1CCC(C)CC1 ZINC000024605920 132333348 /nfs/dbraw/zinc/33/33/48/132333348.db2.gz GRDUTQBQLFIZEG-UHFFFAOYSA-N 0 0 246.354 2.559 50 0 BFAARN Cc1occc1C(=O)N1CCOc2ccccc21 ZINC000036763858 132342547 /nfs/dbraw/zinc/34/25/47/132342547.db2.gz SEFIGVHFIXWOOB-UHFFFAOYSA-N 0 0 243.262 2.627 50 0 BFAARN c1ccc(CN2CCNc3cccnc32)cc1 ZINC000045795976 132354765 /nfs/dbraw/zinc/35/47/65/132354765.db2.gz OELIHSDDDNXLGH-UHFFFAOYSA-N 0 0 225.295 2.514 50 0 BFAARN Cc1ccccc1N1C=CC(C)(C)NC1=S ZINC000056656608 132365700 /nfs/dbraw/zinc/36/57/00/132365700.db2.gz KUTGUNKTDVMNJS-UHFFFAOYSA-N 0 0 232.352 2.982 50 0 BFAARN COc1ccccc1N1C=CC(C)(C)NC1=S ZINC000056656517 132365729 /nfs/dbraw/zinc/36/57/29/132365729.db2.gz PXNMNFBONJYQDJ-UHFFFAOYSA-N 0 0 248.351 2.682 50 0 BFAARN O[C@@H]1Cc2ccccc2N(c2ccccc2)C1 ZINC000071773065 132395424 /nfs/dbraw/zinc/39/54/24/132395424.db2.gz QIUKNCLOOBFEAK-CQSZACIVSA-N 0 0 225.291 2.742 50 0 BFAARN O[C@H]1Cc2ccccc2N(c2ccccc2)C1 ZINC000071773066 132395596 /nfs/dbraw/zinc/39/55/96/132395596.db2.gz QIUKNCLOOBFEAK-AWEZNQCLSA-N 0 0 225.291 2.742 50 0 BFAARN C[C@H]1COc2ccccc2N1C(=O)C1CC=CC1 ZINC000072532234 132396997 /nfs/dbraw/zinc/39/69/97/132396997.db2.gz YGKFQNHEHMZRES-NSHDSACASA-N 0 0 243.306 2.767 50 0 BFAARN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc[nH]1 ZINC000032744549 133745457 /nfs/dbraw/zinc/74/54/57/133745457.db2.gz HPVARFPPYQLTSM-UHFFFAOYSA-N 0 0 248.713 2.940 50 0 BFAARN C[C@@H](NC(=O)[C@H]1CC=CCC1)C(C)(F)F ZINC000335471498 133878650 /nfs/dbraw/zinc/87/86/50/133878650.db2.gz RVAVYUUDPXNMFQ-BDAKNGLRSA-N 0 0 217.259 2.503 50 0 BFAARN O=C(N[C@H]1C=CCCC1)[C@H]1CCC(F)(F)C1 ZINC000336082630 134075823 /nfs/dbraw/zinc/07/58/23/134075823.db2.gz WUEBKKQLBAHNSN-UWVGGRQHSA-N 0 0 229.270 2.647 50 0 BFAARN O=C(CC1CC(F)(F)C1)N[C@@H]1CC=CCC1 ZINC000336209091 134133740 /nfs/dbraw/zinc/13/37/40/134133740.db2.gz KGBZKEYZXFQTDR-SNVBAGLBSA-N 0 0 229.270 2.647 50 0 BFAARN Cc1ccnc(NCCCOC2CCCCC2)n1 ZINC000095391278 134441950 /nfs/dbraw/zinc/44/19/50/134441950.db2.gz QUWJONHZKMYOCS-UHFFFAOYSA-N 0 0 249.358 2.936 50 0 BFAARN Cn1cccc1[C@@H]1COCCN1[C@@H]1C=CCCC1 ZINC000249087369 135031885 /nfs/dbraw/zinc/03/18/85/135031885.db2.gz CGVCALGOFTZFEH-HIFRSBDPSA-N 0 0 246.354 2.507 50 0 BFAARN CCC(CC)(C[NH2+][C@H]1CC[C@@H](C)C1)C(=O)[O-] ZINC000263061115 135329592 /nfs/dbraw/zinc/32/95/92/135329592.db2.gz MVDCRSGIRHZYEJ-MNOVXSKESA-N 0 0 227.348 2.656 50 0 BFAARN FC1=CCCN(c2cnc3ccccc3n2)C1 ZINC000334276721 135332914 /nfs/dbraw/zinc/33/29/14/135332914.db2.gz CWKZOAFKCUJHPP-UHFFFAOYSA-N 0 0 229.258 2.693 50 0 BFAARN C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](CCC2CCCC2)C1 ZINC000263344240 135347996 /nfs/dbraw/zinc/34/79/96/135347996.db2.gz OEESEFVVLGMYCO-YPMHNXCESA-N 0 0 239.359 2.609 50 0 BFAARN Cc1ccc(C)c(C=C2SC(=O)NC2=O)c1 ZINC000007154771 397929985 /nfs/dbraw/zinc/92/99/85/397929985.db2.gz XASFGLPKPVHGOH-POHAHGRESA-N 0 0 233.292 2.627 50 0 BFAARN Cc1ccc(C)c(CC(=O)NC2CCCC2)c1 ZINC000020458186 397965609 /nfs/dbraw/zinc/96/56/09/397965609.db2.gz RTEXSIRNXBRHFF-UHFFFAOYSA-N 0 0 231.339 2.905 50 0 BFAARN C[C@H](NC(=O)c1ccc(F)cc1)c1ccccn1 ZINC000012545335 397905041 /nfs/dbraw/zinc/90/50/41/397905041.db2.gz XBQZKVCYMCJALN-JTQLQIEISA-N 0 0 244.269 2.712 50 0 BFAARN O=C(/C=C/c1ccc(F)cc1)Nc1nccs1 ZINC000000432915 397914708 /nfs/dbraw/zinc/91/47/08/397914708.db2.gz VXGDPSPESYBVCJ-ZZXKWVIFSA-N 0 0 248.282 2.934 50 0 BFAARN CC(C)c1ccccc1NC(=O)c1cnccn1 ZINC000000436943 397915200 /nfs/dbraw/zinc/91/52/00/397915200.db2.gz VXHSJMXTRBPMIZ-UHFFFAOYSA-N 0 0 241.294 2.852 50 0 BFAARN COc1ccc(C(=O)c2ccccc2)c(OC)c1 ZINC000000439244 397915536 /nfs/dbraw/zinc/91/55/36/397915536.db2.gz WWVXYKPKRAMYDP-UHFFFAOYSA-N 0 0 242.274 2.935 50 0 BFAARN CC(=O)NCCOc1cc(C(C)C)ccc1C ZINC000020395766 397964096 /nfs/dbraw/zinc/96/40/96/397964096.db2.gz IJKKPBJRPFDKGA-UHFFFAOYSA-N 0 0 235.327 2.633 50 0 BFAARN Cc1ccc(C(=O)Nc2cc(F)cc(F)c2)cn1 ZINC000022472430 397974420 /nfs/dbraw/zinc/97/44/20/397974420.db2.gz DAEDPSBGMKEPOC-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN CCSc1nncn1-c1ccccc1C ZINC000058737406 398074163 /nfs/dbraw/zinc/07/41/63/398074163.db2.gz AFENUBAFIKKQDF-UHFFFAOYSA-N 0 0 219.313 2.688 50 0 BFAARN O=Cc1cc(C(F)(F)F)cnc1Cl ZINC000065337498 398083074 /nfs/dbraw/zinc/08/30/74/398083074.db2.gz DSJPRZOKABVBLR-UHFFFAOYSA-N 0 0 209.554 2.566 50 0 BFAARN Cc1ccc(F)cc1C(=O)Nc1ccncc1F ZINC000095975725 398089603 /nfs/dbraw/zinc/08/96/03/398089603.db2.gz LVPYAUPVNHCHBF-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN FC(F)c1ncccc1Br ZINC000066323383 398090835 /nfs/dbraw/zinc/09/08/35/398090835.db2.gz MDRUEFNPMGSINM-UHFFFAOYSA-N 0 0 208.005 2.782 50 0 BFAARN Cc1c(F)cccc1NCc1ncccn1 ZINC000054459626 398098957 /nfs/dbraw/zinc/09/89/57/398098957.db2.gz WJULIZNGKVHHMZ-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN Cc1cc(C)cc(-c2nnc([C@H]3CCOC3)o2)c1 ZINC000064556941 487563020 /nfs/dbraw/zinc/56/30/20/487563020.db2.gz CXBPDNBYFQBXGG-NSHDSACASA-N 0 0 244.294 2.857 50 0 BFAARN C[C@H]1CCCCN1Cc1nnsc1Cl ZINC000035165111 177078494 /nfs/dbraw/zinc/07/84/94/177078494.db2.gz ULFCFALXUMIMCU-ZETCQYMHSA-N 0 0 231.752 2.566 50 0 BFAARN CC(C)Cc1nc(-c2cc(C(C)C)on2)n[nH]1 ZINC000065505270 409992399 /nfs/dbraw/zinc/99/23/99/409992399.db2.gz IOVVEKCDUPRYJN-UHFFFAOYSA-N 0 0 234.303 2.782 50 0 BFAARN Brc1cc2ccccc2cn1 ZINC000014982273 166095488 /nfs/dbraw/zinc/09/54/88/166095488.db2.gz ZWJYXJDEDLXUHU-UHFFFAOYSA-N 0 0 208.058 2.997 50 0 BFAARN Brc1cc(-c2ccccc2)n[nH]1 ZINC000095704716 166096000 /nfs/dbraw/zinc/09/60/00/166096000.db2.gz UHFVURICDHUWHP-UHFFFAOYSA-N 0 0 223.073 2.839 50 0 BFAARN Brc1c[nH]c(-c2ccccc2)n1 ZINC000022126060 166096422 /nfs/dbraw/zinc/09/64/22/166096422.db2.gz IXVCTTCVYGDFSO-UHFFFAOYSA-N 0 0 223.073 2.839 50 0 BFAARN Brc1ccc(-n2cccn2)cc1 ZINC000016125174 166097731 /nfs/dbraw/zinc/09/77/31/166097731.db2.gz SQCVGDMTHFQUKS-UHFFFAOYSA-N 0 0 223.073 2.635 50 0 BFAARN Brc1ccc(-c2csnn2)cc1 ZINC000000158839 166097930 /nfs/dbraw/zinc/09/79/30/166097930.db2.gz HGWOTVRPRHVJQK-UHFFFAOYSA-N 0 0 241.113 2.968 50 0 BFAARN Brc1ccc(SC[C@@H]2CO2)cc1 ZINC000037381622 166099753 /nfs/dbraw/zinc/09/97/53/166099753.db2.gz YKAVUOZXTJFTQQ-QMMMGPOBSA-N 0 0 245.141 2.940 50 0 BFAARN Brc1ccc2c(c1)CCCN2 ZINC000002534099 166099904 /nfs/dbraw/zinc/09/99/04/166099904.db2.gz WEHMHBSITKCQBY-UHFFFAOYSA-N 0 0 212.090 2.807 50 0 BFAARN Brc1cccnc1OC1CCC1 ZINC000050521117 166102728 /nfs/dbraw/zinc/10/27/28/166102728.db2.gz FFKOZSRDMOJHEG-UHFFFAOYSA-N 0 0 228.089 2.775 50 0 BFAARN Brc1cncn1Cc1ccccc1 ZINC000091361812 166105545 /nfs/dbraw/zinc/10/55/45/166105545.db2.gz BTRXUOMSVCJYPE-UHFFFAOYSA-N 0 0 237.100 2.694 50 0 BFAARN Cc1cnc(CNc2cccc(F)c2)nc1 ZINC000335597402 410451097 /nfs/dbraw/zinc/45/10/97/410451097.db2.gz UCSKMPYJSPNYAJ-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN C/C(=C/C(=O)N(C)C)CCc1ccccc1 ZINC000069492400 166231137 /nfs/dbraw/zinc/23/11/37/166231137.db2.gz JMYJYLIFJJXYAJ-QXMHVHEDSA-N 0 0 217.312 2.654 50 0 BFAARN CCN(CC)C(=O)Nc1ccc(C)cc1OC ZINC000072015919 169754963 /nfs/dbraw/zinc/75/49/63/169754963.db2.gz VQQSLSCDRKQPPR-UHFFFAOYSA-N 0 0 236.315 2.877 50 0 BFAARN CCN(CC)C(=O)Nc1ccc(C)cc1 ZINC000000396202 169755176 /nfs/dbraw/zinc/75/51/76/169755176.db2.gz OPBIREAJBRDHDZ-UHFFFAOYSA-N 0 0 206.289 2.869 50 0 BFAARN CCN(CC)C(=O)c1ccccc1Cl ZINC000000126147 169760929 /nfs/dbraw/zinc/76/09/29/169760929.db2.gz MZJHBUKIOBJCAW-UHFFFAOYSA-N 0 0 211.692 2.822 50 0 BFAARN CC(=O)c1ccc(-c2ccc(C=O)o2)cc1 ZINC000002565463 166450101 /nfs/dbraw/zinc/45/01/01/166450101.db2.gz BVPMCORRAXYAAT-UHFFFAOYSA-N 0 0 214.220 2.962 50 0 BFAARN CC(=O)c1ccccc1NC(=O)c1cccnc1 ZINC000019478290 166481476 /nfs/dbraw/zinc/48/14/76/166481476.db2.gz UXTFMNPOJWDPSI-UHFFFAOYSA-N 0 0 240.262 2.537 50 0 BFAARN CC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000071873571 166490490 /nfs/dbraw/zinc/49/04/90/166490490.db2.gz UJXXBJRNTFTYRK-UHFFFAOYSA-N 0 0 223.581 2.956 50 0 BFAARN CC(C)(C)CNc1nnc(-c2ccncc2)o1 ZINC000191526448 166593114 /nfs/dbraw/zinc/59/31/14/166593114.db2.gz BDXGXQQJDIFRIN-UHFFFAOYSA-N 0 0 232.287 2.590 50 0 BFAARN CC(C)(C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000000301261 166625271 /nfs/dbraw/zinc/62/52/71/166625271.db2.gz TZBSBJOHRGVDKB-NEPJUHHUSA-N 0 0 217.312 2.705 50 0 BFAARN CC(C)(C)NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000065427977 166626337 /nfs/dbraw/zinc/62/63/37/166626337.db2.gz HTLPADKOTVVHMM-UHFFFAOYSA-N 0 0 249.339 2.667 50 0 BFAARN CC(C)(C)NC(=O)c1ccccc1Cl ZINC000000260721 166628404 /nfs/dbraw/zinc/62/84/04/166628404.db2.gz BYWGSUJLXJLBLY-UHFFFAOYSA-N 0 0 211.692 2.868 50 0 BFAARN CC(C)(C)OC(=O)N1CCc2cccc(C=O)c21 ZINC000001394483 166654544 /nfs/dbraw/zinc/65/45/44/166654544.db2.gz KUYIMEZLCAWOMI-UHFFFAOYSA-N 0 0 247.294 2.797 50 0 BFAARN CC(C)(C)OC(=O)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000064038042 166657530 /nfs/dbraw/zinc/65/75/30/166657530.db2.gz BQRMVHVRBBRSOH-GHMZBOCLSA-N 0 0 223.316 2.820 50 0 BFAARN CC(C)(C)OC(=O)N1Cc2ccc(O)cc2C1 ZINC000059722711 166658248 /nfs/dbraw/zinc/65/82/48/166658248.db2.gz QLHANXZSEULFFM-UHFFFAOYSA-N 0 0 235.283 2.643 50 0 BFAARN CC(C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000032975268 166713402 /nfs/dbraw/zinc/71/34/02/166713402.db2.gz JHTPNWMXKSQEDQ-JTQLQIEISA-N 0 0 203.285 2.620 50 0 BFAARN CC(C)CC(=O)Nc1noc2ccccc21 ZINC000009667572 166772988 /nfs/dbraw/zinc/77/29/88/166772988.db2.gz BXRJDJPZFJJBJB-UHFFFAOYSA-N 0 0 218.256 2.812 50 0 BFAARN CC/C=C(\C)C(=O)N[C@H](C)Cc1ccco1 ZINC000101395778 410768061 /nfs/dbraw/zinc/76/80/61/410768061.db2.gz LFOFZKBLJQIFMX-CDCCAWJDSA-N 0 0 221.300 2.683 50 0 BFAARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccccc1F ZINC000101666231 410786034 /nfs/dbraw/zinc/78/60/34/410786034.db2.gz VUHAHEXRCSWPTM-NXEZZACHSA-N 0 0 247.269 2.505 50 0 BFAARN CC(C)CCNC(=O)c1ccc2ccn(C)c2c1 ZINC000040288519 166856278 /nfs/dbraw/zinc/85/62/78/166856278.db2.gz BDOQSHZXLBLSTQ-UHFFFAOYSA-N 0 0 244.338 2.954 50 0 BFAARN C/C(=C\C(=O)N(C)C)CCc1ccccc1 ZINC000102081447 410814209 /nfs/dbraw/zinc/81/42/09/410814209.db2.gz JMYJYLIFJJXYAJ-VAWYXSNFSA-N 0 0 217.312 2.654 50 0 BFAARN C[C@H]1CCCC[C@@H]1N(C)C(=O)C1CCC1 ZINC000040497946 410877637 /nfs/dbraw/zinc/87/76/37/410877637.db2.gz MCYBJECHWLBUNT-JQWIXIFHSA-N 0 0 209.333 2.824 50 0 BFAARN CC(C)CNC(=S)Nc1ccccc1 ZINC000005421221 167001725 /nfs/dbraw/zinc/00/17/25/167001725.db2.gz GYLIWROUPTWSLA-UHFFFAOYSA-N 0 0 208.330 2.629 50 0 BFAARN CC(C)NC(=O)CCc1cccc2[nH]ccc21 ZINC000075550434 167047000 /nfs/dbraw/zinc/04/70/00/167047000.db2.gz MMDHQIAKFDDBJW-UHFFFAOYSA-N 0 0 230.311 2.625 50 0 BFAARN CC(C)NC(=O)COc1ccccc1C(C)(C)C ZINC000005381091 167063203 /nfs/dbraw/zinc/06/32/03/167063203.db2.gz WXXCVCILWAFGPK-UHFFFAOYSA-N 0 0 249.354 2.888 50 0 BFAARN CC(C)NC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000038567316 167070428 /nfs/dbraw/zinc/07/04/28/167070428.db2.gz SENRZAURNKMSJK-CYBMUJFWSA-N 0 0 232.327 2.594 50 0 BFAARN CC(C)NC(=O)[C@@H](C)SCc1ccccc1 ZINC000000379730 167080979 /nfs/dbraw/zinc/08/09/79/167080979.db2.gz ZUBJFVQHAUULMC-LLVKDONJSA-N 0 0 237.368 2.833 50 0 BFAARN CC(C)NC(=O)c1cc(F)c(F)cc1Cl ZINC000012382591 167084724 /nfs/dbraw/zinc/08/47/24/167084724.db2.gz FSVWZZKLMHNFBN-UHFFFAOYSA-N 0 0 233.645 2.756 50 0 BFAARN CC(C)NC(=O)c1cc(C2CC2)nn1C(C)(C)C ZINC000047703126 167085144 /nfs/dbraw/zinc/08/51/44/167085144.db2.gz DIEPRZRMEFADHJ-UHFFFAOYSA-N 0 0 249.358 2.654 50 0 BFAARN CC(C)NC(=O)c1cccc2c1SCCC2=O ZINC000021102915 167090099 /nfs/dbraw/zinc/09/00/99/167090099.db2.gz FGWWBIMCEMSTOJ-UHFFFAOYSA-N 0 0 249.335 2.503 50 0 BFAARN CC(C)NC(=O)c1cnc(-c2ccccc2)s1 ZINC000046768302 167090578 /nfs/dbraw/zinc/09/05/78/167090578.db2.gz MAELAINUZRBVPG-UHFFFAOYSA-N 0 0 246.335 2.948 50 0 BFAARN CC(C)Nc1cc(=O)oc2ccccc12 ZINC000000337355 167141591 /nfs/dbraw/zinc/14/15/91/167141591.db2.gz LJTNJXOQDQAHGN-UHFFFAOYSA-N 0 0 203.241 2.613 50 0 BFAARN CC(C)Nc1ccc(C(F)(F)F)cn1 ZINC000020638961 167144655 /nfs/dbraw/zinc/14/46/55/167144655.db2.gz XREHFRWADMHXHK-UHFFFAOYSA-N 0 0 204.195 2.921 50 0 BFAARN CC(C)Nc1cnc2c(cnn2C(C)C)c1 ZINC000020148129 167149157 /nfs/dbraw/zinc/14/91/57/167149157.db2.gz UBNCSGXTPAHDLA-UHFFFAOYSA-N 0 0 218.304 2.833 50 0 BFAARN CC(C)OCCCCNC(=O)CC(C)(C)C ZINC000096008716 167203569 /nfs/dbraw/zinc/20/35/69/167203569.db2.gz WAJBDNJZLIUHOP-UHFFFAOYSA-N 0 0 229.364 2.744 50 0 BFAARN CC(C)Oc1cccc(Br)n1 ZINC000016677920 167305381 /nfs/dbraw/zinc/30/53/81/167305381.db2.gz RBQOILDHZGNUQT-UHFFFAOYSA-N 0 0 216.078 2.631 50 0 BFAARN CC(C)[C@@H](C)Nc1cccc(-c2nc[nH]n2)c1 ZINC000097038192 167388338 /nfs/dbraw/zinc/38/83/38/167388338.db2.gz QFWWHYRMPWDMNS-SNVBAGLBSA-N 0 0 230.315 2.928 50 0 BFAARN CC(C)c1ccc(Cn2cc(N)cn2)cc1 ZINC000026514314 167601036 /nfs/dbraw/zinc/60/10/36/167601036.db2.gz CSWZUCQGYNQDGH-UHFFFAOYSA-N 0 0 215.300 2.637 50 0 BFAARN CNC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000047717419 411162886 /nfs/dbraw/zinc/16/28/86/411162886.db2.gz QRTIJDNZKAYSBZ-SNVBAGLBSA-N 0 0 236.315 2.531 50 0 BFAARN C[C@H]1C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000045601104 411147499 /nfs/dbraw/zinc/14/74/99/411147499.db2.gz REHCTCPTSJTQMA-JOYOIKCWSA-N 0 0 237.730 2.655 50 0 BFAARN CNC(=O)N[C@H](c1cccs1)C1CCCC1 ZINC000047717777 411162516 /nfs/dbraw/zinc/16/25/16/411162516.db2.gz VTHUDOSTVQTQSF-NSHDSACASA-N 0 0 238.356 2.908 50 0 BFAARN CNC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000047717418 411162782 /nfs/dbraw/zinc/16/27/82/411162782.db2.gz QRTIJDNZKAYSBZ-JTQLQIEISA-N 0 0 236.315 2.531 50 0 BFAARN CC/C=C(/C)C(=O)N(C)Cc1ccco1 ZINC000058289722 167827650 /nfs/dbraw/zinc/82/76/50/167827650.db2.gz UNSJIHGXKYZMAL-POHAHGRESA-N 0 0 207.273 2.594 50 0 BFAARN Cc1ocnc1C(=O)N1c2ccccc2C[C@H]1C ZINC000089556255 411273543 /nfs/dbraw/zinc/27/35/43/411273543.db2.gz WZRBQIUJXNCTKI-SECBINFHSA-N 0 0 242.278 2.574 50 0 BFAARN CC/C=C/C[C@H]1C(=O)CC[C@H]1CC(=O)OC ZINC000005447652 167857796 /nfs/dbraw/zinc/85/77/96/167857796.db2.gz GEWDNTWNSAZUDX-BXXZLRJFSA-N 0 0 224.300 2.501 50 0 in-vitro BFAARN CC/C=C\CCOC(=O)c1ccccc1N ZINC000013346758 167860960 /nfs/dbraw/zinc/86/09/60/167860960.db2.gz VZWCCPAVZNSCEO-ARJAWSKDSA-N 0 0 219.284 2.782 50 0 endogenous,in-man BFAARN CC1(NC(=O)Nc2nccs2)CCCCC1 ZINC000095397924 168058220 /nfs/dbraw/zinc/05/82/20/168058220.db2.gz WOJZSTGAZPFYLD-UHFFFAOYSA-N 0 0 239.344 2.987 50 0 BFAARN CC1(NC(=O)c2ccnc(F)c2)CCCCC1 ZINC000045046478 168061937 /nfs/dbraw/zinc/06/19/37/168061937.db2.gz OOVVBOAQOYTWFA-UHFFFAOYSA-N 0 0 236.290 2.673 50 0 BFAARN CC1=C(C)C[C@H](CN2C(=O)CCCC2=O)CC1 ZINC000004666752 168086783 /nfs/dbraw/zinc/08/67/83/168086783.db2.gz XSGQAQRVBFMIJT-GFCCVEGCSA-N 0 0 235.327 2.662 50 0 BFAARN CC1=C(c2ccco2)CN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000253392178 168087796 /nfs/dbraw/zinc/08/77/96/168087796.db2.gz QBOJTNKCMHCVNI-NWDGAFQWSA-N 0 0 245.322 2.941 50 0 BFAARN Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C=C2C ZINC000001840790 168092017 /nfs/dbraw/zinc/09/20/17/168092017.db2.gz UTFJBEHZXBEQGY-UHFFFAOYSA-N 0 0 241.290 2.720 50 0 biogenic BFAARN CC1=CC[C@H](C(N)=O)[C@H](c2ccc(F)cc2)C1 ZINC000004784968 168120723 /nfs/dbraw/zinc/12/07/23/168120723.db2.gz CRWYRQUYJZNOMC-STQMWFEESA-N 0 0 233.286 2.751 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)NCC1CCC(C)CC1 ZINC000055488721 168154972 /nfs/dbraw/zinc/15/49/72/168154972.db2.gz SBONKHRQYTZJEG-ADPBJBESSA-N 0 0 209.333 2.585 50 0 BFAARN CC1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000032747785 168172454 /nfs/dbraw/zinc/17/24/54/168172454.db2.gz FBZBUHRDXGOXNO-LBPRGKRZSA-N 0 0 207.317 2.601 50 0 BFAARN CC1CC[NH+]([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000000811643 168186453 /nfs/dbraw/zinc/18/64/53/168186453.db2.gz VNTKWWYECZGMLP-CYBMUJFWSA-N 0 0 233.311 2.544 50 0 BFAARN CCC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000032819497 168219881 /nfs/dbraw/zinc/21/98/81/168219881.db2.gz WEJKDJNGWBEPQM-ZDUSSCGKSA-N 0 0 233.311 2.769 50 0 BFAARN CCC(=O)NCCSCc1cccs1 ZINC000040463041 168229542 /nfs/dbraw/zinc/22/95/42/168229542.db2.gz SYIBOBNYFIPMTK-UHFFFAOYSA-N 0 0 229.370 2.508 50 0 BFAARN CCC(=O)NC[C@@H](CC)Oc1ccccc1F ZINC000096451720 168230276 /nfs/dbraw/zinc/23/02/76/168230276.db2.gz GBHYDXIXSYFVML-SNVBAGLBSA-N 0 0 239.290 2.509 50 0 BFAARN CCC(=O)NC[C@H](CC)Oc1cccc(F)c1 ZINC000084561095 168231397 /nfs/dbraw/zinc/23/13/97/168231397.db2.gz DWEZQALHFLMFMA-NSHDSACASA-N 0 0 239.290 2.509 50 0 BFAARN CCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000071375924 168237709 /nfs/dbraw/zinc/23/77/09/168237709.db2.gz IEMWMCVMYBJZCE-LLVKDONJSA-N 0 0 233.311 2.815 50 0 BFAARN CCC(=O)Nc1c2c(ccc1OC)CCC2 ZINC000225388860 168241191 /nfs/dbraw/zinc/24/11/91/168241191.db2.gz NIWJOVCXJYYOPZ-UHFFFAOYSA-N 0 0 219.284 2.532 50 0 BFAARN CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000044891422 168241537 /nfs/dbraw/zinc/24/15/37/168241537.db2.gz RAQSNOLYOIZYKO-UHFFFAOYSA-N 0 0 243.310 2.838 50 0 BFAARN CCC(=O)Nc1ccc(-c2cnc(C)o2)cc1 ZINC000029953223 168243104 /nfs/dbraw/zinc/24/31/04/168243104.db2.gz AXNSKIIOSSTLBA-UHFFFAOYSA-N 0 0 230.267 2.999 50 0 BFAARN CCC(=O)Nc1cnc(-c2ccc(F)cc2)nc1 ZINC000064542926 168247176 /nfs/dbraw/zinc/24/71/76/168247176.db2.gz GEZIJXANLMMHHZ-UHFFFAOYSA-N 0 0 245.257 2.631 50 0 BFAARN CCC(=O)Nc1nc(-c2cccnc2)cs1 ZINC000006309324 168248381 /nfs/dbraw/zinc/24/83/81/168248381.db2.gz MYECGKZDGHFYIO-UHFFFAOYSA-N 0 0 233.296 2.554 50 0 BFAARN CCC(=O)Nc1nnc(-c2ccccc2)s1 ZINC000000344550 168248931 /nfs/dbraw/zinc/24/89/31/168248931.db2.gz OYBWXBASKPUYBW-UHFFFAOYSA-N 0 0 233.296 2.554 50 0 BFAARN CCC(=O)Oc1ccc(C(=O)CC)cc1C ZINC000044123585 168250892 /nfs/dbraw/zinc/25/08/92/168250892.db2.gz BQDSIYAPJSERMQ-UHFFFAOYSA-N 0 0 220.268 2.903 50 0 BFAARN CCC(=O)c1cccc(-n2ccc(C(C)=O)n2)c1 ZINC000065431681 168257059 /nfs/dbraw/zinc/25/70/59/168257059.db2.gz KXGQELJXPUSQQO-UHFFFAOYSA-N 0 0 242.278 2.668 50 0 BFAARN CCC(=O)c1cnn(Cc2ccc(OC)cc2)c1 ZINC000083428590 168259063 /nfs/dbraw/zinc/25/90/63/168259063.db2.gz SZQSVMYOECVAEX-UHFFFAOYSA-N 0 0 244.294 2.533 50 0 BFAARN CCC(C)(C)NC(=O)Cc1ccc(C)cc1 ZINC000000620844 168291459 /nfs/dbraw/zinc/29/14/59/168291459.db2.gz OTKVNJDFYYBCSS-UHFFFAOYSA-N 0 0 219.328 2.842 50 0 BFAARN CCC(C)(C)NC(=O)CSC1CCCC1 ZINC000058955607 168291903 /nfs/dbraw/zinc/29/19/03/168291903.db2.gz QWTOUVHNFZDMBM-UHFFFAOYSA-N 0 0 229.389 2.967 50 0 BFAARN CCC(C)(C)OC(=O)c1cc(C(C)=O)cn1C ZINC000097049072 168303098 /nfs/dbraw/zinc/30/30/98/168303098.db2.gz UNSYCYHLKYEEGH-UHFFFAOYSA-N 0 0 237.299 2.573 50 0 BFAARN CCN(Cc1ncc(C)o1)c1ccc(O)cc1 ZINC000240902838 169937109 /nfs/dbraw/zinc/93/71/09/169937109.db2.gz IVSTUPGJIODUIR-UHFFFAOYSA-N 0 0 232.283 2.715 50 0 BFAARN C[C@]1(F)CCN(C(=O)Nc2ccsc2)C1 ZINC000336615140 411498372 /nfs/dbraw/zinc/49/83/72/411498372.db2.gz UHAVIFGHSHJMPY-JTQLQIEISA-N 0 0 228.292 2.714 50 0 BFAARN CCN1CNC(=S)N([C@H](C)c2ccccc2)C1 ZINC000020171170 170027066 /nfs/dbraw/zinc/02/70/66/170027066.db2.gz OHZVZCBIKHMPBE-LLVKDONJSA-N 0 0 249.383 2.586 50 0 BFAARN CCNC(=O)CNc1ccc(Cl)c(Cl)c1 ZINC000010029070 170066728 /nfs/dbraw/zinc/06/67/28/170066728.db2.gz UXMWFOYCCUIXHQ-UHFFFAOYSA-N 0 0 247.125 2.541 50 0 BFAARN CCNC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000016605303 170071055 /nfs/dbraw/zinc/07/10/55/170071055.db2.gz JBWUSCIWOOILIF-UHFFFAOYSA-N 0 0 232.110 2.672 50 0 BFAARN CCNC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000098014291 170073955 /nfs/dbraw/zinc/07/39/55/170073955.db2.gz SNMYLAKOJYWUJB-WDEREUQCSA-N 0 0 236.315 2.782 50 0 BFAARN CCNC(=O)Nc1cccc(Br)c1 ZINC000000398061 170085349 /nfs/dbraw/zinc/08/53/49/170085349.db2.gz FGNMEGKVUNMIDC-UHFFFAOYSA-N 0 0 243.104 2.591 50 0 BFAARN CCNC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000008291456 170090292 /nfs/dbraw/zinc/09/02/92/170090292.db2.gz ZYSGLIDSUFDSLC-LLVKDONJSA-N 0 0 243.306 2.743 50 0 BFAARN CCNC(=O)[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000004284428 170092444 /nfs/dbraw/zinc/09/24/44/170092444.db2.gz VUNOFAIHSALQQH-IJLUTSLNSA-N 0 0 211.349 2.831 50 0 endogenous,in-man BFAARN CCNC(=O)c1ccc(-c2nc(C)cs2)cc1 ZINC000058329570 170101211 /nfs/dbraw/zinc/10/12/11/170101211.db2.gz HNUCUHUUMZMGOM-UHFFFAOYSA-N 0 0 246.335 2.868 50 0 BFAARN CCNC(=S)Nc1cccc2ncccc21 ZINC000135775270 170105976 /nfs/dbraw/zinc/10/59/76/170105976.db2.gz AMLQMZHAGLBUOK-UHFFFAOYSA-N 0 0 231.324 2.541 50 0 BFAARN CCNc1nc(C)nc2sc(CC)cc21 ZINC000005017341 170176055 /nfs/dbraw/zinc/17/60/55/170176055.db2.gz RPLPMFUQBHASAK-UHFFFAOYSA-N 0 0 221.329 2.994 50 0 BFAARN CCNc1nn2cc(C(C)(C)C)nc2s1 ZINC000040490520 170178209 /nfs/dbraw/zinc/17/82/09/170178209.db2.gz WCQQLIGQLRDFHT-UHFFFAOYSA-N 0 0 224.333 2.520 50 0 BFAARN CCNc1snc2c1cc(OC)cc2OC ZINC000071773187 170178887 /nfs/dbraw/zinc/17/88/87/170178887.db2.gz WAMROHUUSDUHBD-UHFFFAOYSA-N 0 0 238.312 2.745 50 0 BFAARN CCOC(=O)/C(C)=C/c1ccc(C)cc1 ZINC000095347612 170182278 /nfs/dbraw/zinc/18/22/78/170182278.db2.gz OYLIWRZHBODATL-PKNBQFBNSA-N 0 0 204.269 2.961 50 0 BFAARN CCOC(=O)/C=C1/CCCc2occc21 ZINC000029763259 170183154 /nfs/dbraw/zinc/18/31/54/170183154.db2.gz CYUKMZHHWKFKQB-HJWRWDBZSA-N 0 0 206.241 2.562 50 0 BFAARN CCOC(=O)C(=O)Nc1c(C)cccc1C(C)C ZINC000001618408 170183877 /nfs/dbraw/zinc/18/38/77/170183877.db2.gz CZZWDUYKGAXRCO-UHFFFAOYSA-N 0 0 249.310 2.620 50 0 BFAARN CCOC(=O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000004255748 170184775 /nfs/dbraw/zinc/18/47/75/170184775.db2.gz HFWDXQZJACFSOU-UHFFFAOYSA-N 0 0 247.077 2.739 50 0 BFAARN CCOC(=O)CC1CCC(F)(F)CC1 ZINC000095763999 170197971 /nfs/dbraw/zinc/19/79/71/170197971.db2.gz GZWGGXBBJGJHBC-UHFFFAOYSA-N 0 0 206.232 2.765 50 0 BFAARN CCOC(=O)CCC(=O)Nc1ccc(C)c(C)c1 ZINC000005869125 170198513 /nfs/dbraw/zinc/19/85/13/170198513.db2.gz MFKXBHXOFRKRCN-UHFFFAOYSA-N 0 0 249.310 2.585 50 0 BFAARN CCOC(=O)CCCC(=O)c1cccc(F)c1 ZINC000043214320 170198646 /nfs/dbraw/zinc/19/86/46/170198646.db2.gz HJTJOJNOFHDGRS-UHFFFAOYSA-N 0 0 238.258 2.742 50 0 BFAARN CCOC(=O)CCC(=O)c1ccc(F)c(C)c1 ZINC000043214323 170198850 /nfs/dbraw/zinc/19/88/50/170198850.db2.gz JLCSMNIIZRHFAM-UHFFFAOYSA-N 0 0 238.258 2.660 50 0 BFAARN CCOC(=O)CCC(=O)Nc1c(C)cccc1C ZINC000004820526 170198966 /nfs/dbraw/zinc/19/89/66/170198966.db2.gz MTLZYIMPEDGVLD-UHFFFAOYSA-N 0 0 249.310 2.585 50 0 BFAARN CCOC(=O)CCC(=O)c1ccc(C)c(F)c1 ZINC000002378934 170199005 /nfs/dbraw/zinc/19/90/05/170199005.db2.gz YLVFHPYTOIXPHY-UHFFFAOYSA-N 0 0 238.258 2.660 50 0 BFAARN CCOC(=O)CCCC(=O)c1ccccc1 ZINC000002165422 170199100 /nfs/dbraw/zinc/19/91/00/170199100.db2.gz XBYIXIAOQPIYHO-UHFFFAOYSA-N 0 0 220.268 2.603 50 0 BFAARN CCOC(=O)CCn1ccc2ccccc21 ZINC000036669082 170212125 /nfs/dbraw/zinc/21/21/25/170212125.db2.gz VGFGMNSKSUCONE-UHFFFAOYSA-N 0 0 217.268 2.595 50 0 BFAARN CCOC(=O)COc1cc(C)c(C)cc1C ZINC000016682821 170228804 /nfs/dbraw/zinc/22/88/04/170228804.db2.gz CLTXHYCQMMRLFG-UHFFFAOYSA-N 0 0 222.284 2.554 50 0 BFAARN CCOC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000006046802 170229155 /nfs/dbraw/zinc/22/91/55/170229155.db2.gz QUVDLYCGMXZLDT-UHFFFAOYSA-N 0 0 249.093 2.935 50 0 BFAARN CCOC(=O)C[C@H]1CC(C)(C)OC1(C)C ZINC000095883935 170233963 /nfs/dbraw/zinc/23/39/63/170233963.db2.gz IPVBSPQFHKAZPQ-VIFPVBQESA-N 0 0 214.305 2.533 50 0 BFAARN CCOC(=O)C[C@H]1CCc2ccccc21 ZINC000039207193 170234299 /nfs/dbraw/zinc/23/42/99/170234299.db2.gz GYOFMIPAKYRMQS-LLVKDONJSA-N 0 0 204.269 2.670 50 0 BFAARN CCOC(=O)Cc1cccc2ccc(OC)cc21 ZINC000034091374 170236038 /nfs/dbraw/zinc/23/60/38/170236038.db2.gz VPXDDUIYFMKQBI-UHFFFAOYSA-N 0 0 244.290 2.954 50 0 BFAARN CCOC(=O)NOCc1ccccc1Cl ZINC000003086139 170242665 /nfs/dbraw/zinc/24/26/65/170242665.db2.gz ORCJIAJKHWSJIZ-UHFFFAOYSA-N 0 0 229.663 2.518 50 0 BFAARN CCOC(=O)N=c1[nH]c2c(s1)C[C@H](C)CC2 ZINC000012505131 170243862 /nfs/dbraw/zinc/24/38/62/170243862.db2.gz FKKYTDRDMJFUKR-SSDOTTSWSA-N 0 0 240.328 2.836 50 0 BFAARN CCOC(=O)Nc1ccc2c(c1)CCC2 ZINC000000371834 170243924 /nfs/dbraw/zinc/24/39/24/170243924.db2.gz ZWTYBEUXTGDBKT-UHFFFAOYSA-N 0 0 205.257 2.744 50 0 BFAARN CCOC(=O)[C@@H](C)SC1CCCC1 ZINC000041391365 170248205 /nfs/dbraw/zinc/24/82/05/170248205.db2.gz NNKIDVVNZRMIHF-MRVPVSSYSA-N 0 0 202.319 2.614 50 0 BFAARN CCOC(=O)[C@@H](C)Sc1ccccc1 ZINC000000399790 170248342 /nfs/dbraw/zinc/24/83/42/170248342.db2.gz AFQJVOVRMATZLA-SECBINFHSA-N 0 0 210.298 2.730 50 0 BFAARN CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C)C1 ZINC000338910393 170257068 /nfs/dbraw/zinc/25/70/68/170257068.db2.gz LEPDWDXEVCKHTR-AVGNSLFASA-N 0 0 239.359 2.593 50 0 BFAARN CCOC(=O)[C@@H]1CC=C(Br)CC1 ZINC000085477139 170257484 /nfs/dbraw/zinc/25/74/84/170257484.db2.gz JMGPAKUOUAFRNQ-SSDOTTSWSA-N 0 0 233.105 2.628 50 0 BFAARN CCOC(=O)c1c(C)[nH]c2nc(Cl)ccc21 ZINC000230535145 170287364 /nfs/dbraw/zinc/28/73/64/170287364.db2.gz BJIHSYJBQROZEF-UHFFFAOYSA-N 0 0 238.674 2.701 50 0 BFAARN CCOC(=O)c1c(C)onc1-c1ccccc1F ZINC000091691907 170287493 /nfs/dbraw/zinc/28/74/93/170287493.db2.gz MJZYVXZLXHAZDL-UHFFFAOYSA-N 0 0 249.241 2.966 50 0 BFAARN CCOC(=O)c1c(Cl)cc(C)nc1Cl ZINC000000089505 170288147 /nfs/dbraw/zinc/28/81/47/170288147.db2.gz ZNFJVVLTQSOWJY-UHFFFAOYSA-N 0 0 234.082 2.874 50 0 BFAARN CCOC(=O)c1c(N)sc2c1[C@@H](C)CCC2 ZINC000000149863 170288948 /nfs/dbraw/zinc/28/89/48/170288948.db2.gz HRPRBNMOLCLEDL-ZETCQYMHSA-N 0 0 239.340 2.947 50 0 BFAARN CCOC(=O)c1c(N)sc2c1[C@H](C)CCC2 ZINC000000149862 170289299 /nfs/dbraw/zinc/28/92/99/170289299.db2.gz HRPRBNMOLCLEDL-SSDOTTSWSA-N 0 0 239.340 2.947 50 0 BFAARN CCOC(=O)c1c[nH]c(-c2ccccc2)c1 ZINC000002527309 170289480 /nfs/dbraw/zinc/28/94/80/170289480.db2.gz XGAUDZLAAYUFKN-UHFFFAOYSA-N 0 0 215.252 2.858 50 0 BFAARN CCOC(=O)c1cc(-c2ccccc2C)no1 ZINC000000266293 170290826 /nfs/dbraw/zinc/29/08/26/170290826.db2.gz QLSFKTQHGBRXSI-UHFFFAOYSA-N 0 0 231.251 2.827 50 0 BFAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000015442930 170291188 /nfs/dbraw/zinc/29/11/88/170291188.db2.gz OHKWTCCYUHOKLC-UHFFFAOYSA-N 0 0 247.250 2.527 50 0 BFAARN CCOC(=O)c1cc(F)c(Cl)nc1Cl ZINC000026896753 170292131 /nfs/dbraw/zinc/29/21/31/170292131.db2.gz FPPLCOWQBGOFDU-UHFFFAOYSA-N 0 0 238.045 2.704 50 0 BFAARN CCOC(=O)c1cc(Cl)c(F)cc1F ZINC000089064476 170292543 /nfs/dbraw/zinc/29/25/43/170292543.db2.gz KLOWKADDOFKRKP-UHFFFAOYSA-N 0 0 220.602 2.795 50 0 BFAARN CCOC(=O)c1cc(OCC)ccc1OCC ZINC000002581134 170293110 /nfs/dbraw/zinc/29/31/10/170293110.db2.gz VTTHMKXCMAWQTF-UHFFFAOYSA-N 0 0 238.283 2.661 50 0 BFAARN CCOC(=O)c1cc2ccccc2cc1O ZINC000100019901 170293502 /nfs/dbraw/zinc/29/35/02/170293502.db2.gz CVEOWBRXZJEZRQ-UHFFFAOYSA-N 0 0 216.236 2.722 50 0 BFAARN CCOC(=O)c1cc2cc(F)cc(F)c2[nH]1 ZINC000043220675 170293859 /nfs/dbraw/zinc/29/38/59/170293859.db2.gz HDQWIGXSLOUUMR-UHFFFAOYSA-N 0 0 225.194 2.623 50 0 BFAARN CCOC(=O)c1ccc(-c2cccc(O)c2)nc1 ZINC000032576256 170294658 /nfs/dbraw/zinc/29/46/58/170294658.db2.gz CKAPDAXWVPTULZ-UHFFFAOYSA-N 0 0 243.262 2.631 50 0 BFAARN CCOC(=O)c1ccc(C(F)F)cc1 ZINC000031829495 170295255 /nfs/dbraw/zinc/29/52/55/170295255.db2.gz WISBDSSXPQJMIG-UHFFFAOYSA-N 0 0 200.184 2.801 50 0 BFAARN CCOC(=O)c1ccc(N[C@@H](C)CC)c(N)c1 ZINC000041079796 170296980 /nfs/dbraw/zinc/29/69/80/170296980.db2.gz XHOJTCQZBRUQRO-VIFPVBQESA-N 0 0 236.315 2.656 50 0 BFAARN CCOC(=O)c1cccc(-c2nccs2)c1 ZINC000012370215 170298686 /nfs/dbraw/zinc/29/86/86/170298686.db2.gz LHYDRQQHIJUWDE-UHFFFAOYSA-N 0 0 233.292 2.987 50 0 BFAARN CCOC(=O)c1ccc2nc(C)sc2c1 ZINC000008729880 170298843 /nfs/dbraw/zinc/29/88/43/170298843.db2.gz XLUVVPRHNXGQJG-UHFFFAOYSA-N 0 0 221.281 2.781 50 0 BFAARN CCOC(=O)c1cncn1[C@H](C)c1ccccc1 ZINC000000001408 170303192 /nfs/dbraw/zinc/30/31/92/170303192.db2.gz NPUKDXXFDDZOKR-LLVKDONJSA-N 0 0 244.294 2.669 50 0 fda BFAARN CCOC(=O)c1ncc(-c2ccccc2)o1 ZINC000039632521 170308167 /nfs/dbraw/zinc/30/81/67/170308167.db2.gz LRQAQFQUJNFEDT-UHFFFAOYSA-N 0 0 217.224 2.518 50 0 BFAARN CCOC(=O)c1nnc(-c2cccc(C)c2)s1 ZINC000259501169 170308767 /nfs/dbraw/zinc/30/87/67/170308767.db2.gz ATACNBJBFHKAQC-UHFFFAOYSA-N 0 0 248.307 2.690 50 0 BFAARN CCOC(=O)c1sc(NC(=O)CC)cc1C ZINC000035151838 170310381 /nfs/dbraw/zinc/31/03/81/170310381.db2.gz SVIVWHLDEUTZRY-UHFFFAOYSA-N 0 0 241.312 2.582 50 0 BFAARN CCOC(=O)c1sc(-c2ccoc2)nc1C ZINC000069811659 170310932 /nfs/dbraw/zinc/31/09/32/170310932.db2.gz ZYTAAVLESQSUEQ-UHFFFAOYSA-N 0 0 237.280 2.888 50 0 BFAARN CCOC(CNc1ccc(F)cc1)OCC ZINC000000153130 170315544 /nfs/dbraw/zinc/31/55/44/170315544.db2.gz RSSWNXUJKRPPQC-UHFFFAOYSA-N 0 0 227.279 2.637 50 0 BFAARN CCOC1=NCCN(C)c2ccc(Cl)cc21 ZINC000071774225 170320801 /nfs/dbraw/zinc/32/08/01/170320801.db2.gz UHJBGZPNJAKWNN-UHFFFAOYSA-N 0 0 238.718 2.573 50 0 BFAARN CCOCCC(=O)N(Cc1ccccc1)C(C)C ZINC000004829093 170357216 /nfs/dbraw/zinc/35/72/16/170357216.db2.gz BSZQCRJRCCDRLG-UHFFFAOYSA-N 0 0 249.354 2.850 50 0 BFAARN CCOCCC(=O)N(CC)C1CCCCC1 ZINC000006690935 170357354 /nfs/dbraw/zinc/35/73/54/170357354.db2.gz KJQIJGXBKBKFBE-UHFFFAOYSA-N 0 0 227.348 2.594 50 0 BFAARN CCOCCC(=O)Nc1ccc2ncccc2c1 ZINC000078478053 170363270 /nfs/dbraw/zinc/36/32/70/170363270.db2.gz NUYTXYBGXZQMSH-UHFFFAOYSA-N 0 0 244.294 2.600 50 0 BFAARN CCOCc1cccc(Br)c1 ZINC000049600924 170458595 /nfs/dbraw/zinc/45/85/95/170458595.db2.gz UTPJZYYIEFTZLZ-UHFFFAOYSA-N 0 0 215.090 2.986 50 0 BFAARN CCOP(=O)(OCC)N1CCCCC1 ZINC000003165083 170469535 /nfs/dbraw/zinc/46/95/35/170469535.db2.gz YUGUNXGHQJDZJY-UHFFFAOYSA-N 0 0 221.237 2.653 50 0 BFAARN CCO[C@@H](C)c1nccn1Cc1c(C)noc1C ZINC000089521539 170476693 /nfs/dbraw/zinc/47/66/93/170476693.db2.gz TXPBWXJBLQJVBH-NSHDSACASA-N 0 0 249.314 2.634 50 0 BFAARN CCOc1cc2c[nH]nc2cc1Br ZINC000089197449 170530334 /nfs/dbraw/zinc/53/03/34/170530334.db2.gz GKYHSARCLYQEGV-UHFFFAOYSA-N 0 0 241.088 2.724 50 0 BFAARN CCOc1ccc(Br)c(OC)c1 ZINC000116878434 170535813 /nfs/dbraw/zinc/53/58/13/170535813.db2.gz AQTLEGYFKJSAIT-UHFFFAOYSA-N 0 0 231.089 2.856 50 0 BFAARN CCOc1ccc(C(=O)NC(C)C)cc1C ZINC000013582192 170536617 /nfs/dbraw/zinc/53/66/17/170536617.db2.gz VBJTYZMBCAQABV-UHFFFAOYSA-N 0 0 221.300 2.532 50 0 BFAARN CCOc1ccc(C(=O)N2CCCCC2)cc1 ZINC000000030327 170537025 /nfs/dbraw/zinc/53/70/25/170537025.db2.gz DGRRYFUYJXXZNO-UHFFFAOYSA-N 0 0 233.311 2.711 50 0 BFAARN CCOc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000000311221 170537838 /nfs/dbraw/zinc/53/78/38/170537838.db2.gz LFJUVPBDHBBXKT-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN CCOc1ccc(NC(=O)c2ccco2)cc1 ZINC000000102764 170551145 /nfs/dbraw/zinc/55/11/45/170551145.db2.gz QHQMTIZGRHMXQJ-UHFFFAOYSA-N 0 0 231.251 2.931 50 0 BFAARN CCOc1cccc(CNC(=O)c2ccoc2)c1 ZINC000048345256 170577137 /nfs/dbraw/zinc/57/71/37/170577137.db2.gz WAEQMDINVNNQTH-UHFFFAOYSA-N 0 0 245.278 2.608 50 0 BFAARN CCOc1ccccc1NC(=O)c1cc(C)no1 ZINC000014196963 170595173 /nfs/dbraw/zinc/59/51/73/170595173.db2.gz JWLWQASZWFMMPO-UHFFFAOYSA-N 0 0 246.266 2.634 50 0 BFAARN CCSCC(=O)NCc1ccc(CC)s1 ZINC000096433428 170625022 /nfs/dbraw/zinc/62/50/22/170625022.db2.gz ZBBQKZXQGAEUFX-UHFFFAOYSA-N 0 0 243.397 2.680 50 0 BFAARN CCSCCn1ccc(=O)c2ccccc21 ZINC000095454318 170643743 /nfs/dbraw/zinc/64/37/43/170643743.db2.gz CZEWXTLZZADQMZ-UHFFFAOYSA-N 0 0 233.336 2.755 50 0 BFAARN CCSc1nnc2c3cccc(C)c3[nH]c2n1 ZINC000006558385 170658564 /nfs/dbraw/zinc/65/85/64/170658564.db2.gz HRIMBXKMKRXNLE-UHFFFAOYSA-N 0 0 244.323 2.927 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000012985371 170683285 /nfs/dbraw/zinc/68/32/85/170683285.db2.gz KHVMGBGXPYYLHO-SECBINFHSA-N 0 0 248.326 2.938 50 0 BFAARN CC[C@@H](C)NC(=O)Cc1cccc(Cl)c1 ZINC000067785617 170741164 /nfs/dbraw/zinc/74/11/64/170741164.db2.gz WMBFQCVJRJCEAX-SECBINFHSA-N 0 0 225.719 2.797 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1ccc(C)cc1 ZINC000001719445 170744313 /nfs/dbraw/zinc/74/43/13/170744313.db2.gz BNCXYBFZMPJUFJ-SNVBAGLBSA-N 0 0 206.289 2.915 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1ccc(F)cc1 ZINC000012921750 170744621 /nfs/dbraw/zinc/74/46/21/170744621.db2.gz DAKFBOFAVJLZJO-MRVPVSSYSA-N 0 0 210.252 2.746 50 0 BFAARN CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000013001583 170745181 /nfs/dbraw/zinc/74/51/81/170745181.db2.gz AORSHQLOSLDSTP-VXGBXAGGSA-N 0 0 235.327 2.677 50 0 BFAARN CC[C@@H](C)NC(=S)Nc1cccc(F)c1 ZINC000000473200 170749675 /nfs/dbraw/zinc/74/96/75/170749675.db2.gz KYUAXPGDBKAXOD-MRVPVSSYSA-N 0 0 226.320 2.911 50 0 BFAARN CC[C@@H](C)Sc1nnc2cc(C)nc(C)n21 ZINC000078838601 170767838 /nfs/dbraw/zinc/76/78/38/170767838.db2.gz QWFARNSKWALCSS-MRVPVSSYSA-N 0 0 236.344 2.632 50 0 BFAARN CC[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(C)cc1 ZINC000013328185 170882340 /nfs/dbraw/zinc/88/23/40/170882340.db2.gz BTNVBFONMFJOEG-ZIAGYGMSSA-N 0 0 247.338 2.741 50 0 BFAARN CC[C@H]1c2cc(OC)ccc2CCC1=O ZINC000090415236 170956455 /nfs/dbraw/zinc/95/64/55/170956455.db2.gz IJYWCVPWBNPSIL-NSHDSACASA-N 0 0 204.269 2.704 50 0 BFAARN CC[C@@H]1C(=O)O[C@@H](c2ccccc2)C(C)(C)C1=O ZINC000000128457 170959733 /nfs/dbraw/zinc/95/97/33/170959733.db2.gz BQISGOZGIFFRIQ-AAEUAGOBSA-N 0 0 246.306 2.906 50 0 BFAARN CC[C@@]1(C)OC(=O)N(c2ccccc2)[C@@]1(C)O ZINC000001055176 171209953 /nfs/dbraw/zinc/20/99/53/171209953.db2.gz HZYGFMWHYMVDFI-OLZOCXBDSA-N 0 0 235.283 2.520 50 0 BFAARN CC[C@H](C(=O)NN1CCCCC1)c1ccccc1 ZINC000020495408 171231329 /nfs/dbraw/zinc/23/13/29/171231329.db2.gz NDERYXQOFFJSFR-AWEZNQCLSA-N 0 0 246.354 2.697 50 0 BFAARN CC[C@H](C(=O)O[C@H]1CCOC1)c1ccccc1 ZINC000071883883 171241897 /nfs/dbraw/zinc/24/18/97/171241897.db2.gz LPUSOKKFKZYVIZ-STQMWFEESA-N 0 0 234.295 2.512 50 0 BFAARN CC[C@H](C)C(=O)N[C@H]1CCCc2occc21 ZINC000012913640 171253713 /nfs/dbraw/zinc/25/37/13/171253713.db2.gz GJDNNABSILAWNY-ONGXEEELSA-N 0 0 221.300 2.819 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(C)cc1O ZINC000032895949 171254349 /nfs/dbraw/zinc/25/43/49/171254349.db2.gz ZUAMBHVVGITIDJ-VIFPVBQESA-N 0 0 207.273 2.685 50 0 BFAARN CC[C@H](C)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000012985109 171255320 /nfs/dbraw/zinc/25/53/20/171255320.db2.gz MUPXEVXBZKWLPH-VIFPVBQESA-N 0 0 249.310 2.766 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(F)cc1OC ZINC000058355418 171255368 /nfs/dbraw/zinc/25/53/68/171255368.db2.gz OQIOOONRCUUGLB-QMMMGPOBSA-N 0 0 225.263 2.819 50 0 BFAARN CC[C@H](C)C(=O)Nc1cccc(N)c1C ZINC000008703436 171255433 /nfs/dbraw/zinc/25/54/33/171255433.db2.gz HXKFTQFVVHJBJE-QMMMGPOBSA-N 0 0 206.289 2.562 50 0 BFAARN CC[C@H](C)CN(C)C(=O)c1ccc2c(c1)OCO2 ZINC000071894194 171271966 /nfs/dbraw/zinc/27/19/66/171271966.db2.gz ZWJZRMRMRWWGKS-JTQLQIEISA-N 0 0 249.310 2.533 50 0 BFAARN CC[C@H](C)N(C)C(=O)Nc1ccccc1 ZINC000059334708 171302817 /nfs/dbraw/zinc/30/28/17/171302817.db2.gz UZSKSZPRIDEHRT-JTQLQIEISA-N 0 0 206.289 2.949 50 0 BFAARN CC[C@H](C)NC(=O)/C=C/c1ccc(C)cc1 ZINC000000475286 171321231 /nfs/dbraw/zinc/32/12/31/171321231.db2.gz OKXKPRVYJURGPX-VMPCVLLUSA-N 0 0 217.312 2.923 50 0 BFAARN CC[C@H](C)NC(=O)COc1c(C)cccc1C ZINC000000612373 171326113 /nfs/dbraw/zinc/32/61/13/171326113.db2.gz CTGLTPMLYNVPCN-LBPRGKRZSA-N 0 0 235.327 2.597 50 0 BFAARN CC[C@H](C)NC(=O)COc1ccc(C)cc1C ZINC000000577632 171326297 /nfs/dbraw/zinc/32/62/97/171326297.db2.gz VXDGEPCGPYYMBJ-LBPRGKRZSA-N 0 0 235.327 2.597 50 0 BFAARN CC[C@H](C)NC(=O)Nc1ccc(F)cc1F ZINC000009256322 171330830 /nfs/dbraw/zinc/33/08/30/171330830.db2.gz FNUAIGNNXOOZJC-ZETCQYMHSA-N 0 0 228.242 2.885 50 0 BFAARN CC[C@H](C)NC(=O)Nc1cccc(COC)c1 ZINC000058059091 171331309 /nfs/dbraw/zinc/33/13/09/171331309.db2.gz TVTSVWQWTIUNOW-JTQLQIEISA-N 0 0 236.315 2.753 50 0 BFAARN CC[C@H](C)NC(=O)[C@@H](C)c1ccccc1 ZINC000096319167 171332694 /nfs/dbraw/zinc/33/26/94/171332694.db2.gz FVOVRIBKKZMJNZ-QWRGUYRKSA-N 0 0 205.301 2.705 50 0 BFAARN CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)Nc2ccccc21 ZINC000019434254 171334104 /nfs/dbraw/zinc/33/41/04/171334104.db2.gz RMFKCPZVZSAUNM-DMDPSCGWSA-N 0 0 246.354 2.889 50 0 BFAARN CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000014397485 171335888 /nfs/dbraw/zinc/33/58/88/171335888.db2.gz UPBPRMPBCDHILN-UWVGGRQHSA-N 0 0 239.290 2.508 50 0 BFAARN CC[C@H](C)NC(=O)c1ccc(OC)c(C)c1 ZINC000009063940 171337680 /nfs/dbraw/zinc/33/76/80/171337680.db2.gz DLAAXHNVRTZVMX-JTQLQIEISA-N 0 0 221.300 2.532 50 0 BFAARN CC[C@H](C)Nc1ncnc2sccc21 ZINC000000116003 171350409 /nfs/dbraw/zinc/35/04/09/171350409.db2.gz ARMNWWVIAVOYNY-ZETCQYMHSA-N 0 0 207.302 2.902 50 0 BFAARN CC[C@H](C)Oc1ccc(C=O)cc1OC ZINC000005656401 171356408 /nfs/dbraw/zinc/35/64/08/171356408.db2.gz HLWKDCMKTGMQNT-VIFPVBQESA-N 0 0 208.257 2.685 50 0 BFAARN CC[C@H](C)[C@H](C)NC(=O)c1cccc(OC)c1 ZINC000048309523 171388264 /nfs/dbraw/zinc/38/82/64/171388264.db2.gz VIGYEJISJWFCLU-QWRGUYRKSA-N 0 0 235.327 2.860 50 0 BFAARN CC[C@H](C)c1ccc(NC(C)=O)c(O)c1 ZINC000000373625 171410377 /nfs/dbraw/zinc/41/03/77/171410377.db2.gz CMBZLKNFJIVOAX-QMMMGPOBSA-N 0 0 207.273 2.864 50 0 BFAARN CC[C@H](C)c1ncncc1Br ZINC000015021312 171414186 /nfs/dbraw/zinc/41/41/86/171414186.db2.gz QXYSMMNJSYBORC-LURJTMIESA-N 0 0 215.094 2.753 50 0 BFAARN CC[C@H](SC)C(=O)Nc1ncccc1Cl ZINC000097046946 171594355 /nfs/dbraw/zinc/59/43/55/171594355.db2.gz OYESOMVIJFQQST-QMMMGPOBSA-N 0 0 244.747 2.815 50 0 BFAARN CC[C@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000048199731 171613628 /nfs/dbraw/zinc/61/36/28/171613628.db2.gz TXHYQOIEZWGOTE-STQMWFEESA-N 0 0 239.359 2.594 50 0 BFAARN CC[C@H]1CN(C(=O)Nc2ccc(C)cc2)CCO1 ZINC000012892207 171651159 /nfs/dbraw/zinc/65/11/59/171651159.db2.gz NJMCGYOUVFUPKO-ZDUSSCGKSA-N 0 0 248.326 2.638 50 0 BFAARN CCc1ccc(CC(=O)NC2CCCC2)cc1 ZINC000071376483 171790503 /nfs/dbraw/zinc/79/05/03/171790503.db2.gz GPIDCJJAUYETED-UHFFFAOYSA-N 0 0 231.339 2.850 50 0 BFAARN CCc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000010433908 171790954 /nfs/dbraw/zinc/79/09/54/171790954.db2.gz TWWKMCPTYYONHP-UHFFFAOYSA-N 0 0 231.339 2.804 50 0 BFAARN CCc1cccc(C)c1NC(=O)NC1CC1 ZINC000036179004 171854056 /nfs/dbraw/zinc/85/40/56/171854056.db2.gz DMQHTBRZCCLCLR-UHFFFAOYSA-N 0 0 218.300 2.841 50 0 BFAARN CCc1csc(-c2ccccc2N)n1 ZINC000039100947 171929317 /nfs/dbraw/zinc/92/93/17/171929317.db2.gz MPHRTLUBYIHERL-UHFFFAOYSA-N 0 0 204.298 2.955 50 0 BFAARN CCc1nc([C@H]2CCCN2CC2CCCC2)no1 ZINC000078724151 172007504 /nfs/dbraw/zinc/00/75/04/172007504.db2.gz QTWIBTHQXIZDLW-GFCCVEGCSA-N 0 0 249.358 2.959 50 0 BFAARN CCc1nc2ccc(C(C)C)cc2c(=O)[nH]1 ZINC000057772011 172011864 /nfs/dbraw/zinc/01/18/64/172011864.db2.gz PXAXMCXQSHXEQA-UHFFFAOYSA-N 0 0 216.284 2.609 50 0 BFAARN CCc1nnc2sc(-c3ccc(C)cc3)nn12 ZINC000073638558 172068758 /nfs/dbraw/zinc/06/87/58/172068758.db2.gz KQTABVQXGDXEFP-UHFFFAOYSA-N 0 0 244.323 2.724 50 0 BFAARN CCc1nnc2sc(-c3ccccc3C)nn12 ZINC000004857411 172068914 /nfs/dbraw/zinc/06/89/14/172068914.db2.gz IVBURGHARYEBNR-UHFFFAOYSA-N 0 0 244.323 2.724 50 0 BFAARN CCc1sc(C(=O)NC(C)C)cc1C ZINC000040161724 172128304 /nfs/dbraw/zinc/12/83/04/172128304.db2.gz IUCNXNJKCVYOGG-UHFFFAOYSA-N 0 0 211.330 2.757 50 0 BFAARN CCn1c(=O)sc2cc(Cl)ccc21 ZINC000000394085 172133869 /nfs/dbraw/zinc/13/38/69/172133869.db2.gz PZMDLAXMHHIXFA-UHFFFAOYSA-N 0 0 213.689 2.736 50 0 BFAARN CCN1C(=S)N=NC1c1csc(C)c1C ZINC000005686877 172147079 /nfs/dbraw/zinc/14/70/79/172147079.db2.gz BFYUHUPSLYRBIE-UHFFFAOYSA-N 0 0 239.369 2.932 50 0 BFAARN CCn1c(SCC(C)C)nnc1C1CC1 ZINC000040464750 172147711 /nfs/dbraw/zinc/14/77/11/172147711.db2.gz GBVKHPVIKDHBQI-UHFFFAOYSA-N 0 0 225.361 2.924 50 0 BFAARN CCn1c2ccccc2n2nc(C)c(C(C)=O)c12 ZINC000000090526 172149237 /nfs/dbraw/zinc/14/92/37/172149237.db2.gz LUPXRCMTGVELJN-UHFFFAOYSA-N 0 0 241.294 2.820 50 0 BFAARN CCn1cc(CNc2ccc(F)c(F)c2)cn1 ZINC000002536239 172176188 /nfs/dbraw/zinc/17/61/88/172176188.db2.gz MPDCKGCOABKBLR-UHFFFAOYSA-N 0 0 237.253 2.793 50 0 BFAARN CCn1cc(NCc2cccc3[nH]ccc32)cn1 ZINC000080333972 172184878 /nfs/dbraw/zinc/18/48/78/172184878.db2.gz WXAIVTVFSNRQBT-UHFFFAOYSA-N 0 0 240.310 2.996 50 0 BFAARN CCn1nc(C(C)C)cc1C(=O)NC1CCCC1 ZINC000031814815 172240795 /nfs/dbraw/zinc/24/07/95/172240795.db2.gz BLSCHJOTPLIAIW-UHFFFAOYSA-N 0 0 249.358 2.699 50 0 BFAARN CCn1nc(C)c(NC(=O)c2cccs2)c1C ZINC000002762079 172248495 /nfs/dbraw/zinc/24/84/95/172248495.db2.gz XKDZBWOOPGKTAH-UHFFFAOYSA-N 0 0 249.339 2.834 50 0 BFAARN CCn1ncc(C(=O)Nc2ccc(F)cc2)c1C ZINC000000371229 172254066 /nfs/dbraw/zinc/25/40/66/172254066.db2.gz JNFICCAKIYCSEH-UHFFFAOYSA-N 0 0 247.273 2.603 50 0 BFAARN CCn1ncnc1CSCC(C)(C)C ZINC000225640800 172285021 /nfs/dbraw/zinc/28/50/21/172285021.db2.gz QRZXQOLXKAVYNM-UHFFFAOYSA-N 0 0 213.350 2.577 50 0 BFAARN CN(C(=O)CC1CCCC1)C1CCCC1 ZINC000032901606 172301318 /nfs/dbraw/zinc/30/13/18/172301318.db2.gz NEMYDYBMIJLSNZ-UHFFFAOYSA-N 0 0 209.333 2.968 50 0 BFAARN CN(C(=O)c1cc(C2CC2)on1)C1CCCCC1 ZINC000040480256 172337001 /nfs/dbraw/zinc/33/70/01/172337001.db2.gz NRIJADTTWWETRY-UHFFFAOYSA-N 0 0 248.326 2.957 50 0 BFAARN CN(C(=O)c1cccc(N)c1)c1ccccc1 ZINC000000225994 172342532 /nfs/dbraw/zinc/34/25/32/172342532.db2.gz PKOVFFWYXWEFSN-UHFFFAOYSA-N 0 0 226.279 2.545 50 0 BFAARN CN(C)C(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000009667950 172353825 /nfs/dbraw/zinc/35/38/25/172353825.db2.gz WVRVYGIPBGORAR-SDNWHVSQSA-N 0 0 241.290 2.908 50 0 BFAARN CN(C)C(=O)CCCOc1ccccc1Cl ZINC000050559198 172358480 /nfs/dbraw/zinc/35/84/80/172358480.db2.gz QGCSSOSMFUAQKG-UHFFFAOYSA-N 0 0 241.718 2.587 50 0 BFAARN CN(C)C(=O)CSc1ccccc1Cl ZINC000032838752 172373649 /nfs/dbraw/zinc/37/36/49/172373649.db2.gz KTSZSIXFRHETNH-UHFFFAOYSA-N 0 0 229.732 2.520 50 0 BFAARN CN(C)C(=O)C[C@H]1CCCc2ccccc21 ZINC000089310403 172375441 /nfs/dbraw/zinc/37/54/41/172375441.db2.gz NMNCCAMQKYCFCB-GFCCVEGCSA-N 0 0 217.312 2.585 50 0 BFAARN CN(C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002038834 172382371 /nfs/dbraw/zinc/38/23/71/172382371.db2.gz RZILCCPWPBTYDO-UHFFFAOYSA-N 0 0 232.205 2.799 50 0 in-vitro BFAARN CN(C)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000069739877 172382693 /nfs/dbraw/zinc/38/26/93/172382693.db2.gz VJRIDYNAVQGICH-UHFFFAOYSA-N 0 0 248.204 2.521 50 0 BFAARN CN(C)C(=O)c1ccc(-c2ccc(O)cc2)cc1 ZINC000065340092 172388685 /nfs/dbraw/zinc/38/86/85/172388685.db2.gz KAVBJKJZODAIRN-UHFFFAOYSA-N 0 0 241.290 2.761 50 0 BFAARN CN(Cc1ccccc1F)C(=O)c1ccco1 ZINC000012984603 172875151 /nfs/dbraw/zinc/87/51/51/172875151.db2.gz WIRAJSRLENVDSB-UHFFFAOYSA-N 0 0 233.242 2.691 50 0 BFAARN CN(Cc1ccccc1F)C(=O)C(C)(C)C ZINC000012984601 172876199 /nfs/dbraw/zinc/87/61/99/172876199.db2.gz GEJMDJTWUBCHFH-UHFFFAOYSA-N 0 0 223.291 2.830 50 0 BFAARN CN(Cc1ccccc1N)c1ccccc1 ZINC000019264448 172877529 /nfs/dbraw/zinc/87/75/29/172877529.db2.gz BBYPKUHVITZYQF-UHFFFAOYSA-N 0 0 212.296 2.905 50 0 BFAARN CN(Cc1ccco1)C(=O)c1cccc(F)c1 ZINC000012978547 172890157 /nfs/dbraw/zinc/89/01/57/172890157.db2.gz ZILATQUHVNZESZ-UHFFFAOYSA-N 0 0 233.242 2.691 50 0 BFAARN CN(c1ccccc1)c1ccc(CO)cc1 ZINC000034956771 172950445 /nfs/dbraw/zinc/95/04/45/172950445.db2.gz FUQQLHVHXBNHPQ-UHFFFAOYSA-N 0 0 213.280 2.947 50 0 BFAARN CN1[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000057218371 173205318 /nfs/dbraw/zinc/20/53/18/173205318.db2.gz NNCVFQYJJLNXGD-BTPDTDQASA-N 0 0 237.302 2.925 50 0 BFAARN CN1c2ccccc2N(C)C1c1ccco1 ZINC000000330183 173208090 /nfs/dbraw/zinc/20/80/90/173208090.db2.gz LHOWBYRIBZUJDM-UHFFFAOYSA-N 0 0 214.268 2.864 50 0 BFAARN CNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000005510414 173233558 /nfs/dbraw/zinc/23/35/58/173233558.db2.gz DBUBYNLFHWVMRH-UHFFFAOYSA-N 0 0 239.318 2.955 50 0 BFAARN CNC(=O)CCSc1ccc(Cl)cc1 ZINC000000379890 173262856 /nfs/dbraw/zinc/26/28/56/173262856.db2.gz MCPNLTIEDNMVKR-UHFFFAOYSA-N 0 0 229.732 2.568 50 0 BFAARN CNC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000047969581 173284624 /nfs/dbraw/zinc/28/46/24/173284624.db2.gz CJVZIXUSVMOZNF-CABZTGNLSA-N 0 0 248.326 2.707 50 0 BFAARN CNC(=O)Oc1cccc(Cl)c1Cl ZINC000000398409 173293249 /nfs/dbraw/zinc/29/32/49/173293249.db2.gz PGELFURWCWPFSI-UHFFFAOYSA-N 0 0 220.055 2.712 50 0 BFAARN CNC(=O)Oc1cccc2sccc21 ZINC000002039968 173293276 /nfs/dbraw/zinc/29/32/76/173293276.db2.gz BOTUVXISJHKZKJ-UHFFFAOYSA-N 0 0 207.254 2.620 50 0 BFAARN CNC(=O)Oc1ccc(Cl)c(Cl)c1 ZINC000000398403 173293393 /nfs/dbraw/zinc/29/33/93/173293393.db2.gz LOSYNXWKIXVLSZ-UHFFFAOYSA-N 0 0 220.055 2.712 50 0 BFAARN CNC(=O)c1ccccc1Nc1ccccc1 ZINC000009379154 173312708 /nfs/dbraw/zinc/31/27/08/173312708.db2.gz QZVQCYVFZSHNHW-UHFFFAOYSA-N 0 0 226.279 2.790 50 0 BFAARN CNC(=O)c1sc(-c2cccs2)nc1C ZINC000003358245 173314932 /nfs/dbraw/zinc/31/49/32/173314932.db2.gz BZZWVJMWODTFRM-UHFFFAOYSA-N 0 0 238.337 2.540 50 0 BFAARN CNC(=S)NC[C@H](C)c1cc(C)ccc1C ZINC000007981179 173316173 /nfs/dbraw/zinc/31/61/73/173316173.db2.gz SULVJSOUPAEIIG-NSHDSACASA-N 0 0 236.384 2.501 50 0 BFAARN CNC(=S)Nc1cc(Cl)ccc1C ZINC000002905579 173316613 /nfs/dbraw/zinc/31/66/13/173316613.db2.gz KAUUWJADQSSQNX-UHFFFAOYSA-N 0 0 214.721 2.565 50 0 BFAARN CNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000000116457 173317185 /nfs/dbraw/zinc/31/71/85/173317185.db2.gz RYPFBMWLFMYKSV-UHFFFAOYSA-N 0 0 235.139 2.910 50 0 BFAARN COC(=O)CCSCc1cccc(C)c1 ZINC000016970798 173565197 /nfs/dbraw/zinc/56/51/97/173565197.db2.gz OOIIGWMOPXZILJ-UHFFFAOYSA-N 0 0 224.325 2.791 50 0 BFAARN COC(=O)c1c(C)[nH]cc1-c1ccccc1 ZINC000000493865 173842091 /nfs/dbraw/zinc/84/20/91/173842091.db2.gz OCIWPTHNKMNUIK-UHFFFAOYSA-N 0 0 215.252 2.777 50 0 BFAARN COC(=O)c1c[nH]cc1-c1ccc(C)s1 ZINC000095883829 173845867 /nfs/dbraw/zinc/84/58/67/173845867.db2.gz MLNRAOOLCVCYGU-UHFFFAOYSA-N 0 0 221.281 2.838 50 0 BFAARN COC(=O)c1c[nH]c2ccc(Cl)cc12 ZINC000026895953 173846981 /nfs/dbraw/zinc/84/69/81/173846981.db2.gz QFNXAQPCYKEICY-UHFFFAOYSA-N 0 0 209.632 2.608 50 0 BFAARN COC(=O)c1cc(C(F)(F)F)cnc1Cl ZINC000097756949 173850271 /nfs/dbraw/zinc/85/02/71/173850271.db2.gz ABTMVRRTSDJRGO-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN COC(=O)c1cc(C)nc2c(C)cccc12 ZINC000006318529 173852153 /nfs/dbraw/zinc/85/21/53/173852153.db2.gz WDZVLUXSSCASEF-UHFFFAOYSA-N 0 0 215.252 2.638 50 0 BFAARN COC(=O)c1cc(Cl)c2ccccc2n1 ZINC000062152064 173857905 /nfs/dbraw/zinc/85/79/05/173857905.db2.gz AAHYMHHQOLSODU-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN COC(=O)c1ccc(-c2ccccc2)o1 ZINC000021988875 173866088 /nfs/dbraw/zinc/86/60/88/173866088.db2.gz RQWRCTAAHRAAGB-UHFFFAOYSA-N 0 0 202.209 2.733 50 0 BFAARN COC(=O)c1ccc(F)cc1C(F)(F)F ZINC000022995906 173882197 /nfs/dbraw/zinc/88/21/97/173882197.db2.gz BNUYNCHJMOWGOH-UHFFFAOYSA-N 0 0 222.137 2.631 50 0 BFAARN COC(=O)c1cccc(-c2ccsc2)n1 ZINC000097757027 173892771 /nfs/dbraw/zinc/89/27/71/173892771.db2.gz OZWMJASZSQNSLR-UHFFFAOYSA-N 0 0 219.265 2.597 50 0 BFAARN COC(=O)c1cccc(-c2ccc(N)cc2)c1 ZINC000001258127 173892892 /nfs/dbraw/zinc/89/28/92/173892892.db2.gz MUWVXRUNXXPZQY-UHFFFAOYSA-N 0 0 227.263 2.722 50 0 BFAARN COC(=O)c1ccnc(-c2ccc(C)cc2)c1 ZINC000097757124 173901995 /nfs/dbraw/zinc/90/19/95/173901995.db2.gz DRNAOKATFVBPSB-UHFFFAOYSA-N 0 0 227.263 2.844 50 0 BFAARN COC(=O)c1cnc(-c2ccccc2)s1 ZINC000058038038 173905878 /nfs/dbraw/zinc/90/58/78/173905878.db2.gz RRDBEPHWFIYCQH-UHFFFAOYSA-N 0 0 219.265 2.597 50 0 BFAARN COCC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000024063288 174055475 /nfs/dbraw/zinc/05/54/75/174055475.db2.gz MNEVTZUUKNPCJD-LLVKDONJSA-N 0 0 243.306 2.663 50 0 BFAARN COCC(=O)Nc1cccc(C(F)(F)F)c1C ZINC000097015212 174059940 /nfs/dbraw/zinc/05/99/40/174059940.db2.gz VEYKWHFAQLCNIC-UHFFFAOYSA-N 0 0 247.216 2.599 50 0 BFAARN COCCCCCS[C@H]1CCCOC1 ZINC000096001700 174185974 /nfs/dbraw/zinc/18/59/74/174185974.db2.gz KROSJQSHADMLAM-NSHDSACASA-N 0 0 218.362 2.715 50 0 BFAARN COCCCNc1ccc(-c2ccccc2)nn1 ZINC000004968269 174251822 /nfs/dbraw/zinc/25/18/22/174251822.db2.gz DGDYBHORICHYIO-UHFFFAOYSA-N 0 0 243.310 2.592 50 0 BFAARN COCCCSCc1nc(C)cs1 ZINC000195571494 174258607 /nfs/dbraw/zinc/25/86/07/174258607.db2.gz XNZMDVBYDXIRRS-UHFFFAOYSA-N 0 0 217.359 2.721 50 0 BFAARN COCCNC(=O)Nc1ccccc1C(C)C ZINC000036179389 174325795 /nfs/dbraw/zinc/32/57/95/174325795.db2.gz TYRAGBFBQRRDBP-UHFFFAOYSA-N 0 0 236.315 2.578 50 0 BFAARN COCCNc1ccnc2c(Cl)cccc12 ZINC000001778809 174341570 /nfs/dbraw/zinc/34/15/70/174341570.db2.gz BLGRKRBYZXUSJC-UHFFFAOYSA-N 0 0 236.702 2.947 50 0 BFAARN COCCOc1cc(Cl)ccc1C ZINC000084082836 174367888 /nfs/dbraw/zinc/36/78/88/174367888.db2.gz FVETYDNPBPRCAZ-UHFFFAOYSA-N 0 0 200.665 2.674 50 0 BFAARN COCCSc1nc2cc(F)c(F)cc2[nH]1 ZINC000024929463 174377192 /nfs/dbraw/zinc/37/71/92/174377192.db2.gz TYMYDEJLVDXNCK-UHFFFAOYSA-N 0 0 244.266 2.580 50 0 BFAARN COCc1cc(Cl)nc(C(C)(C)C)n1 ZINC000051700241 174619593 /nfs/dbraw/zinc/61/95/93/174619593.db2.gz WVNQUPSDOKLAMK-UHFFFAOYSA-N 0 0 214.696 2.574 50 0 BFAARN COCc1cccc(C(=O)OC2CCC2)c1 ZINC000096447607 174628588 /nfs/dbraw/zinc/62/85/88/174628588.db2.gz LDDGALDAGAEZEB-UHFFFAOYSA-N 0 0 220.268 2.542 50 0 BFAARN CO[C@H](C)C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000089893406 174803106 /nfs/dbraw/zinc/80/31/06/174803106.db2.gz IMOIJRNFKWLOJD-LLVKDONJSA-N 0 0 235.327 2.808 50 0 BFAARN CO[C@H](CNC(=O)CC(C)C)c1ccccc1 ZINC000043518377 174862560 /nfs/dbraw/zinc/86/25/60/174862560.db2.gz WGLUBDQLFLRMRZ-CYBMUJFWSA-N 0 0 235.327 2.536 50 0 BFAARN COc1cc(-c2ccc(C)c(C)c2)ncn1 ZINC000067740498 174938143 /nfs/dbraw/zinc/93/81/43/174938143.db2.gz NJCLNHADPKCFPV-UHFFFAOYSA-N 0 0 214.268 2.769 50 0 BFAARN COc1cc(C=O)ccc1OCc1cscn1 ZINC000020254008 174977017 /nfs/dbraw/zinc/97/70/17/174977017.db2.gz JIJGWLHURVEHEX-UHFFFAOYSA-N 0 0 249.291 2.543 50 0 BFAARN COc1cc2c(cc1C=O)C=CC(C)(C)O2 ZINC000000337047 175021757 /nfs/dbraw/zinc/02/17/57/175021757.db2.gz WWPCZJVYFGMJPA-UHFFFAOYSA-N 0 0 218.252 2.692 50 0 BFAARN COc1cc2c(cc1C(F)(F)F)NCC2 ZINC000038363854 175021845 /nfs/dbraw/zinc/02/18/45/175021845.db2.gz MCSWKSCZARDPJX-UHFFFAOYSA-N 0 0 217.190 2.682 50 0 BFAARN COc1cc2cccc(OC)c2cc1C=O ZINC000002389427 175027048 /nfs/dbraw/zinc/02/70/48/175027048.db2.gz YBCQBSORAFCHGW-UHFFFAOYSA-N 0 0 216.236 2.670 50 0 BFAARN COc1cc2ccccc2cc1C(=O)NC1CC1 ZINC000008035010 175027429 /nfs/dbraw/zinc/02/74/29/175027429.db2.gz RDIDOILRSLXIDX-UHFFFAOYSA-N 0 0 241.290 2.741 50 0 BFAARN COc1ccc(-c2cn3cc(C)nc3n2C)cc1 ZINC000023170864 175036023 /nfs/dbraw/zinc/03/60/23/175036023.db2.gz AZQQCZZYVXQXKU-UHFFFAOYSA-N 0 0 241.294 2.657 50 0 BFAARN COc1ccc(-c2nc3ccccc3n2O)cc1 ZINC000001396564 175040574 /nfs/dbraw/zinc/04/05/74/175040574.db2.gz BJJILHRRSKZEQX-UHFFFAOYSA-N 0 0 240.262 2.949 50 0 BFAARN COc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000003103744 175042426 /nfs/dbraw/zinc/04/24/26/175042426.db2.gz KXLBDDZCWXWYRL-UHFFFAOYSA-N 0 0 243.310 2.680 50 0 BFAARN COc1ccc(/C=C\C(=O)N2CCCCC2)cc1 ZINC000006090454 175047934 /nfs/dbraw/zinc/04/79/34/175047934.db2.gz ICMXQLGIFUXUMR-YFHOEESVSA-N 0 0 245.322 2.721 50 0 BFAARN COc1ccc(/C=C/c2ccccc2)nn1 ZINC000065408595 175048034 /nfs/dbraw/zinc/04/80/34/175048034.db2.gz OIZZQKHFDLQQFJ-BQYQJAHWSA-N 0 0 212.252 2.656 50 0 BFAARN COc1ccc(C(=O)CN2CCCCCC2)cc1 ZINC000000503670 175053555 /nfs/dbraw/zinc/05/35/55/175053555.db2.gz WBWHTDUNPFNYIH-UHFFFAOYSA-N 0 0 247.338 2.754 50 0 BFAARN COc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000005533456 175055561 /nfs/dbraw/zinc/05/55/61/175055561.db2.gz SGLSSNVBXPORFL-NSHDSACASA-N 0 0 233.311 2.710 50 0 BFAARN COc1ccc(C(=O)Nc2cccnc2)cc1C ZINC000072437817 175063682 /nfs/dbraw/zinc/06/36/82/175063682.db2.gz HHWWOAYPLJWDLE-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(C(=O)Nc2cccc(N)c2)cc1 ZINC000010300748 175064016 /nfs/dbraw/zinc/06/40/16/175064016.db2.gz YNHZHCDOSUFTIW-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1ccc(C(F)(F)F)c(Cl)n1 ZINC000034464361 175070260 /nfs/dbraw/zinc/07/02/60/175070260.db2.gz RZZIQSBRKKMUKG-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN COc1ccc(C)cc1N[C@H](C)c1nc(C)no1 ZINC000036396769 175078311 /nfs/dbraw/zinc/07/83/11/175078311.db2.gz ULSBFMBHOKKTOF-SECBINFHSA-N 0 0 247.298 2.868 50 0 BFAARN COc1ccc(C2(NC(C)=O)CCCC2)cc1 ZINC000064314498 175084838 /nfs/dbraw/zinc/08/48/38/175084838.db2.gz AVTCCAAJBYSTBB-UHFFFAOYSA-N 0 0 233.311 2.601 50 0 BFAARN COc1ccc(C2=NC(C)(C)NC2=S)cc1 ZINC000067240495 175085031 /nfs/dbraw/zinc/08/50/31/175085031.db2.gz WGEVPCTUPFXCOC-UHFFFAOYSA-N 0 0 234.324 2.562 50 0 BFAARN COc1ccc(C=O)c2c(OC)cccc12 ZINC000000271710 175085781 /nfs/dbraw/zinc/08/57/81/175085781.db2.gz QPWMJXDYPQFBAI-UHFFFAOYSA-N 0 0 216.236 2.670 50 0 BFAARN COc1ccc(F)cc1-c1ccc(C=O)cn1 ZINC000002527577 175127695 /nfs/dbraw/zinc/12/76/95/175127695.db2.gz VPAHLIRLUDHRNY-UHFFFAOYSA-N 0 0 231.226 2.709 50 0 BFAARN COc1ccc(NC(=O)C=C(C)C)cc1OC ZINC000022928336 175140755 /nfs/dbraw/zinc/14/07/55/175140755.db2.gz MSNZPEWWQYXSFI-UHFFFAOYSA-N 0 0 235.283 2.609 50 0 BFAARN COc1ccc(NC(=O)N2CCCCC2)cc1 ZINC000000198841 175143283 /nfs/dbraw/zinc/14/32/83/175143283.db2.gz OPWCVPAEKSXDEJ-UHFFFAOYSA-N 0 0 234.299 2.713 50 0 BFAARN COc1ccc(NC(=O)NC2CCCC2)cc1 ZINC000003070603 175143349 /nfs/dbraw/zinc/14/33/49/175143349.db2.gz WPIXJVKWHJUMDA-UHFFFAOYSA-N 0 0 234.299 2.759 50 0 BFAARN COc1ccc(NC(=O)[C@H](C)n2cccc2)cc1 ZINC000006808572 175146941 /nfs/dbraw/zinc/14/69/41/175146941.db2.gz GMWQDGZRFNQCJQ-NSHDSACASA-N 0 0 244.294 2.696 50 0 BFAARN COc1ccc(NC(=O)c2ccco2)cc1 ZINC000000030002 175147366 /nfs/dbraw/zinc/14/73/66/175147366.db2.gz BAPQOHAPCRWHRC-UHFFFAOYSA-N 0 0 217.224 2.541 50 0 BFAARN COc1ccc(NC(=O)c2cccnc2)c(C)c1 ZINC000001055321 175147526 /nfs/dbraw/zinc/14/75/26/175147526.db2.gz MTLFQMMZWOLQNK-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(NC(=O)c2ccco2)cc1OC ZINC000000299924 175147600 /nfs/dbraw/zinc/14/76/00/175147600.db2.gz PQXYUJDLUJQSOP-UHFFFAOYSA-N 0 0 247.250 2.549 50 0 BFAARN COc1ccc(NC2=NCCCS2)cc1 ZINC000000509285 175149760 /nfs/dbraw/zinc/14/97/60/175149760.db2.gz DTZHQSMUSXBSQY-UHFFFAOYSA-N 0 0 222.313 2.600 50 0 BFAARN COc1ccc(NCC(F)(F)F)cc1 ZINC000020056100 175150407 /nfs/dbraw/zinc/15/04/07/175150407.db2.gz JHQJGUVEMQTBRL-UHFFFAOYSA-N 0 0 205.179 2.669 50 0 BFAARN COc1ccc(NCC2CCC2)cc1OC ZINC000083838238 175150549 /nfs/dbraw/zinc/15/05/49/175150549.db2.gz BSEZPWSYHMMUFZ-UHFFFAOYSA-N 0 0 221.300 2.916 50 0 BFAARN COc1ccc(N[C@H](C)c2nc(C)no2)cc1 ZINC000069873790 175155353 /nfs/dbraw/zinc/15/53/53/175155353.db2.gz OXAFTKXJDNSBDD-MRVPVSSYSA-N 0 0 233.271 2.560 50 0 BFAARN COc1ccc(O)c(Cc2ccccc2)c1 ZINC000000405139 175158993 /nfs/dbraw/zinc/15/89/93/175158993.db2.gz ZCVHLCUGDIPDLI-UHFFFAOYSA-N 0 0 214.264 2.992 50 0 BFAARN COc1ccc(OC(F)(F)F)cc1C(C)=O ZINC000015442993 175163054 /nfs/dbraw/zinc/16/30/54/175163054.db2.gz DQIRVWICHOCGCY-UHFFFAOYSA-N 0 0 234.173 2.796 50 0 BFAARN COc1ccc(OCCCn2cc(C)cn2)cc1 ZINC000187154633 175172627 /nfs/dbraw/zinc/17/26/27/175172627.db2.gz VRVKPGXZIGOESQ-UHFFFAOYSA-N 0 0 246.310 2.669 50 0 BFAARN COc1ccc(OCCCn2ccnc2)cc1C ZINC000097114874 175172677 /nfs/dbraw/zinc/17/26/77/175172677.db2.gz LKTWHJSCKSMHLG-UHFFFAOYSA-N 0 0 246.310 2.669 50 0 BFAARN COc1ccc(Oc2ncc(C=O)s2)cc1 ZINC000001402617 175173482 /nfs/dbraw/zinc/17/34/82/175173482.db2.gz LRDAZQVPTYVAAK-UHFFFAOYSA-N 0 0 235.264 2.757 50 0 BFAARN COc1ccc([C@@H]2CCCC[C@H]2O)cc1OC ZINC000001431470 175182528 /nfs/dbraw/zinc/18/25/28/175182528.db2.gz WJLUOTSDBABMCM-NWDGAFQWSA-N 0 0 236.311 2.722 50 0 BFAARN COc1ccc([C@@H]2CCCC[C@@H]2O)cc1 ZINC000000393740 175182884 /nfs/dbraw/zinc/18/28/84/175182884.db2.gz FHVVYVTWZBXZBN-STQMWFEESA-N 0 0 206.285 2.714 50 0 BFAARN COc1ccc2[nH]cc(Br)c2c1 ZINC000021982340 175202410 /nfs/dbraw/zinc/20/24/10/175202410.db2.gz GWHRVHGTNVEUCZ-UHFFFAOYSA-N 0 0 226.073 2.939 50 0 BFAARN COc1ccc2c(cccc2NC(C)=O)c1 ZINC000000393259 175205437 /nfs/dbraw/zinc/20/54/37/175205437.db2.gz HWCBHRKLFWUFOM-UHFFFAOYSA-N 0 0 215.252 2.807 50 0 BFAARN COc1ccc2c(c1)S[C@H](C)CC2=O ZINC000000384050 175213880 /nfs/dbraw/zinc/21/38/80/175213880.db2.gz RXQSTOOILJTLMH-SSDOTTSWSA-N 0 0 208.282 2.762 50 0 BFAARN COc1ccc2c(c1)[nH]c1c2CCCC1=O ZINC000000097318 175223741 /nfs/dbraw/zinc/22/37/41/175223741.db2.gz KVUQFLZVUWYPGW-UHFFFAOYSA-N 0 0 215.252 2.696 50 0 BFAARN COc1ccc2cccc(CCNC(C)=O)c2c1 ZINC000000005608 175226030 /nfs/dbraw/zinc/22/60/30/175226030.db2.gz YJYPHIXNFHFHND-UHFFFAOYSA-N 0 0 243.306 2.527 50 0 biogenic,world BFAARN COc1ccc2nc(C)nc(Cl)c2c1 ZINC000082164295 175227756 /nfs/dbraw/zinc/22/77/56/175227756.db2.gz YOQQPWWCYHJCGV-UHFFFAOYSA-N 0 0 208.648 2.600 50 0 BFAARN COc1cccc(-c2cn3cccc(N)c3n2)c1 ZINC000000129606 175235647 /nfs/dbraw/zinc/23/56/47/175235647.db2.gz LHSVKFUBCQRYRL-UHFFFAOYSA-N 0 0 239.278 2.592 50 0 BFAARN COc1cccc(/C=C/C(=O)NC(C)(C)C)c1 ZINC000016890953 175240507 /nfs/dbraw/zinc/24/05/07/175240507.db2.gz TTYLHFHMEIZBNK-CMDGGOBGSA-N 0 0 233.311 2.623 50 0 BFAARN COc1cccc(/C=C\C(=O)N2CCCCC2)c1 ZINC000098053549 175240682 /nfs/dbraw/zinc/24/06/82/175240682.db2.gz CLCXERMGGJMVMS-HJWRWDBZSA-N 0 0 245.322 2.721 50 0 BFAARN COc1cccc(C(=O)NC2CCCCC2)c1 ZINC000006174691 175244127 /nfs/dbraw/zinc/24/41/27/175244127.db2.gz LNIIHPOXLIONRR-UHFFFAOYSA-N 0 0 233.311 2.758 50 0 BFAARN COc1cccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000000284699 175244528 /nfs/dbraw/zinc/24/45/28/175244528.db2.gz AKECETWCFXSJHA-VXGBXAGGSA-N 0 0 247.338 2.813 50 0 BFAARN COc1cccc(C(=O)c2ccc(C)cc2C)n1 ZINC000045028772 175247196 /nfs/dbraw/zinc/24/71/96/175247196.db2.gz ZGMXOIRUBYTHPA-UHFFFAOYSA-N 0 0 241.290 2.938 50 0 BFAARN COc1cccc(CNC(=O)/C=C\C(C)(C)C)c1 ZINC000096034930 175261590 /nfs/dbraw/zinc/26/15/90/175261590.db2.gz VAFHZVDQURQGQB-HJWRWDBZSA-N 0 0 247.338 2.914 50 0 BFAARN COc1cccc(CNC(=O)c2ccsc2)c1 ZINC000022638028 175263328 /nfs/dbraw/zinc/26/33/28/175263328.db2.gz UJTFDJSIQRELPZ-UHFFFAOYSA-N 0 0 247.319 2.687 50 0 BFAARN COc1cccc(CS[C@H](C)[C@H](C)O)c1 ZINC000079057012 175270942 /nfs/dbraw/zinc/27/09/42/175270942.db2.gz GUSBSIVXZHSHHJ-VHSXEESVSA-N 0 0 226.341 2.698 50 0 BFAARN COc1cccc(F)c1[C@@H](C)Nc1ncccn1 ZINC000078420786 175274270 /nfs/dbraw/zinc/27/42/70/175274270.db2.gz YXFMLUIJOBWCKS-SECBINFHSA-N 0 0 247.273 2.797 50 0 BFAARN COc1cccc(NC(=O)NCc2ccoc2)c1 ZINC000047687839 175276223 /nfs/dbraw/zinc/27/62/23/175276223.db2.gz BOWQXMPVAFSMBP-UHFFFAOYSA-N 0 0 246.266 2.610 50 0 BFAARN COc1cccc(NC(=O)Cc2cccs2)c1 ZINC000000272352 175276255 /nfs/dbraw/zinc/27/62/55/175276255.db2.gz ZDEHGLDCSPBSES-UHFFFAOYSA-N 0 0 247.319 2.938 50 0 BFAARN COc1cccc(NC(=O)N(C)[C@H](C)C2CC2)c1 ZINC000036395935 175276262 /nfs/dbraw/zinc/27/62/62/175276262.db2.gz LHUUZIJEOUWJSU-SNVBAGLBSA-N 0 0 248.326 2.957 50 0 BFAARN COc1cccc(NC(=O)[C@H]2C[C@@H]2C(F)F)c1 ZINC000225748145 175277606 /nfs/dbraw/zinc/27/76/06/175277606.db2.gz RPTXQZCKNVWDKB-UWVGGRQHSA-N 0 0 241.237 2.535 50 0 BFAARN COc1cccc(NCc2ccco2)c1 ZINC000019964006 175279160 /nfs/dbraw/zinc/27/91/60/175279160.db2.gz YAEDHNFGHUNKBQ-UHFFFAOYSA-N 0 0 203.241 2.900 50 0 BFAARN COc1cccc(OC(=O)c2scnc2C)c1 ZINC000076810629 175280577 /nfs/dbraw/zinc/28/05/77/175280577.db2.gz LMXPPBNWZLSHKP-UHFFFAOYSA-N 0 0 249.291 2.679 50 0 BFAARN COc1cccc(OC(=O)c2csc(C)n2)c1 ZINC000065648459 175280713 /nfs/dbraw/zinc/28/07/13/175280713.db2.gz GTGSQINKCPMBPM-UHFFFAOYSA-N 0 0 249.291 2.679 50 0 BFAARN COc1cccc([C@@H]2CCCC[C@@H]2O)c1 ZINC000001765737 175289750 /nfs/dbraw/zinc/28/97/50/175289750.db2.gz MXBZVUAIQKNHIE-STQMWFEESA-N 0 0 206.285 2.714 50 0 BFAARN COc1cccc2cccc(NC(C)=O)c21 ZINC000000345485 175307497 /nfs/dbraw/zinc/30/74/97/175307497.db2.gz HXJRYFGCNVSBAY-UHFFFAOYSA-N 0 0 215.252 2.807 50 0 BFAARN COc1ccccc1/C=C\c1cnccn1 ZINC000005188895 175315738 /nfs/dbraw/zinc/31/57/38/175315738.db2.gz SJLUMZJBWQRCBV-SREVYHEPSA-N 0 0 212.252 2.656 50 0 BFAARN COc1ccccc1C(=O)N1CCC[C@@H](C)C1 ZINC000002774333 175317562 /nfs/dbraw/zinc/31/75/62/175317562.db2.gz QMFRAISWJZVLDG-LLVKDONJSA-N 0 0 233.311 2.567 50 0 BFAARN COc1ccccc1NC(=O)c1cccc(C)n1 ZINC000012942809 175336585 /nfs/dbraw/zinc/33/65/85/175336585.db2.gz VWRUVHGLIZTFLO-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccccc1NC(=O)c1noc(C)c1C ZINC000013641124 175336724 /nfs/dbraw/zinc/33/67/24/175336724.db2.gz WNADZZITJZJHPN-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1ccccc1NC(=O)c1ccc(O)cc1 ZINC000000131992 175336833 /nfs/dbraw/zinc/33/68/33/175336833.db2.gz KIWXSZJDDVQTEE-UHFFFAOYSA-N 0 0 243.262 2.653 50 0 BFAARN COc1ccccc1NC[C@H]1CCC=CO1 ZINC000050267163 175338213 /nfs/dbraw/zinc/33/82/13/175338213.db2.gz INEDZAFRZISYQZ-LLVKDONJSA-N 0 0 219.284 2.800 50 0 BFAARN COc1ccccc1Nc1cccc2nonc21 ZINC000000194995 175339940 /nfs/dbraw/zinc/33/99/40/175339940.db2.gz AHUDRWGEAPOHLU-UHFFFAOYSA-N 0 0 241.250 2.975 50 0 BFAARN COc1ccccc1[C@H](C)NC(=O)c1ccoc1 ZINC000012921892 175350557 /nfs/dbraw/zinc/35/05/57/175350557.db2.gz JAOYFYNSZBQETP-JTQLQIEISA-N 0 0 245.278 2.779 50 0 BFAARN COc1ccncc1NCc1ccsc1 ZINC000095430867 175376061 /nfs/dbraw/zinc/37/60/61/175376061.db2.gz LVCFUTCPENRFCX-UHFFFAOYSA-N 0 0 220.297 2.764 50 0 BFAARN COc1nc(-c2ccc(Cl)cc2)nnc1C ZINC000006921822 175388492 /nfs/dbraw/zinc/38/84/92/175388492.db2.gz VPSFSJFGYPWTBZ-UHFFFAOYSA-N 0 0 235.674 2.509 50 0 BFAARN COc1nc2ccccc2cc1-c1noc(C)n1 ZINC000004717363 175396772 /nfs/dbraw/zinc/39/67/72/175396772.db2.gz RYWJXQIRZOYMBN-UHFFFAOYSA-N 0 0 241.250 2.602 50 0 BFAARN CSC(=S=O)c1cccc2ccccc21 ZINC000000330098 175442175 /nfs/dbraw/zinc/44/21/75/175442175.db2.gz GJLUUUKLQMUNNT-UHFFFAOYSA-N 0 0 234.345 2.894 50 0 BFAARN CS[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000042823576 175553584 /nfs/dbraw/zinc/55/35/84/175553584.db2.gz FMXCBIDTHKJQRL-SECBINFHSA-N 0 0 241.331 2.536 50 0 BFAARN CS[C@H]1CC[C@@H](Nc2nc(C)cnc2C)C1 ZINC000195563869 175569823 /nfs/dbraw/zinc/56/98/23/175569823.db2.gz PVYSCYILDKTKRE-MNOVXSKESA-N 0 0 237.372 2.789 50 0 BFAARN C[C@@H](C(=O)N(C)C1CCCCCC1)n1cccn1 ZINC000032769208 175600520 /nfs/dbraw/zinc/60/05/20/175600520.db2.gz GPJCDDJNAISIML-LBPRGKRZSA-N 0 0 249.358 2.625 50 0 BFAARN C[C@@H](C1CCCCC1)n1c(=O)[nH]nc1C1CC1 ZINC000065403574 175636840 /nfs/dbraw/zinc/63/68/40/175636840.db2.gz SXLHFXJWRNYBID-VIFPVBQESA-N 0 0 235.331 2.590 50 0 BFAARN C[C@@H](CO)CSCc1nc2ccccc2o1 ZINC000085139020 175745362 /nfs/dbraw/zinc/74/53/62/175745362.db2.gz ULSVZDJLPXLBAX-VIFPVBQESA-N 0 0 237.324 2.689 50 0 BFAARN C[C@@H](CSC(C)(C)C)Nc1cnn(C)c1 ZINC000127401521 175764682 /nfs/dbraw/zinc/76/46/82/175764682.db2.gz CZWLEJFADJMWNC-VIFPVBQESA-N 0 0 227.377 2.752 50 0 BFAARN C[C@@H](Cc1ccco1)NC(=O)C1CCCCC1 ZINC000036395887 175775125 /nfs/dbraw/zinc/77/51/25/175775125.db2.gz UBQYJURAICHVPI-NSHDSACASA-N 0 0 235.327 2.907 50 0 BFAARN C[C@@H](Nc1c[nH]nc1-c1ccccn1)C1CC1 ZINC000191459490 175929050 /nfs/dbraw/zinc/92/90/50/175929050.db2.gz GVYDAKXTRRIKIK-SECBINFHSA-N 0 0 228.299 2.682 50 0 BFAARN C[C@@H](O)c1c(Cl)n(C)nc1-c1ccccc1 ZINC000001392058 175997384 /nfs/dbraw/zinc/99/73/84/175997384.db2.gz SNLHRUDQRHIDBN-MRVPVSSYSA-N 0 0 236.702 2.794 50 0 BFAARN C[C@@H](OC[C@H]1CO1)c1ccc(Cl)cc1 ZINC000003389624 176002801 /nfs/dbraw/zinc/00/28/01/176002801.db2.gz JGGQRANUJHVHLH-KCJUWKMLSA-N 0 0 212.676 2.816 50 0 BFAARN C[C@@H](c1ccccc1)N1C(=O)OC(C)(C)[C@@]1(C)O ZINC000000090609 176020316 /nfs/dbraw/zinc/02/03/16/176020316.db2.gz VYPJIHOZAOLARI-IINYFYTJSA-N 0 0 249.310 2.687 50 0 BFAARN C[C@@H]1C(=O)C[C@@H](c2ccco2)N[C@@H]1c1ccco1 ZINC000034685101 176043260 /nfs/dbraw/zinc/04/32/60/176043260.db2.gz ODBXCYFSKSAVDY-BFVZDQMLSA-N 0 0 245.278 2.854 50 0 BFAARN C[C@@H]1C(=O)C[C@H](c2ccco2)N[C@@H]1c1ccco1 ZINC000019537242 176043732 /nfs/dbraw/zinc/04/37/32/176043732.db2.gz ODBXCYFSKSAVDY-RULNRJAQSA-N 0 0 245.278 2.854 50 0 BFAARN C[C@@H]1CCCCN1C(=O)c1cc(C2CC2)on1 ZINC000013363689 176068843 /nfs/dbraw/zinc/06/88/43/176068843.db2.gz KVDKMTXBXMNYPD-SECBINFHSA-N 0 0 234.299 2.567 50 0 BFAARN C[C@@H]1CCCC[C@@H]1CNc1ncnc2oncc21 ZINC000225503659 176077584 /nfs/dbraw/zinc/07/75/84/176077584.db2.gz QWGILTNSMCZXBD-NXEZZACHSA-N 0 0 246.314 2.856 50 0 BFAARN C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccco1 ZINC000040474214 176087283 /nfs/dbraw/zinc/08/72/83/176087283.db2.gz DNDSAZZLMNKKHJ-ZYHUDNBSSA-N 0 0 236.315 2.658 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2cccnc2Cl)C1 ZINC000006250028 176095159 /nfs/dbraw/zinc/09/51/59/176095159.db2.gz HGAPFNVAUJPHIR-SECBINFHSA-N 0 0 238.718 2.607 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000000029758 176095863 /nfs/dbraw/zinc/09/58/63/176095863.db2.gz JOEUOTUBSKBWPN-SNVBAGLBSA-N 0 0 221.275 2.698 50 0 BFAARN C[C@@H]1CCCN([C@@H]2OC(=O)c3ccccc32)C1 ZINC000027662420 176103130 /nfs/dbraw/zinc/10/31/30/176103130.db2.gz JYKDZGJVWHHXFP-ZWNOBZJWSA-N 0 0 231.295 2.588 50 0 BFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1N ZINC000000309803 176115275 /nfs/dbraw/zinc/11/52/75/176115275.db2.gz ZNDUKWZNBHOKHB-GHMZBOCLSA-N 0 0 232.327 2.672 50 0 BFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(N)c1 ZINC000000129485 176115513 /nfs/dbraw/zinc/11/55/13/176115513.db2.gz AUTUHEFLBFXENV-GHMZBOCLSA-N 0 0 232.327 2.672 50 0 BFAARN C[C@@H]1CCC[C@H](CC[N@@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000237607435 176136700 /nfs/dbraw/zinc/13/67/00/176136700.db2.gz OMAFQQGOPKTRBJ-JHJVBQTASA-N 0 0 239.359 2.752 50 0 BFAARN C[C@@H]1CCCc2sc3ncnc(N)c3c21 ZINC000012404913 176153749 /nfs/dbraw/zinc/15/37/49/176153749.db2.gz HHDQALFTQXKWNB-ZCFIWIBFSA-N 0 0 219.313 2.713 50 0 BFAARN C[C@@H]1CCCc2sc3ncn4ncnc4c3c21 ZINC000000507119 176154159 /nfs/dbraw/zinc/15/41/59/176154159.db2.gz LXWVEQIRZPPWES-SSDOTTSWSA-N 0 0 244.323 2.779 50 0 BFAARN C[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC000095626808 176160066 /nfs/dbraw/zinc/16/00/66/176160066.db2.gz RYCYZQNRKAYABF-MRVPVSSYSA-N 0 0 235.274 2.899 50 0 BFAARN C[C@@H]1CN(Cc2cc(F)ccc2F)C[C@@H](C)O1 ZINC000023280373 176301753 /nfs/dbraw/zinc/30/17/53/176301753.db2.gz QKXZECVENBQXPC-NXEZZACHSA-N 0 0 241.281 2.574 50 0 BFAARN C[C@@H]1CN(Cc2ccc(F)cc2F)C[C@@H](C)O1 ZINC000019606784 176304447 /nfs/dbraw/zinc/30/44/47/176304447.db2.gz VMZLJDJODGHFPC-NXEZZACHSA-N 0 0 241.281 2.574 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)CC(C)(C)C)C1 ZINC000001456517 176359596 /nfs/dbraw/zinc/35/95/96/176359596.db2.gz FOOJLMYCTOSUCR-GHMZBOCLSA-N 0 0 211.349 2.927 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000000372122 176431823 /nfs/dbraw/zinc/43/18/23/176431823.db2.gz JLDUFFNPANUXPU-BXKDBHETSA-N 0 0 237.730 2.655 50 0 BFAARN C[C@@]1(C(=O)Nc2ccncc2)CC1(Cl)Cl ZINC000011535861 176527284 /nfs/dbraw/zinc/52/72/84/176527284.db2.gz LSKUAKBTZWKYBO-VIFPVBQESA-N 0 0 245.109 2.604 50 0 BFAARN C[C@@]12CCc3ccccc3[C@@]1(C)OC(=O)O2 ZINC000004127531 176549889 /nfs/dbraw/zinc/54/98/89/176549889.db2.gz RZFWPUPZZRXZLU-CHWSQXEVSA-N 0 0 218.252 2.774 50 0 BFAARN C[C@H](C(=O)[O-])[N@H+](C)Cc1csc2ccccc12 ZINC000111312653 176583990 /nfs/dbraw/zinc/58/39/90/176583990.db2.gz JWFBLCKATLCQFO-SECBINFHSA-N 0 0 249.335 2.806 50 0 BFAARN C[C@H](C1CC1)N(C(=O)c1ccncc1F)C1CC1 ZINC000096420474 176590701 /nfs/dbraw/zinc/59/07/01/176590701.db2.gz JSHQMARPCQMMCQ-SECBINFHSA-N 0 0 248.301 2.624 50 0 BFAARN C[C@H](Cc1ccco1)NC(=O)CC(C)(C)C ZINC000040074726 176725260 /nfs/dbraw/zinc/72/52/60/176725260.db2.gz PZOFYOKWBUCVJF-SNVBAGLBSA-N 0 0 223.316 2.763 50 0 BFAARN C[C@H](NC(=O)c1cccc(F)c1)c1ccccn1 ZINC000012546121 176819543 /nfs/dbraw/zinc/81/95/43/176819543.db2.gz FTRNVWABSATDAZ-JTQLQIEISA-N 0 0 244.269 2.712 50 0 BFAARN C[C@H](O)Cc1cc(F)ccc1Br ZINC000053784405 177002144 /nfs/dbraw/zinc/00/21/44/177002144.db2.gz IYHLRAUXPBWMSR-LURJTMIESA-N 0 0 233.080 2.512 50 0 BFAARN C[C@H](O)c1cccc(OC(F)(F)F)c1 ZINC000015442964 177017558 /nfs/dbraw/zinc/01/75/58/177017558.db2.gz BWANKNAGTRWECQ-LURJTMIESA-N 0 0 206.163 2.639 50 0 BFAARN C[C@H](OCC(F)(F)F)C(=O)Nc1ccccc1 ZINC000040092839 177020336 /nfs/dbraw/zinc/02/03/36/177020336.db2.gz WVHHCDAKNFEQEF-QMMMGPOBSA-N 0 0 247.216 2.593 50 0 BFAARN C[C@H](Oc1ccc(Cl)cc1)c1ccnc(N)n1 ZINC000001399905 177022739 /nfs/dbraw/zinc/02/27/39/177022739.db2.gz WOLAWBYIEFHDQW-QMMMGPOBSA-N 0 0 249.701 2.852 50 0 BFAARN C[C@H](c1ccco1)N(C)C(=O)c1ccco1 ZINC000071866979 177048030 /nfs/dbraw/zinc/04/80/30/177048030.db2.gz SGYVYVLMPADUDL-SECBINFHSA-N 0 0 219.240 2.706 50 0 BFAARN C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000008730782 177077672 /nfs/dbraw/zinc/07/76/72/177077672.db2.gz CRQNAJHQJCQBRW-NSHDSACASA-N 0 0 233.311 2.759 50 0 BFAARN C[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000032747700 177091719 /nfs/dbraw/zinc/09/17/19/177091719.db2.gz PDQUUMDIZMXOOE-RYUDHWBXSA-N 0 0 207.317 2.601 50 0 BFAARN C[C@H]1CCCN(C(=O)CCc2ccsc2)C1 ZINC000032721992 177091914 /nfs/dbraw/zinc/09/19/14/177091914.db2.gz SHLHVVCAIWGMSZ-NSHDSACASA-N 0 0 237.368 2.939 50 0 BFAARN C[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000000473885 177092911 /nfs/dbraw/zinc/09/29/11/177092911.db2.gz PLTSENDLOHFIRG-NSHDSACASA-N 0 0 224.348 2.761 50 0 BFAARN C[C@H]1CCC[C@@H](NC(=O)COc2ccccc2)C1 ZINC000000406707 177121618 /nfs/dbraw/zinc/12/16/18/177121618.db2.gz JBWQWECAMPHZCG-QWHCGFSZSA-N 0 0 247.338 2.760 50 0 BFAARN C[C@H]1CCCc2c1oc1c(c2=O)CCCC1 ZINC000000384448 177144459 /nfs/dbraw/zinc/14/44/59/177144459.db2.gz AHYATZNKVQSUPC-VIFPVBQESA-N 0 0 218.296 2.958 50 0 BFAARN C[C@H]1CCCc2sc3ncn4ncnc4c3c21 ZINC000000507118 177145490 /nfs/dbraw/zinc/14/54/90/177145490.db2.gz LXWVEQIRZPPWES-ZETCQYMHSA-N 0 0 244.323 2.779 50 0 BFAARN C[C@H]1CCCc2sc3ncn4cnnc4c3c21 ZINC000000545804 177145514 /nfs/dbraw/zinc/14/55/14/177145514.db2.gz MGUFDDRFNBXHHY-ZETCQYMHSA-N 0 0 244.323 2.779 50 0 BFAARN C[C@@H]1C[C@@H](C)CCN1C(=O)Nc1cccnc1 ZINC000095400067 177151356 /nfs/dbraw/zinc/15/13/56/177151356.db2.gz GJLGBBVJBBFWQW-WDEREUQCSA-N 0 0 233.315 2.734 50 0 BFAARN C[C@H]1CN(C(=O)CCC2CCCC2)C[C@H](C)O1 ZINC000016603374 177215158 /nfs/dbraw/zinc/21/51/58/177215158.db2.gz HDNKGZNBHFWRBK-RYUDHWBXSA-N 0 0 239.359 2.593 50 0 BFAARN C[C@@H](c1ccc(F)cc1)N1CCO[C@@H](C)C1 ZINC000032865552 177273670 /nfs/dbraw/zinc/27/36/70/177273670.db2.gz QQULBPAWSHVMCJ-QWRGUYRKSA-N 0 0 223.291 2.607 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)CCc2cccnc2)C1 ZINC000032747735 177310698 /nfs/dbraw/zinc/31/06/98/177310698.db2.gz VEWWSQCROMDKAF-BETUJISGSA-N 0 0 246.354 2.519 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccsc2)C1 ZINC000032731181 177312095 /nfs/dbraw/zinc/31/20/95/177312095.db2.gz YKSGDGJNHNHHPE-AOOOYVTPSA-N 0 0 223.341 2.866 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)N(C)CC1CCCCC1 ZINC000043979905 177339233 /nfs/dbraw/zinc/33/92/33/177339233.db2.gz DSAMOXVUXWYRKI-JQWIXIFHSA-N 0 0 209.333 2.681 50 0 BFAARN C[C@H]1C[C@H](SCc2ccccc2)C(=O)O1 ZINC000065576087 177374689 /nfs/dbraw/zinc/37/46/89/177374689.db2.gz OADPXXKPBOQIBJ-ONGXEEELSA-N 0 0 222.309 2.624 50 0 BFAARN C[C@H]1C[C@H]1C(=O)Nc1ccccc1Cl ZINC000014373337 177376718 /nfs/dbraw/zinc/37/67/18/177376718.db2.gz JUIGCSWMUCBRRG-JGVFFNPUSA-N 0 0 209.676 2.935 50 0 BFAARN C[C@]1(O)CCc2c(ccc3ccccc32)O1 ZINC000000401266 177476749 /nfs/dbraw/zinc/47/67/49/177476749.db2.gz KKLSFNQVBXLPJO-CQSZACIVSA-N 0 0 214.264 2.873 50 0 BFAARN Cc1[nH]c2ccccc2c1C(=O)NCC(C)C ZINC000012977778 177512923 /nfs/dbraw/zinc/51/29/23/177512923.db2.gz LXYJENFXAROYLU-UHFFFAOYSA-N 0 0 230.311 2.862 50 0 BFAARN Cc1[nH]c2ccccc2c1C[C@@H]1C[C@H](C)OC1=O ZINC000000518773 177514863 /nfs/dbraw/zinc/51/48/63/177514863.db2.gz LBCSSFHBUUXFJE-ONGXEEELSA-N 0 0 243.306 2.970 50 0 biogenic BFAARN Cc1c2[nH]c(=NN)sc2ccc1Cl ZINC000002455667 177599127 /nfs/dbraw/zinc/59/91/27/177599127.db2.gz QKNNCNAIIINUMQ-UHFFFAOYSA-N 0 0 213.693 2.544 50 0 BFAARN CCNC(=O)NCC1CCc2ccccc2CC1 ZINC000527632619 262867298 /nfs/dbraw/zinc/86/72/98/262867298.db2.gz QUPDXHRSIXUBDK-UHFFFAOYSA-N 0 0 246.354 2.501 50 0 BFAARN CC(C)(C)CNC(=O)Nc1ccccc1 ZINC000074921515 262923917 /nfs/dbraw/zinc/92/39/17/262923917.db2.gz RPMCKPSZFXLNQP-UHFFFAOYSA-N 0 0 206.289 2.854 50 0 BFAARN O=C(C1CC2(CCC2)C1)N1CCC=C(F)C1 ZINC000335497490 487819867 /nfs/dbraw/zinc/81/98/67/487819867.db2.gz RYEKIRLVIDGVCH-UHFFFAOYSA-N 0 0 223.291 2.652 50 0 BFAARN C[C@H]1OCCN(C(=O)C2CCCCCC2)[C@H]1C ZINC000095967982 322947271 /nfs/dbraw/zinc/94/72/71/322947271.db2.gz LDQFGXJJMPERDS-NWDGAFQWSA-N 0 0 239.359 2.593 50 0 BFAARN Cc1cc(C[N@@H+](CCC(C)C)C2CC2)no1 ZINC000045751787 487922774 /nfs/dbraw/zinc/92/27/74/487922774.db2.gz ODUTWOWQYQWOGU-UHFFFAOYSA-N 0 0 222.332 2.994 50 0 BFAARN O=C(Nc1cn[nH]c1)N1CCC[C@@H]1C1CCCC1 ZINC000048961182 487937052 /nfs/dbraw/zinc/93/70/52/487937052.db2.gz XFWUVYPDNWANME-GFCCVEGCSA-N 0 0 248.330 2.596 50 0 BFAARN CCOc1ncccc1-c1nccn1C(C)C ZINC000534650591 323157439 /nfs/dbraw/zinc/15/74/39/323157439.db2.gz RLXSTVLWBHZWFC-UHFFFAOYSA-N 0 0 231.299 2.925 50 0 BFAARN COc1ccc(CO[C@@H]2OCCC2(C)C)cc1 ZINC000043199275 323161794 /nfs/dbraw/zinc/16/17/94/323161794.db2.gz RCKWNOZQJXPMEG-ZDUSSCGKSA-N 0 0 236.311 2.984 50 0 BFAARN c1csc(NCCCOC2CCCC2)n1 ZINC000308872816 323172111 /nfs/dbraw/zinc/17/21/11/323172111.db2.gz ZRUVOMKBTAYIDA-UHFFFAOYSA-N 0 0 226.345 2.904 50 0 BFAARN Cc1occc1S[C@H](C(=O)N(C)C)C(C)C ZINC000131467124 325153394 /nfs/dbraw/zinc/15/33/94/325153394.db2.gz OJEIIVVHHKNIGH-NSHDSACASA-N 0 0 241.356 2.793 50 0 BFAARN COC(C)(C)c1noc([C@@H]2CC=CCC2)n1 ZINC000089775567 325669242 /nfs/dbraw/zinc/66/92/42/325669242.db2.gz KVWUSBCOUCYRSS-SECBINFHSA-N 0 0 222.288 2.775 50 0 BFAARN C[C@@H](C(=O)N1CCCCC1)c1ccsc1 ZINC000089913459 325670798 /nfs/dbraw/zinc/67/07/98/325670798.db2.gz CUDGFIUWLJBWFA-SNVBAGLBSA-N 0 0 223.341 2.864 50 0 BFAARN CC/C=C\CCSc1nncs1 ZINC000307946372 326120935 /nfs/dbraw/zinc/12/09/35/326120935.db2.gz JQSFTJXLVQTYMC-ARJAWSKDSA-N 0 0 200.332 2.987 50 0 BFAARN Cc1oncc1CN1CCc2sccc2C1 ZINC000158609296 326331717 /nfs/dbraw/zinc/33/17/17/326331717.db2.gz BZRWEAQTHVPIBI-UHFFFAOYSA-N 0 0 234.324 2.603 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012935414 488051485 /nfs/dbraw/zinc/05/14/85/488051485.db2.gz QOLBXVOSHWEJAO-JTQLQIEISA-N 0 0 249.310 2.833 50 0 BFAARN CC(C)COC[C@H](C)NC(=O)OC(C)(C)C ZINC000084544407 488058264 /nfs/dbraw/zinc/05/82/64/488058264.db2.gz BGDVGNKYIINTTH-JTQLQIEISA-N 0 0 231.336 2.572 50 0 BFAARN Cc1cnc(-c2ncnn2C2CCCCC2)cn1 ZINC000091651258 488057970 /nfs/dbraw/zinc/05/79/70/488057970.db2.gz QDCFBABFEMNODD-UHFFFAOYSA-N 0 0 243.314 2.549 50 0 BFAARN CCC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OCC ZINC000084740607 488089429 /nfs/dbraw/zinc/08/94/29/488089429.db2.gz YTWLYZARXLUWAX-JHJVBQTASA-N 0 0 241.375 2.887 50 0 BFAARN CC(C)N(C(=O)c1ccccc1)C(C)C ZINC000000028308 487470891 /nfs/dbraw/zinc/47/08/91/487470891.db2.gz UYXMMJPYFKRKKM-UHFFFAOYSA-N 0 0 205.301 2.946 50 0 BFAARN COc1cccc(-c2ncnn2C(C)(C)C)c1F ZINC000670437721 487487162 /nfs/dbraw/zinc/48/71/62/487487162.db2.gz MSFWOMBPRDYPNF-UHFFFAOYSA-N 0 0 249.289 2.848 50 0 BFAARN Cc1ccncc1[C@@H](C)N[C@@H](C)c1nccn1C ZINC000678770294 488281202 /nfs/dbraw/zinc/28/12/02/488281202.db2.gz LCTJIIZXCOPGIL-NEPJUHHUSA-N 0 0 244.342 2.535 50 0 BFAARN COC(=O)c1c(F)cc(C)cc1Br ZINC000261507287 490271944 /nfs/dbraw/zinc/27/19/44/490271944.db2.gz HDXDWSSDZMVCKV-UHFFFAOYSA-N 0 0 247.063 2.683 50 0 BFAARN c1cn2c(cccc2-c2ccc3c(c2)CCN3)n1 ZINC000128038811 490568349 /nfs/dbraw/zinc/56/83/49/490568349.db2.gz HMTZAVLCKCHWIZ-UHFFFAOYSA-N 0 0 235.290 2.969 50 0 BFAARN COC(=O)c1ccc(-c2nc(C)cs2)cc1 ZINC000039947596 491110812 /nfs/dbraw/zinc/11/08/12/491110812.db2.gz FFONRRVXTKXMDU-UHFFFAOYSA-N 0 0 233.292 2.905 50 0 BFAARN CCCCNC(=O)c1cccc2cccnc21 ZINC000084744608 491128371 /nfs/dbraw/zinc/12/83/71/491128371.db2.gz DTVYVTJSOLPRBA-UHFFFAOYSA-N 0 0 228.295 2.765 50 0 BFAARN Cc1ccc(C)c(CNc2ncccc2CO)c1 ZINC000083370570 491161393 /nfs/dbraw/zinc/16/13/93/491161393.db2.gz LSJGXRKTPNYITI-UHFFFAOYSA-N 0 0 242.322 2.803 50 0 BFAARN CC(=O)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000253414145 519701275 /nfs/dbraw/zinc/70/12/75/519701275.db2.gz WPHXFPHKDGWQNN-ZDUSSCGKSA-N 0 0 228.295 2.681 50 0 biogenic BFAARN CC(C)(C)C(=O)N1CCOC2(CCCCC2)C1 ZINC000174459247 534452298 /nfs/dbraw/zinc/45/22/98/534452298.db2.gz KYPRUNOXAHWKSQ-UHFFFAOYSA-N 0 0 239.359 2.594 50 0 BFAARN CCCCC[C@@H]1C[C@H](O)C=C(C)[C@H]1C(=O)OC ZINC000239432854 520295408 /nfs/dbraw/zinc/29/54/08/520295408.db2.gz WQGFGVARUZYEFH-JHJVBQTASA-N 0 0 240.343 2.683 50 0 biogenic BFAARN CCCCC[C@@H]1C[C@@H](O)C=C(C)[C@H]1C(=O)OC ZINC000239432853 520295430 /nfs/dbraw/zinc/29/54/30/520295430.db2.gz WQGFGVARUZYEFH-FRRDWIJNSA-N 0 0 240.343 2.683 50 0 biogenic BFAARN CCCCOCc1ncnn1-c1cccc(C)c1 ZINC000092036842 520812335 /nfs/dbraw/zinc/81/23/35/520812335.db2.gz MWPXEVSRLXDTKW-UHFFFAOYSA-N 0 0 245.326 2.892 50 0 BFAARN CCOc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000244842360 521255549 /nfs/dbraw/zinc/25/55/49/521255549.db2.gz UPIVXKPPLYIXHK-SUNKGSAMSA-N 0 0 247.338 2.919 50 0 BFAARN CCOCCC(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000071915299 521675528 /nfs/dbraw/zinc/67/55/28/521675528.db2.gz BSTWGBGXHHCEQQ-ZDUSSCGKSA-N 0 0 249.354 2.641 50 0 BFAARN COC(=O)c1ccc2c(Cl)c[nH]c2c1 ZINC000139724703 522178747 /nfs/dbraw/zinc/17/87/47/522178747.db2.gz JNCDQCOYUDDOLU-UHFFFAOYSA-N 0 0 209.632 2.608 50 0 BFAARN CC[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000245226463 522501050 /nfs/dbraw/zinc/50/10/50/522501050.db2.gz YMQQSDJUYGKVDD-RTXFEEFZSA-N 0 0 217.312 2.910 50 0 BFAARN CCc1noc(CN(CCC(C)C)C2CC2)n1 ZINC000069416758 522898409 /nfs/dbraw/zinc/89/84/09/522898409.db2.gz VTECLNRNCZEUIV-UHFFFAOYSA-N 0 0 237.347 2.643 50 0 BFAARN COCCCSc1nnc(C2CC2)s1 ZINC000074795069 523442577 /nfs/dbraw/zinc/44/25/77/523442577.db2.gz MFQUMRPXRFHVDH-UHFFFAOYSA-N 0 0 230.358 2.544 50 0 BFAARN CC[C@H](C)CN(C)C(=O)NCc1ccsc1 ZINC000078924940 523863114 /nfs/dbraw/zinc/86/31/14/523863114.db2.gz YWGSWTZIPSWCIN-JTQLQIEISA-N 0 0 240.372 2.936 50 0 BFAARN C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H]1CCCO1 ZINC000247972204 524133636 /nfs/dbraw/zinc/13/36/36/524133636.db2.gz BBQWZIJITHOIIS-UPJWGTAASA-N 0 0 239.359 2.641 50 0 BFAARN C[C@@H](Cc1ccco1)NC(=O)C[C@@H]1C=CCC1 ZINC000040074699 524925530 /nfs/dbraw/zinc/92/55/30/524925530.db2.gz PSQFORNGHDVYMZ-NWDGAFQWSA-N 0 0 233.311 2.683 50 0 BFAARN C[S@@](=O)/C(Cl)=C\c1cccs1 ZINC000252508107 525359559 /nfs/dbraw/zinc/35/95/59/525359559.db2.gz XDCGAOUMMVCFIZ-JPVGGKMYSA-N 0 0 206.719 2.664 50 0 BFAARN C[C@@H]1C[C@H]1c1ccc(C=C2SC(=O)NC2=O)o1 ZINC000253419596 525502968 /nfs/dbraw/zinc/50/29/68/525502968.db2.gz FSWLCORFLUTWKN-VACIDYQJSA-N 0 0 249.291 2.727 50 0 BFAARN C[C@@H]1[C@H]2CCC[C@H](C2=O)[C@]2(O)CCCC[C@H]12 ZINC000252694098 525714099 /nfs/dbraw/zinc/71/40/99/525714099.db2.gz HZMOLOUVPKADBE-SKENRDBWSA-N 0 0 222.328 2.543 50 0 biogenic BFAARN Cc1ccc([C@@H](C)NCc2noc(C(C)C)n2)o1 ZINC000182573312 525736317 /nfs/dbraw/zinc/73/63/17/525736317.db2.gz VKCRFHXZTNJVMQ-SNVBAGLBSA-N 0 0 249.314 2.945 50 0 BFAARN C[C@H](SCCc1ccccc1)C(=O)NC1CC1 ZINC000095431608 525975797 /nfs/dbraw/zinc/97/57/97/525975797.db2.gz BLDYTTQVXBMCCM-NSHDSACASA-N 0 0 249.379 2.629 50 0 BFAARN O=C(CC[C@@H]1CCCO1)NCC1CCCCC1 ZINC000040505992 526555576 /nfs/dbraw/zinc/55/55/76/526555576.db2.gz MEFYONSHTKZIPZ-ZDUSSCGKSA-N 0 0 239.359 2.642 50 0 BFAARN O=C(NCc1ccccc1Cl)NCC1CC1 ZINC000057536026 526746952 /nfs/dbraw/zinc/74/69/52/526746952.db2.gz WAOBGCFIEVQMNN-UHFFFAOYSA-N 0 0 238.718 2.549 50 0 BFAARN CC(=O)Nc1ccc2nc(C)ccc2c1 ZINC000000190022 527029870 /nfs/dbraw/zinc/02/98/70/527029870.db2.gz ZWLXQDPVQTXRLQ-UHFFFAOYSA-N 0 0 200.241 2.502 50 0 BFAARN Nc1ccc2cc(C(F)(F)F)cnc2c1 ZINC000261508676 527509373 /nfs/dbraw/zinc/50/93/73/527509373.db2.gz VTUYZLRLWZEADB-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN O[C@@H]1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@@H]1[C@H]23 ZINC000216396401 527679498 /nfs/dbraw/zinc/67/94/98/527679498.db2.gz CFWGFWXYQMMSFE-CQOGHXNDSA-N 0 0 224.303 2.883 50 0 BFAARN Cc1ncc(I)c(C)c1C ZINC000147868411 582607966 /nfs/dbraw/zinc/60/79/66/582607966.db2.gz REILAGUVLPLNIB-UHFFFAOYSA-N 0 0 247.079 2.611 50 0 BFAARN COc1cc(-c2cc(C=O)ccc2F)ccn1 ZINC000122665029 582965795 /nfs/dbraw/zinc/96/57/95/582965795.db2.gz CPYSSPBITRSREP-UHFFFAOYSA-N 0 0 231.226 2.709 50 0 BFAARN C=CC(=O)N1CC[C@@H](c2csc(C)c2)C1 ZINC000888098867 583181125 /nfs/dbraw/zinc/18/11/25/583181125.db2.gz UUMNKNJDDVBLRK-SNVBAGLBSA-N 0 0 221.325 2.558 50 0 BFAARN CC(C)C[C@@H](C(=O)NC(C)(C)C)n1cccc1 ZINC000888105084 583185296 /nfs/dbraw/zinc/18/52/96/583185296.db2.gz WPHWNCMETIICGV-LBPRGKRZSA-N 0 0 236.359 2.990 50 0 BFAARN CC(=O)c1cnc2cc([Si](C)(C)C)oc2c1 ZINC000169794248 583947208 /nfs/dbraw/zinc/94/72/08/583947208.db2.gz PQSVBIPUESNCDX-UHFFFAOYSA-N 0 0 233.343 2.576 50 0 BFAARN Cc1cc2cccc(Br)c2c(=O)[nH]1 ZINC000125308069 584887825 /nfs/dbraw/zinc/88/78/25/584887825.db2.gz AKZYODAXWHQLGP-UHFFFAOYSA-N 0 0 238.084 2.599 50 0 BFAARN C=CC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000791350816 585978510 /nfs/dbraw/zinc/97/85/10/585978510.db2.gz BNJDBQAGXSTKOH-CQSZACIVSA-N 0 0 215.296 2.830 50 0 BFAARN C=CC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000791380406 585979828 /nfs/dbraw/zinc/97/98/28/585979828.db2.gz QPJRATHUJYSWIM-XPTSAGLGSA-N 0 0 233.286 2.751 50 0 BFAARN C=CC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000791388867 585979988 /nfs/dbraw/zinc/97/99/88/585979988.db2.gz CFGLPURFECBQLM-UHFFFAOYSA-N 0 0 241.294 2.575 50 0 BFAARN Fc1ccc(-c2cc(-c3cc[nH]n3)on2)cc1 ZINC000864045288 589333705 /nfs/dbraw/zinc/33/37/05/589333705.db2.gz PUOINIYFCUUFIT-UHFFFAOYSA-N 0 0 229.214 2.871 50 0 BFAARN CCCc1cncc(OCc2nnc(C)s2)c1 ZINC000864090946 589343533 /nfs/dbraw/zinc/34/35/33/589343533.db2.gz GRCGFGURPZUDQD-UHFFFAOYSA-N 0 0 249.339 2.773 50 0 BFAARN CCn1cc(CNc2cncc(SC)c2)cn1 ZINC000870999572 589708096 /nfs/dbraw/zinc/70/80/96/589708096.db2.gz PBRRPKKIOODCDJ-UHFFFAOYSA-N 0 0 248.355 2.632 50 0 BFAARN Cc1cc(C)n(-c2ccc(C=O)cc2C)n1 ZINC000020440276 590110213 /nfs/dbraw/zinc/11/02/13/590110213.db2.gz HUEBGQCKTDYEOQ-UHFFFAOYSA-N 0 0 214.268 2.610 50 0 BFAARN CCCCSC[C@@H](COC(C)C)OC(C)=O ZINC000002977586 632018261 /nfs/dbraw/zinc/01/82/61/632018261.db2.gz QPPPCVIPIYILKC-GFCCVEGCSA-N 0 0 248.388 2.876 50 0 BFAARN Cc1cc(Cl)cc(C(=O)C2CC2)c1O ZINC000052068507 632062518 /nfs/dbraw/zinc/06/25/18/632062518.db2.gz TXBHJCDMPGLWGW-UHFFFAOYSA-N 0 0 210.660 2.947 50 0 BFAARN CCOc1ncccc1-c1nc(C)ncc1C ZINC000426683740 635759581 /nfs/dbraw/zinc/75/95/81/635759581.db2.gz FJDQQPIAWZTETP-UHFFFAOYSA-N 0 0 229.283 2.554 50 0 BFAARN CC(=O)C[C@]1(C)Nc2ccccc2S1 ZINC000000983351 632669537 /nfs/dbraw/zinc/66/95/37/632669537.db2.gz HWKQLFDRXPYESK-LLVKDONJSA-N 0 0 207.298 2.900 50 0 BFAARN Cc1cc(C)c(-c2cnc(N)cn2)c(C)c1 ZINC000032541355 635323284 /nfs/dbraw/zinc/32/32/84/635323284.db2.gz UZDIZDQVMTYOEQ-UHFFFAOYSA-N 0 0 213.284 2.651 50 0 BFAARN C=CC(=O)N[C@H]1C[C@H](c2cccc(C)c2)C1 ZINC000888098550 635375767 /nfs/dbraw/zinc/37/57/67/635375767.db2.gz KIXKEFBDIXWLET-JOCQHMNTSA-N 0 0 215.296 2.543 50 0 BFAARN c1csc(-c2noc(-c3ccccn3)n2)c1 ZINC000006701459 635474904 /nfs/dbraw/zinc/47/49/04/635474904.db2.gz MULALHDTGPNMOP-UHFFFAOYSA-N 0 0 229.264 2.860 50 0 BFAARN C/C=C\CSc1nnc(C(C)(C)C)[nH]1 ZINC000090135284 636538113 /nfs/dbraw/zinc/53/81/13/636538113.db2.gz GDWUNGAPMJFHKG-WAYWQWQTSA-N 0 0 211.334 2.770 50 0 BFAARN COc1ccc([C@H](C)N(C)Cc2ncc[nH]2)cc1 ZINC000109828324 636672014 /nfs/dbraw/zinc/67/20/14/636672014.db2.gz XQKHQVQWCCOFLQ-NSHDSACASA-N 0 0 245.326 2.611 50 0 BFAARN COc1ccc([C@@H](C)N(C)Cc2ncc[nH]2)cc1 ZINC000109828327 636672452 /nfs/dbraw/zinc/67/24/52/636672452.db2.gz XQKHQVQWCCOFLQ-LLVKDONJSA-N 0 0 245.326 2.611 50 0 BFAARN Cc1cc(C)c(-n2cccn2)c(-c2ncc[nH]2)c1 ZINC000067605790 636722974 /nfs/dbraw/zinc/72/29/74/636722974.db2.gz NZKZEHABBJVDPE-UHFFFAOYSA-N 0 0 238.294 2.879 50 0 BFAARN O=C1CC[C@@]2(c3ccccc3)CCCC[C@@H]2N1 ZINC000022339814 641203010 /nfs/dbraw/zinc/20/30/10/641203010.db2.gz XYFGEZKHSOPVRG-DZGCQCFKSA-N 0 0 229.323 2.777 50 0 BFAARN CC[C@@H]1OC[C@@H]2Cc3ccccc3[C@@H]2O1 ZINC000022339208 641204772 /nfs/dbraw/zinc/20/47/72/641204772.db2.gz GRUQFUUIIULWTC-CYZMBNFOSA-N 0 0 204.269 2.683 50 0 BFAARN Cc1cccc2c(-c3cnc(N)nc3)c[nH]c21 ZINC000032498412 641331049 /nfs/dbraw/zinc/33/10/49/641331049.db2.gz AQSAIABWGGXEIO-UHFFFAOYSA-N 0 0 224.267 2.516 50 0 BFAARN CCC[C@@H](O)c1ccc(-c2cncnc2)cc1 ZINC000032550978 641365706 /nfs/dbraw/zinc/36/57/06/641365706.db2.gz OZHMMMHYGBLSGR-CQSZACIVSA-N 0 0 228.295 2.977 50 0 BFAARN CSc1ccc(O)c2nc(C)ccc12 ZINC000075606407 641764032 /nfs/dbraw/zinc/76/40/32/641764032.db2.gz VHLRUMKNIPTBHG-UHFFFAOYSA-N 0 0 205.282 2.971 50 0 BFAARN Cc1ncsc1/C=C1\C(=O)Nc2ccccc21 ZINC000078692100 641945133 /nfs/dbraw/zinc/94/51/33/641945133.db2.gz FYPGUDIMWNDDGO-POHAHGRESA-N 0 0 242.303 2.944 50 0 BFAARN O=C(/C=C\c1ccco1)NC1CCCCC1 ZINC000033329127 642066096 /nfs/dbraw/zinc/06/60/96/642066096.db2.gz PGYYMOZMCYSXOG-HJWRWDBZSA-N 0 0 219.284 2.742 50 0 BFAARN Nc1cccc(-c2noc(C3CCC3)n2)c1 ZINC000035697100 642402431 /nfs/dbraw/zinc/40/24/31/642402431.db2.gz FPNWAEPWAWPPKQ-UHFFFAOYSA-N 0 0 215.256 2.586 50 0 BFAARN Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC=O ZINC000000190969 642751356 /nfs/dbraw/zinc/75/13/56/642751356.db2.gz CXCVCIXZMDJVSW-CYBMUJFWSA-N 0 0 228.295 2.600 50 0 BFAARN CCOC(=O)/C=C/[C@H]1C[C@H]1c1ccccc1 ZINC000000207734 642755204 /nfs/dbraw/zinc/75/52/04/642755204.db2.gz PEEFCGIMKBGSEH-TYDXBBDOSA-N 0 0 216.280 2.909 50 0 BFAARN COc1ccccc1OCCCCn1ccnc1 ZINC000016662197 642983200 /nfs/dbraw/zinc/98/32/00/642983200.db2.gz PLZPLOXJGGYEQN-UHFFFAOYSA-N 0 0 246.310 2.751 50 0 BFAARN Cc1ncsc1/C=C1/C(=O)Nc2ccccc21 ZINC000078931681 643139588 /nfs/dbraw/zinc/13/95/88/643139588.db2.gz FYPGUDIMWNDDGO-UXBLZVDNSA-N 0 0 242.303 2.944 50 0 BFAARN Nc1ccc(Cl)c(Br)c1F ZINC000075926084 643179514 /nfs/dbraw/zinc/17/95/14/643179514.db2.gz NNEAPESSFSAYBJ-UHFFFAOYSA-N 0 0 224.460 2.824 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccnn1C1CCCCC1 ZINC000012890337 643781316 /nfs/dbraw/zinc/78/13/16/643781316.db2.gz WXFANLOVBLDDNV-PWSUYJOCSA-N 0 0 247.342 2.983 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)Nc1ccnn1C1CCCCC1 ZINC000012890344 643781658 /nfs/dbraw/zinc/78/16/58/643781658.db2.gz WXFANLOVBLDDNV-JQWIXIFHSA-N 0 0 247.342 2.983 50 0 BFAARN CCOC(=O)/C=C/c1cc(C)ccc1OC ZINC000073928084 644146548 /nfs/dbraw/zinc/14/65/48/644146548.db2.gz HPUXUPRHTNBDSE-SOFGYWHQSA-N 0 0 220.268 2.580 50 0 BFAARN Cc1ccccc1C=Cc1n[nH]c(=S)[nH]1 ZINC000083295969 644404247 /nfs/dbraw/zinc/40/42/47/644404247.db2.gz XTADNOLSCBYCTP-SREVYHEPSA-N 0 0 217.297 2.946 50 0 BFAARN CCCc1cnc(NCC2(COC)CCC2)nc1 ZINC000952974090 644445322 /nfs/dbraw/zinc/44/53/22/644445322.db2.gz PWJXEMVODYKLJU-UHFFFAOYSA-N 0 0 249.358 2.658 50 0 BFAARN C[C@@H](C(=O)N(C)c1ccccc1)n1cccc1 ZINC000952963890 644445612 /nfs/dbraw/zinc/44/56/12/644445612.db2.gz LMFCMXADKLKEOH-LBPRGKRZSA-N 0 0 228.295 2.712 50 0 BFAARN CCC[C@@H](C(=O)Nc1cccnc1)n1cccc1 ZINC000952962985 644447370 /nfs/dbraw/zinc/44/73/70/644447370.db2.gz MWEGPVOWNRTWHC-ZDUSSCGKSA-N 0 0 243.310 2.863 50 0 BFAARN CC(C)Cc1nnc(COCc2ccccc2)[nH]1 ZINC000952976628 644449036 /nfs/dbraw/zinc/44/90/36/644449036.db2.gz SYJDBSTWRHOLHF-UHFFFAOYSA-N 0 0 245.326 2.720 50 0 BFAARN CC(C(=O)NCc1nc(C)c(C)o1)=C1CCCC1 ZINC000952992948 644449653 /nfs/dbraw/zinc/44/96/53/644449653.db2.gz PTCXKQKZXLKFKG-UHFFFAOYSA-N 0 0 248.326 2.798 50 0 BFAARN C[C@@H](CO)SCc1nc(C(C)(C)C)co1 ZINC000724407810 710739017 /nfs/dbraw/zinc/73/90/17/710739017.db2.gz KMUFMMJGRJDCEF-QMMMGPOBSA-N 0 0 229.345 2.586 50 0 BFAARN CCNc1cc2oc(=O)sc2cc1C ZINC000000450174 711471514 /nfs/dbraw/zinc/47/15/14/711471514.db2.gz GANOLEJHBIIUPE-UHFFFAOYSA-N 0 0 209.270 2.595 50 0 BFAARN C=CC(=O)NC1(Cc2cccc(F)c2)CCC1 ZINC000863971285 711795818 /nfs/dbraw/zinc/79/58/18/711795818.db2.gz MYKSNHRHUSSSHJ-UHFFFAOYSA-N 0 0 233.286 2.593 50 0 BFAARN COc1ccc(-c2c(C)[nH]nc2C2CC2)cn1 ZINC000534639226 712087084 /nfs/dbraw/zinc/08/70/84/712087084.db2.gz KUCCIGWNWJHVOQ-UHFFFAOYSA-N 0 0 229.283 2.666 50 0 BFAARN C1=C(Cc2nnc(C3CC3)[nH]2)CCCC1 ZINC000065371245 712389396 /nfs/dbraw/zinc/38/93/96/712389396.db2.gz KNSYXMHWMSPIDU-UHFFFAOYSA-N 0 0 203.289 2.725 50 0 BFAARN Cc1cc(CNCc2csc(C)n2)oc1C ZINC000952862693 974049918 /nfs/dbraw/zinc/04/99/18/974049918.db2.gz PTXXAFAJYBYVGT-UHFFFAOYSA-N 0 0 236.340 2.951 50 0 BFAARN C=CC(=O)NCc1ccc(-c2csc(C)n2)o1 ZINC000585122712 972152957 /nfs/dbraw/zinc/15/29/57/972152957.db2.gz PNPONLJJTDYFRX-UHFFFAOYSA-N 0 0 248.307 2.514 50 0 BFAARN C=CC(=O)N1Cc2sccc2CC1(C)C ZINC000585124429 972155174 /nfs/dbraw/zinc/15/51/74/972155174.db2.gz CRWDLXOIKJZEMA-UHFFFAOYSA-N 0 0 221.325 2.597 50 0 BFAARN O=C(Nc1ccns1)c1ccoc1C1CC1 ZINC000585125727 972156346 /nfs/dbraw/zinc/15/63/46/972156346.db2.gz CZKJAPORINEFEQ-UHFFFAOYSA-N 0 0 234.280 2.866 50 0 BFAARN C/C=C/C(=O)NCCc1ccc(OC(C)C)cc1 ZINC000585145592 972175578 /nfs/dbraw/zinc/17/55/78/972175578.db2.gz MLRODTPZFHWUDA-SNAWJCMRSA-N 0 0 247.338 2.709 50 0 BFAARN Cc1c(Cl)cccc1N[C@H]1CC[C@H]1O ZINC000585298785 973911585 /nfs/dbraw/zinc/91/15/85/973911585.db2.gz HCWNHESFOLHZHO-WDEREUQCSA-N 0 0 211.692 2.584 50 0 BFAARN CC(C)c1ccc(N[C@H]2CC[C@H]2O)cc1 ZINC000585299012 973919482 /nfs/dbraw/zinc/91/94/82/973919482.db2.gz ZHMMKSMECCOPJH-QWHCGFSZSA-N 0 0 205.301 2.745 50 0 BFAARN C[C@H](Oc1cc2c(nn1)CCCC2)C1CC1 ZINC000585652577 973919602 /nfs/dbraw/zinc/91/96/02/973919602.db2.gz PLQHEXXEKWCGSZ-VIFPVBQESA-N 0 0 218.300 2.533 50 0 BFAARN CC(C)c1ccc(N[C@@H]2CC[C@@H]2O)cc1 ZINC000585299011 973920863 /nfs/dbraw/zinc/92/08/63/973920863.db2.gz ZHMMKSMECCOPJH-OLZOCXBDSA-N 0 0 205.301 2.745 50 0 BFAARN c1ccc(OCc2ccc3c(c2)CCO3)nc1 ZINC000585654085 973926167 /nfs/dbraw/zinc/92/61/67/973926167.db2.gz CMHCJLRZTCIDAN-UHFFFAOYSA-N 0 0 227.263 2.596 50 0 BFAARN Clc1cccnc1OC[C@H]1CCCOC1 ZINC000585655016 973926720 /nfs/dbraw/zinc/92/67/20/973926720.db2.gz QRYZCLHEJGGZIN-VIFPVBQESA-N 0 0 227.691 2.540 50 0 BFAARN COc1cccc(C)c1C(=O)N[C@@H]1C=CCCC1 ZINC001506398204 988771686 /nfs/dbraw/zinc/77/16/86/988771686.db2.gz AIDBYYJHVVOVQX-GFCCVEGCSA-N 0 0 245.322 2.842 50 0 BFAARN CC[C@@H]1CN(c2ccc(Cl)c(C)n2)CCO1 ZINC001506400703 988773935 /nfs/dbraw/zinc/77/39/35/988773935.db2.gz KUISUOUNNRZZDD-SNVBAGLBSA-N 0 0 240.734 2.659 50 0 BFAARN COc1cccc(C)c1C(=O)NC1(C)CCC1 ZINC001506418649 988781944 /nfs/dbraw/zinc/78/19/44/988781944.db2.gz URDIYTJTKXQXLJ-UHFFFAOYSA-N 0 0 233.311 2.676 50 0 BFAARN CCCO[C@H]1CCCN(c2ccncc2F)C1 ZINC001506416018 988782071 /nfs/dbraw/zinc/78/20/71/988782071.db2.gz CUBATWUROCBYSS-NSHDSACASA-N 0 0 238.306 2.616 50 0 BFAARN Cc1cnc(C)c(NCCCC[C@@H]2CCCO2)n1 ZINC001506425041 988783530 /nfs/dbraw/zinc/78/35/30/988783530.db2.gz LBCBIEMIVSBEAI-CYBMUJFWSA-N 0 0 249.358 2.855 50 0 BFAARN Cc1cnc(C)c(NCCCC[C@H]2CCCO2)n1 ZINC001506425047 988785904 /nfs/dbraw/zinc/78/59/04/988785904.db2.gz LBCBIEMIVSBEAI-ZDUSSCGKSA-N 0 0 249.358 2.855 50 0 BFAARN CCCc1cnc(C)nc1NC[C@@H]1CCCOC1 ZINC001529105411 990330745 /nfs/dbraw/zinc/33/07/45/990330745.db2.gz ATDZWBZPGJRJBM-LBPRGKRZSA-N 0 0 249.358 2.576 50 0 BFAARN Cc1ccc(C(=O)Nc2nccn2C)cc1Cl ZINC001529198622 990337819 /nfs/dbraw/zinc/33/78/19/990337819.db2.gz GONXMZQBMLVCCP-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN Cc1cc(C)n2c(nnc2-c2ccccc2C)n1 ZINC000000361583 177933107 /nfs/dbraw/zinc/93/31/07/177933107.db2.gz ZXMJGVBQXOZWTK-UHFFFAOYSA-N 0 0 238.294 2.717 50 0 BFAARN C[C@@H](COc1ccccc1)NC(=O)C1CCCC1 ZINC000055731074 136210213 /nfs/dbraw/zinc/21/02/13/136210213.db2.gz POAGSNYFJJHMSL-LBPRGKRZSA-N 0 0 247.338 2.760 50 0 BFAARN Cc1cc(C(=O)Nc2nc(C)cc(C)n2)cs1 ZINC000004750060 177941818 /nfs/dbraw/zinc/94/18/18/177941818.db2.gz BEHINJMYYPQLPG-UHFFFAOYSA-N 0 0 247.323 2.716 50 0 BFAARN Cc1ccccc1OCCCC(=O)N1CCCC1 ZINC000065491572 136210719 /nfs/dbraw/zinc/21/07/19/136210719.db2.gz RAUCESPTZLGDKS-UHFFFAOYSA-N 0 0 247.338 2.776 50 0 BFAARN CCC(CC)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000041194568 168334589 /nfs/dbraw/zinc/33/45/89/168334589.db2.gz YOPFGUNYXPWGOF-STQMWFEESA-N 0 0 239.359 2.593 50 0 BFAARN c1cnn(CCn2ccnc2[C@@H]2CC=CCC2)c1 ZINC000071760448 398159506 /nfs/dbraw/zinc/15/95/06/398159506.db2.gz IJNCLIAIPVEGFH-CYBMUJFWSA-N 0 0 242.326 2.604 50 0 BFAARN Cc1cc(COC(=O)c2ccsc2)nc(C)n1 ZINC000097110980 178047213 /nfs/dbraw/zinc/04/72/13/178047213.db2.gz MXFACFNQBYZFLD-UHFFFAOYSA-N 0 0 248.307 2.512 50 0 BFAARN CCOc1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000072117324 398177769 /nfs/dbraw/zinc/17/77/69/398177769.db2.gz XVDIZCVZGHJZCX-UHFFFAOYSA-N 0 0 235.327 2.748 50 0 BFAARN Cc1cc(C[S@](=O)Cc2ccccc2C)no1 ZINC000071846917 178059172 /nfs/dbraw/zinc/05/91/72/178059172.db2.gz GLWDDSMCROCQQW-KRWDZBQOSA-N 0 0 249.335 2.740 50 0 BFAARN c1coc(-c2nnn(CC3CCCCCC3)n2)c1 ZINC000241775971 398161075 /nfs/dbraw/zinc/16/10/75/398161075.db2.gz RQTXTSIMSIRLQB-UHFFFAOYSA-N 0 0 246.314 2.904 50 0 BFAARN Nc1ccc2nccc(Br)c2c1 ZINC000071789977 398161574 /nfs/dbraw/zinc/16/15/74/398161574.db2.gz IPBLCYPXZCWACR-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Cc1onc(-c2ccccc2)c1[C@H](C)O ZINC000071789947 398161751 /nfs/dbraw/zinc/16/17/51/398161751.db2.gz DAQOOSLMUWKCQM-QMMMGPOBSA-N 0 0 203.241 2.703 50 0 BFAARN Cc1cc(Cl)cc(C(=O)Nc2cnccn2)c1 ZINC000097379862 178063005 /nfs/dbraw/zinc/06/30/05/178063005.db2.gz GJNJONPNVYBREQ-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN CCC(CC)C(=O)NCc1ccc(OC)cc1 ZINC000000453098 168338244 /nfs/dbraw/zinc/33/82/44/168338244.db2.gz UVDONQOCCHHZTJ-UHFFFAOYSA-N 0 0 235.327 2.748 50 0 BFAARN Cc1noc(C)c1C(=O)Nc1ccc(F)cc1C ZINC000001054008 178089842 /nfs/dbraw/zinc/08/98/42/178089842.db2.gz AFBZXOUNLDRDGD-UHFFFAOYSA-N 0 0 248.257 2.991 50 0 BFAARN Cc1cc(F)ccc1OCc1noc(C2CC2)n1 ZINC000162058945 178091156 /nfs/dbraw/zinc/09/11/56/178091156.db2.gz FDNFHRSSPZUSKL-UHFFFAOYSA-N 0 0 248.257 2.974 50 0 BFAARN Cc1cc(N)ccc1OC[C@H]1CCCCO1 ZINC000014630485 178107697 /nfs/dbraw/zinc/10/76/97/178107697.db2.gz ODBCGBIXTCKZAF-GFCCVEGCSA-N 0 0 221.300 2.525 50 0 BFAARN Cc1cc(N)nc(SCc2ccccc2C)n1 ZINC000010350966 178110100 /nfs/dbraw/zinc/11/01/00/178110100.db2.gz IQXKIYWZELBAKM-UHFFFAOYSA-N 0 0 245.351 2.968 50 0 BFAARN Cc1cc(N)nn1Cc1cccc2ccccc21 ZINC000001428568 178110903 /nfs/dbraw/zinc/11/09/03/178110903.db2.gz GMGVPPGREQNZQP-UHFFFAOYSA-N 0 0 237.306 2.975 50 0 BFAARN Cc1cc(N2CCCC2)ncc1Br ZINC000038537811 178113275 /nfs/dbraw/zinc/11/32/75/178113275.db2.gz HSMOVVXVWDKSDQ-UHFFFAOYSA-N 0 0 241.132 2.753 50 0 BFAARN Cc1cc(NC(=O)/C=C/c2ccccc2)on1 ZINC000013596667 178123532 /nfs/dbraw/zinc/12/35/32/178123532.db2.gz MYNRKJZMACJTPK-BQYQJAHWSA-N 0 0 228.251 2.635 50 0 BFAARN Cc1cc(NC(=O)C(C)C)c(C)cc1O ZINC000225530488 178124359 /nfs/dbraw/zinc/12/43/59/178124359.db2.gz BYWAOQWSYQKMER-UHFFFAOYSA-N 0 0 207.273 2.604 50 0 BFAARN Cc1cc(NC(=O)C2CCC2)n(C(C)(C)C)n1 ZINC000047228203 178125773 /nfs/dbraw/zinc/12/57/73/178125773.db2.gz IVOOLCLJCSIRLD-UHFFFAOYSA-N 0 0 235.331 2.685 50 0 BFAARN Cc1cc(NC(=O)N[C@H]2CCCC[C@@H]2C)no1 ZINC000009366090 178142209 /nfs/dbraw/zinc/14/22/09/178142209.db2.gz FRXVSEQDCJXPHV-WPRPVWTQSA-N 0 0 237.303 2.683 50 0 BFAARN Cc1cc(NC(=O)c2cc(F)cc(F)c2)no1 ZINC000008884628 178149842 /nfs/dbraw/zinc/14/98/42/178149842.db2.gz DNVPLMPREZMFBG-UHFFFAOYSA-N 0 0 238.193 2.514 50 0 BFAARN Cc1cc(NC(=O)c2cccc(Cl)c2)n[nH]1 ZINC000005401775 178150312 /nfs/dbraw/zinc/15/03/12/178150312.db2.gz IRFUAGRGWAHBMN-UHFFFAOYSA-N 0 0 235.674 2.624 50 0 BFAARN Cc1cc(NC(=O)c2ccc(C)c(C)c2)no1 ZINC000000031630 178150705 /nfs/dbraw/zinc/15/07/05/178150705.db2.gz NFPIFLXQEXEJRI-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN C[C@H]1COc2cccc(Br)c2OC1 ZINC000074937854 398209852 /nfs/dbraw/zinc/20/98/52/398209852.db2.gz SVQYBLHUCPEMDG-ZETCQYMHSA-N 0 0 243.100 2.856 50 0 BFAARN Cc1cc(NC2CCCCCC2)n2ncnc2n1 ZINC000001368949 178154270 /nfs/dbraw/zinc/15/42/70/178154270.db2.gz WWKBIGWKFDOAMY-UHFFFAOYSA-N 0 0 245.330 2.567 50 0 BFAARN COC(=O)c1ccc(-c2ccc(N)cc2)cc1F ZINC000074938308 398210234 /nfs/dbraw/zinc/21/02/34/398210234.db2.gz XQXNCOKBZNIVJA-UHFFFAOYSA-N 0 0 245.253 2.862 50 0 BFAARN Cc1cc(NC2CCCCC2)nc(C)n1 ZINC000024985395 178155320 /nfs/dbraw/zinc/15/53/20/178155320.db2.gz JPTTUVMOYBRFJP-UHFFFAOYSA-N 0 0 205.305 2.838 50 0 BFAARN Cc1cc(Nc2ccc3c(c2)CCO3)nc(C)n1 ZINC000032779315 178192562 /nfs/dbraw/zinc/19/25/62/178192562.db2.gz SVKVHDGOBXQYOB-UHFFFAOYSA-N 0 0 241.294 2.772 50 0 BFAARN Cc1cc(S[C@@H](C)C(C)C)n2ncnc2n1 ZINC000078588818 178218316 /nfs/dbraw/zinc/21/83/16/178218316.db2.gz AFGQFBSTHPXYRP-VIFPVBQESA-N 0 0 236.344 2.569 50 0 BFAARN C[C@H]1CCCCN(Cc2ccccc2)C1=O ZINC000196230763 398235351 /nfs/dbraw/zinc/23/53/51/398235351.db2.gz AWORBBROWYQGKR-LBPRGKRZSA-N 0 0 217.312 2.835 50 0 BFAARN Cc1cc([C@@H]2CCCN2C(=O)C2CCCC2)on1 ZINC000047265290 178240338 /nfs/dbraw/zinc/24/03/38/178240338.db2.gz HHNHTMVUYUBMSC-LBPRGKRZSA-N 0 0 248.326 2.837 50 0 BFAARN Cc1cc([C@H](C)NC(=O)NC2CC2)c(C)s1 ZINC000046063052 178245307 /nfs/dbraw/zinc/24/53/07/178245307.db2.gz OTIXOJBYRFAGBJ-QMMMGPOBSA-N 0 0 238.356 2.888 50 0 BFAARN Cc1cc([C@H](C)NC(=O)C2CC2)c(C)s1 ZINC000036393792 178245322 /nfs/dbraw/zinc/24/53/22/178245322.db2.gz WYGURUUZGKJLNH-QMMMGPOBSA-N 0 0 223.341 2.952 50 0 BFAARN CCc1nc(CNc2nc(C)cnc2C)cs1 ZINC000170604199 361791825 /nfs/dbraw/zinc/79/18/25/361791825.db2.gz PXVWBHVBSQWMNW-UHFFFAOYSA-N 0 0 248.355 2.724 50 0 BFAARN C=COCCOC(=O)c1ccnc2ccccc21 ZINC000097113119 398237218 /nfs/dbraw/zinc/23/72/18/398237218.db2.gz IXQSDYTUJHNMQJ-UHFFFAOYSA-N 0 0 243.262 2.552 50 0 BFAARN Cc1c(N[C@H]2CCSC2)cccc1N(C)C ZINC000097108503 398238029 /nfs/dbraw/zinc/23/80/29/398238029.db2.gz DCJOHJBKCXYXNY-NSHDSACASA-N 0 0 236.384 2.978 50 0 BFAARN Cc1cc2c([nH]c(CCC3CC3)nc2=O)s1 ZINC000097144262 178277265 /nfs/dbraw/zinc/27/72/65/178277265.db2.gz JWNNFWFQBZBJAJ-UHFFFAOYSA-N 0 0 234.324 2.636 50 0 BFAARN Cc1cc2ccccn2c1C(=O)c1ccncc1 ZINC000003193702 178298281 /nfs/dbraw/zinc/29/82/81/178298281.db2.gz HMXWEKRGUTUENY-UHFFFAOYSA-N 0 0 236.274 2.874 50 0 BFAARN Cc1cc2ncoc2cc1Br ZINC000062525705 178305124 /nfs/dbraw/zinc/30/51/24/178305124.db2.gz UIHWTTPDAGIGAU-UHFFFAOYSA-N 0 0 212.046 2.899 50 0 BFAARN Cc1cc2c(cnn2C)cc1Br ZINC000036533436 178292653 /nfs/dbraw/zinc/29/26/53/178292653.db2.gz GDVORDVVHXRNAP-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Cc1cc2cc(CO)c(Cl)nc2cc1C ZINC000000421639 178293950 /nfs/dbraw/zinc/29/39/50/178293950.db2.gz FVHRDDVYXFKXKE-UHFFFAOYSA-N 0 0 221.687 2.997 50 0 BFAARN Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000002570854 178326257 /nfs/dbraw/zinc/32/62/57/178326257.db2.gz VWOJMXKARYCRCC-UHFFFAOYSA-N 0 0 236.278 2.842 50 0 in-vitro BFAARN Cc1cc2oc(=O)c3c(c2cc1O)CCCC3 ZINC000001050210 178306559 /nfs/dbraw/zinc/30/65/59/178306559.db2.gz OPMITZHHYGCBNU-UHFFFAOYSA-N 0 0 230.263 2.686 50 0 BFAARN Cc1cc2sc(N)nc2cc1Br ZINC000020133663 178309457 /nfs/dbraw/zinc/30/94/57/178309457.db2.gz LHFKOJQPISWLAY-UHFFFAOYSA-N 0 0 243.129 2.949 50 0 BFAARN CC(C)(C)OC(=O)N1CCCC12CCC2 ZINC000077010432 398251552 /nfs/dbraw/zinc/25/15/52/398251552.db2.gz FFHCAKPTFKJGPF-UHFFFAOYSA-N 0 0 211.305 2.940 50 0 BFAARN Cc1sc(=NN)[nH]c1-c1ccc(C)cc1 ZINC000004293987 178335482 /nfs/dbraw/zinc/33/54/82/178335482.db2.gz JIYGWQXRHRWRCB-UHFFFAOYSA-N 0 0 219.313 2.713 50 0 BFAARN Cc1ccc(-c2nc3c[nH]n(C)c-3n2)c(C)c1F ZINC000019147760 178336827 /nfs/dbraw/zinc/33/68/27/178336827.db2.gz MTVVUXIDYWXPJF-UHFFFAOYSA-N 0 0 244.273 2.719 50 0 BFAARN Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000008714038 178337728 /nfs/dbraw/zinc/33/77/28/178337728.db2.gz UTEHUKGJDLVHIH-UHFFFAOYSA-N 0 0 236.274 2.899 50 0 in-vitro BFAARN Cc1ccc(-c2nc3cccnc3[nH]2)cc1 ZINC000004094666 178337926 /nfs/dbraw/zinc/33/79/26/178337926.db2.gz GFNPNGODFARHMH-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN Cc1ccc(-c2nc3sccn3c2CO)cc1 ZINC000000168831 178338652 /nfs/dbraw/zinc/33/86/52/178338652.db2.gz WYWLCPJDSLGCMM-UHFFFAOYSA-N 0 0 244.319 2.864 50 0 BFAARN Cc1onc(-c2ccc(C)cc2)c1C=O ZINC000136871119 178342438 /nfs/dbraw/zinc/34/24/38/178342438.db2.gz UBNLELGNPNUQOG-UHFFFAOYSA-N 0 0 201.225 2.771 50 0 BFAARN C=C1c2ccccc2NC(=O)N1C[C@H]1CCCO1 ZINC000025060741 538946953 /nfs/dbraw/zinc/94/69/53/538946953.db2.gz WRUZACDDHTYXFD-LLVKDONJSA-N 0 0 244.294 2.684 50 0 BFAARN Cc1csc(=N)n1-c1ccc(C)cc1 ZINC000005334133 178346593 /nfs/dbraw/zinc/34/65/93/178346593.db2.gz RVLAGHGPJIPZKL-UHFFFAOYSA-N 0 0 204.298 2.635 50 0 BFAARN Cc1ccc(-n2nc3ccc(N)cc3n2)c(C)c1 ZINC000000309649 178348233 /nfs/dbraw/zinc/34/82/33/178348233.db2.gz BEGABUJCGKABMR-UHFFFAOYSA-N 0 0 238.294 2.620 50 0 BFAARN Cc1ccc(-c2nc(-c3cnccn3)no2)s1 ZINC000084508909 178331985 /nfs/dbraw/zinc/33/19/85/178331985.db2.gz HJOOMTSBCLEHLD-UHFFFAOYSA-N 0 0 244.279 2.564 50 0 BFAARN Cc1ccc(/C=C\C(=O)N[C@@H](C)C(C)(C)C)cn1 ZINC000222187806 178357683 /nfs/dbraw/zinc/35/76/83/178357683.db2.gz ANVXMRKOYXXDQC-LAUAKBEESA-N 0 0 246.354 2.954 50 0 BFAARN Cc1ccc(/C=C/C(=O)NC(C)C)cc1 ZINC000000226928 178353523 /nfs/dbraw/zinc/35/35/23/178353523.db2.gz XKKCUADTHQRLIX-CMDGGOBGSA-N 0 0 203.285 2.533 50 0 BFAARN C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccccc1F ZINC000032983398 538951111 /nfs/dbraw/zinc/95/11/11/538951111.db2.gz XNYJBCQPDXPRNK-WCABBAIRSA-N 0 0 221.275 2.659 50 0 BFAARN Cc1ccc(C(=O)N2CCCCCC2)o1 ZINC000000475784 178385655 /nfs/dbraw/zinc/38/56/55/178385655.db2.gz VAFJSYDGIZQRPA-UHFFFAOYSA-N 0 0 207.273 2.604 50 0 BFAARN Cc1ccc(C(=O)N2CCCC2)cc1Cl ZINC000000858939 178385862 /nfs/dbraw/zinc/38/58/62/178385862.db2.gz HFFZQMZTQAVWHS-UHFFFAOYSA-N 0 0 223.703 2.884 50 0 BFAARN Cc1ccc(C(=O)COC(=O)C2CCC2)cc1C ZINC000003303357 178373822 /nfs/dbraw/zinc/37/38/22/178373822.db2.gz KAAGPDYJBLIQGX-UHFFFAOYSA-N 0 0 246.306 2.829 50 0 BFAARN Cc1cccc(OCC(C)(F)F)c1N ZINC000606304475 398268873 /nfs/dbraw/zinc/26/88/73/398268873.db2.gz CNZVTEYIIMYZFR-UHFFFAOYSA-N 0 0 201.216 2.611 50 0 BFAARN Fc1ccc(C2=CSC3=NCCN23)cc1 ZINC000000078622 342672963 /nfs/dbraw/zinc/67/29/63/342672963.db2.gz HPOWALXKCNUALK-UHFFFAOYSA-N 0 0 220.272 2.543 50 0 BFAARN CC(=O)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000000076351 342673149 /nfs/dbraw/zinc/67/31/49/342673149.db2.gz BQFGAUJKJWWUEA-UHFFFAOYSA-N 0 0 236.658 2.522 50 0 BFAARN CCN(CC)C(=O)COc1ccccc1Cl ZINC000000486851 342688932 /nfs/dbraw/zinc/68/89/32/342688932.db2.gz LUTPLYUFQSLEJD-UHFFFAOYSA-N 0 0 241.718 2.587 50 0 BFAARN O=S(=O)(c1ccsc1)c1ccccc1 ZINC000000115889 342674955 /nfs/dbraw/zinc/67/49/55/342674955.db2.gz LGGLKPFTYFIQSY-UHFFFAOYSA-N 0 0 224.306 2.581 50 0 BFAARN O=C(CCCc1c[nH]c2ccccc12)NC1CC1 ZINC000000140690 342676800 /nfs/dbraw/zinc/67/68/00/342676800.db2.gz NSGVLJNJAYXDID-UHFFFAOYSA-N 0 0 242.322 2.769 50 0 BFAARN Cc1ccsc1CNC(=O)c1ccccc1 ZINC000000147846 342677029 /nfs/dbraw/zinc/67/70/29/342677029.db2.gz WNIZEKJOPGQRGN-UHFFFAOYSA-N 0 0 231.320 2.987 50 0 BFAARN O=C(c1ccncc1)c1ccc(Cl)cc1 ZINC000000155993 342677582 /nfs/dbraw/zinc/67/75/82/342677582.db2.gz YMTFKKLFLLAFNI-UHFFFAOYSA-N 0 0 217.655 2.966 50 0 BFAARN O=C1CCCN1c1ccc(Br)cc1 ZINC000000155729 342677715 /nfs/dbraw/zinc/67/77/15/342677715.db2.gz YINFEFUSAQRZGG-UHFFFAOYSA-N 0 0 240.100 2.576 50 0 BFAARN CC1(C)C[C@@H](C(=O)Nc2ccccc2)CCO1 ZINC000000522195 342689066 /nfs/dbraw/zinc/68/90/66/342689066.db2.gz UZWCQCTWOKZZCM-NSHDSACASA-N 0 0 233.311 2.830 50 0 BFAARN NNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000166058 342678631 /nfs/dbraw/zinc/67/86/31/342678631.db2.gz FAZMLWKEIQLIJM-UHFFFAOYSA-N 0 0 210.586 2.644 50 0 BFAARN CCOc1ccc(Cc2nnc(NC)s2)cc1 ZINC000000169069 342678959 /nfs/dbraw/zinc/67/89/59/342678959.db2.gz NHXJFWDJOUOINP-UHFFFAOYSA-N 0 0 249.339 2.569 50 0 BFAARN Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000000176915 342679181 /nfs/dbraw/zinc/67/91/81/342679181.db2.gz YGVQXBVZASITCA-UHFFFAOYSA-N 0 0 227.223 2.579 50 0 BFAARN Cc1sc2nc(C(C)C)oc(=O)c2c1C ZINC000000186157 342679373 /nfs/dbraw/zinc/67/93/73/342679373.db2.gz AKXXQSXMCNNFMM-UHFFFAOYSA-N 0 0 223.297 2.990 50 0 BFAARN O=C([C@H]1C[C@H]1c1ccccc1)N1CCCCC1 ZINC000000185988 342679533 /nfs/dbraw/zinc/67/95/33/342679533.db2.gz BYCDPTRUPKGZOX-KBPBESRZSA-N 0 0 229.323 2.803 50 0 BFAARN Cc1ccc(NC(=O)c2ccccc2)c(N)c1 ZINC000000225962 342680704 /nfs/dbraw/zinc/68/07/04/342680704.db2.gz UAPLIDKCIZPXGL-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN O=C(c1ccccc1)[C@H](O)c1ccccc1 ZINC000000236100 342680886 /nfs/dbraw/zinc/68/08/86/342680886.db2.gz ISAOCJYIOMOJEB-CYBMUJFWSA-N 0 0 212.248 2.603 50 0 endogenous,in-man BFAARN Nc1ccc2oc(-c3cccc(N)c3)nc2c1 ZINC000000235493 342680898 /nfs/dbraw/zinc/68/08/98/342680898.db2.gz IKSUMZCUHPMCQV-UHFFFAOYSA-N 0 0 225.251 2.659 50 0 in-vitro BFAARN CCCn1c(C)nc2c1c1ccccc1oc2=O ZINC000000258898 342681296 /nfs/dbraw/zinc/68/12/96/342681296.db2.gz ROFDAXZALXSTJZ-UHFFFAOYSA-N 0 0 242.278 2.861 50 0 BFAARN Nc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000000283719 342682177 /nfs/dbraw/zinc/68/21/77/342682177.db2.gz JHRKKHFDXTWUJO-UHFFFAOYSA-N 0 0 215.227 2.639 50 0 BFAARN CCCC(C)(C)NC(=O)c1ccccc1 ZINC000000286563 342682266 /nfs/dbraw/zinc/68/22/66/342682266.db2.gz DNSDWTWFJFFEKR-UHFFFAOYSA-N 0 0 205.301 2.995 50 0 BFAARN Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000000298379 342682638 /nfs/dbraw/zinc/68/26/38/342682638.db2.gz TWPTUTQCRHZBBC-UHFFFAOYSA-N 0 0 224.716 2.970 50 0 BFAARN Cc1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000000303979 342682831 /nfs/dbraw/zinc/68/28/31/342682831.db2.gz AKFVSHBZGPWGPX-UHFFFAOYSA-N 0 0 205.301 2.657 50 0 BFAARN CCOc1cc(OCC)nc(-c2ccccc2)n1 ZINC000000331451 342683593 /nfs/dbraw/zinc/68/35/93/342683593.db2.gz WGVMROQOKPEOAP-UHFFFAOYSA-N 0 0 244.294 2.941 50 0 BFAARN COC(=O)N=c1[nH]c2ccc(C)cc2s1 ZINC000000336410 342683831 /nfs/dbraw/zinc/68/38/31/342683831.db2.gz LXWKFOJGSXRJTB-UHFFFAOYSA-N 0 0 222.269 2.783 50 0 BFAARN CCOc1nc(C)nc2ccc(Cl)cc21 ZINC000000346118 342684437 /nfs/dbraw/zinc/68/44/37/342684437.db2.gz VDHIRYBHOMBPDE-UHFFFAOYSA-N 0 0 222.675 2.990 50 0 BFAARN Cc1cc(C)n(C(=O)Oc2ccccc2)n1 ZINC000000344685 342684452 /nfs/dbraw/zinc/68/44/52/342684452.db2.gz CSGMQNGUGKPWII-UHFFFAOYSA-N 0 0 216.240 2.547 50 0 BFAARN CCCc1nnc(-c2ccc(OC)cc2)o1 ZINC000000359172 342684833 /nfs/dbraw/zinc/68/48/33/342684833.db2.gz WQJCSFKEASSMDW-UHFFFAOYSA-N 0 0 218.256 2.698 50 0 BFAARN CCN(CC)C(=O)CSc1ccccc1 ZINC000000379869 342685392 /nfs/dbraw/zinc/68/53/92/342685392.db2.gz IUKLUPXCEUXOIW-UHFFFAOYSA-N 0 0 223.341 2.647 50 0 BFAARN Fc1ccc(Br)c(F)c1F ZINC000000389519 342685855 /nfs/dbraw/zinc/68/58/55/342685855.db2.gz MUUAQFJJUGVBGB-UHFFFAOYSA-N 0 0 210.980 2.866 50 0 BFAARN CC[C@@H](Oc1ccccc1)c1nnc(N)s1 ZINC000000533308 342689414 /nfs/dbraw/zinc/68/94/14/342689414.db2.gz HVKZMILXXWWZLZ-SECBINFHSA-N 0 0 235.312 2.650 50 0 BFAARN Fc1cc(F)c(Br)c(F)c1 ZINC000000407106 342686943 /nfs/dbraw/zinc/68/69/43/342686943.db2.gz PZBSPSOGEVCRQI-UHFFFAOYSA-N 0 0 210.980 2.866 50 0 BFAARN Cc1ccc(CSCC(=O)NC2CC2)cc1 ZINC000000453654 342687775 /nfs/dbraw/zinc/68/77/75/342687775.db2.gz UJIDTZDKEFCVJY-UHFFFAOYSA-N 0 0 235.352 2.507 50 0 BFAARN O=C(Oc1ccc(Cl)cc1)c1ccccn1 ZINC000000450566 342687872 /nfs/dbraw/zinc/68/78/72/342687872.db2.gz CPYVYZDMUCPNHX-UHFFFAOYSA-N 0 0 233.654 2.954 50 0 BFAARN CCOc1ccccc1C(=O)NCCC(C)C ZINC000000477599 342688509 /nfs/dbraw/zinc/68/85/09/342688509.db2.gz UNYRYJDVRXPJQX-UHFFFAOYSA-N 0 0 235.327 2.861 50 0 BFAARN Cc1ccc(SCCC(=O)NC2CC2)cc1 ZINC000000479709 342688531 /nfs/dbraw/zinc/68/85/31/342688531.db2.gz YRDAIBPPBOQVMB-UHFFFAOYSA-N 0 0 235.352 2.756 50 0 BFAARN CCN(Cc1ccncc1)C(=O)c1cccs1 ZINC000000029372 342669942 /nfs/dbraw/zinc/66/99/42/342669942.db2.gz ZVEUBXMUKNICPA-UHFFFAOYSA-N 0 0 246.335 2.805 50 0 BFAARN O=C(c1ccc(Cl)cc1)N1CCCCC1 ZINC000000037541 342670687 /nfs/dbraw/zinc/67/06/87/342670687.db2.gz GFOLEAQQESSXFL-UHFFFAOYSA-N 0 0 223.703 2.966 50 0 BFAARN Cc1ccc(C2=CSC3=NCCN23)cc1 ZINC000000051557 342671514 /nfs/dbraw/zinc/67/15/14/342671514.db2.gz ZSLGTNCOVGLOAD-UHFFFAOYSA-N 0 0 216.309 2.712 50 0 BFAARN Cc1c2ccc(O)cc2oc(=O)c1C(C)C ZINC000000489460 342688917 /nfs/dbraw/zinc/68/89/17/342688917.db2.gz IZOCZZMTQMWKLQ-UHFFFAOYSA-N 0 0 218.252 2.930 50 0 biogenic BFAARN Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000000072649 342672715 /nfs/dbraw/zinc/67/27/15/342672715.db2.gz FPCHINCJTRAFAK-UHFFFAOYSA-N 0 0 209.252 2.584 50 0 BFAARN COc1c(Br)cc(Cl)cc1C=O ZINC000000615564 342691060 /nfs/dbraw/zinc/69/10/60/342691060.db2.gz WMHPXUMZJOUCSK-UHFFFAOYSA-N 0 0 249.491 2.924 50 0 BFAARN CCN(CC)C(=O)c1cc(-c2ccccc2)on1 ZINC000000815047 342693303 /nfs/dbraw/zinc/69/33/03/342693303.db2.gz JYOZDJZEKOAZQX-UHFFFAOYSA-N 0 0 244.294 2.824 50 0 BFAARN CCCc1cc(C(=O)NC2CC2)cs1 ZINC000001052129 342696263 /nfs/dbraw/zinc/69/62/63/342696263.db2.gz KYSOHYBTFLPVAL-UHFFFAOYSA-N 0 0 209.314 2.593 50 0 BFAARN Cc1cnn(C(=O)c2ccc(Cl)s2)c1 ZINC000001053409 342696617 /nfs/dbraw/zinc/69/66/17/342696617.db2.gz JSXGDWRFTDAAEW-UHFFFAOYSA-N 0 0 226.688 2.595 50 0 BFAARN CSc1nnnn1-c1cccc2ccccc21 ZINC000001071926 342696738 /nfs/dbraw/zinc/69/67/38/342696738.db2.gz MRKVQUIXKVOTNM-UHFFFAOYSA-N 0 0 242.307 2.537 50 0 BFAARN O=C1COc2ccccc2CN1c1ccccc1 ZINC000001075368 342696888 /nfs/dbraw/zinc/69/68/88/342696888.db2.gz ONWSDCYMYYUSBX-UHFFFAOYSA-N 0 0 239.274 2.612 50 0 BFAARN CCCC(=O)Nc1nc2ccc(N)cc2s1 ZINC000001067805 342696912 /nfs/dbraw/zinc/69/69/12/342696912.db2.gz PVUFOVSUKKNTNG-UHFFFAOYSA-N 0 0 235.312 2.617 50 0 BFAARN NNc1cc(Cl)c(Cl)cc1Cl ZINC000001234997 342698151 /nfs/dbraw/zinc/69/81/51/342698151.db2.gz QFJZMVJDDBTJHB-UHFFFAOYSA-N 0 0 211.479 2.932 50 0 BFAARN Cc1cc(Br)cc2nc[nH]c21 ZINC000001438950 342701096 /nfs/dbraw/zinc/70/10/96/342701096.db2.gz WPTOSLNWOXGYRI-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN COc1ccc2c(c1)[C@@H]1CN=C3CCCC[C@]31O2 ZINC000096027960 342702549 /nfs/dbraw/zinc/70/25/49/342702549.db2.gz DRKPIHKTIRPCSV-SWLSCSKDSA-N 0 0 243.306 2.939 50 0 BFAARN Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000001558058 342702922 /nfs/dbraw/zinc/70/29/22/342702922.db2.gz VLLWDLLXBFXGGE-UHFFFAOYSA-N 0 0 242.303 2.731 50 0 BFAARN O=C1CCCc2[nH]c3ccc(F)cc3c21 ZINC000001580337 342703979 /nfs/dbraw/zinc/70/39/79/342703979.db2.gz LWGNURGTUVSLGV-UHFFFAOYSA-N 0 0 203.216 2.826 50 0 BFAARN O=C(CO)c1ccc(-c2ccccc2)cc1 ZINC000001594295 342704830 /nfs/dbraw/zinc/70/48/30/342704830.db2.gz DZBOGXUSEQLVPU-UHFFFAOYSA-N 0 0 212.248 2.529 50 0 BFAARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2)s1 ZINC000001716254 342710952 /nfs/dbraw/zinc/71/09/52/342710952.db2.gz SMZMLCNTHXBCBB-GFCCVEGCSA-N 0 0 244.319 2.911 50 0 BFAARN Clc1cccc(NC2=NCCS2)c1 ZINC000001719667 342711252 /nfs/dbraw/zinc/71/12/52/342711252.db2.gz GBQKVBOQHMFWHS-UHFFFAOYSA-N 0 0 212.705 2.855 50 0 BFAARN CCCCCc1nc(CCc2cccnc2)n[nH]1 ZINC000584902718 342714068 /nfs/dbraw/zinc/71/40/68/342714068.db2.gz UWPBBCXEZCEUBJ-UHFFFAOYSA-N 0 0 244.342 2.718 50 0 BFAARN CCCCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000002057696 342715509 /nfs/dbraw/zinc/71/55/09/342715509.db2.gz HIRPPTLJDACDSQ-UHFFFAOYSA-N 0 0 235.283 2.602 50 0 BFAARN CC(C)(O)c1ccc(C(F)(F)F)cc1 ZINC000002141602 342715923 /nfs/dbraw/zinc/71/59/23/342715923.db2.gz MKBAAKBUZIREBE-UHFFFAOYSA-N 0 0 204.191 2.933 50 0 BFAARN CC(=O)Nc1cc(C(C)=O)ccc1Cl ZINC000002165379 342716554 /nfs/dbraw/zinc/71/65/54/342716554.db2.gz BRLMCOZDQJLNHG-UHFFFAOYSA-N 0 0 211.648 2.501 50 0 BFAARN CCOc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000004008598 342740760 /nfs/dbraw/zinc/74/07/60/342740760.db2.gz PIPDXDFQILLUJZ-UHFFFAOYSA-N 0 0 244.290 2.989 50 0 BFAARN CCCCCC[C@@H](C(=O)OC)c1ccno1 ZINC000004038343 342741465 /nfs/dbraw/zinc/74/14/65/342741465.db2.gz JAMJBCJOAAUFPR-SNVBAGLBSA-N 0 0 225.288 2.902 50 0 BFAARN BrC1=C2C=CC=CN2CC=C1 ZINC000004086497 342741988 /nfs/dbraw/zinc/74/19/88/342741988.db2.gz FVSPIAJAKMHQBW-UHFFFAOYSA-N 0 0 210.074 2.548 50 0 BFAARN Clc1ccc(Cl)c(OC[C@H]2CO2)c1 ZINC000004200169 342743595 /nfs/dbraw/zinc/74/35/95/342743595.db2.gz BKYYOPSMOZNITO-SSDOTTSWSA-N 0 0 219.067 2.771 50 0 BFAARN Cc1nc(COc2ccc(C=O)cc2)cs1 ZINC000004207353 342744356 /nfs/dbraw/zinc/74/43/56/342744356.db2.gz LHPYGOIPPJVZPX-UHFFFAOYSA-N 0 0 233.292 2.843 50 0 BFAARN CC(C)c1ccccc1OCc1nnc(N)s1 ZINC000004227416 342744819 /nfs/dbraw/zinc/74/48/19/342744819.db2.gz SOCWLPPARVIIMQ-UHFFFAOYSA-N 0 0 249.339 2.823 50 0 BFAARN CCc1ccc(-c2cn3cccnc3n2)cc1 ZINC000004235093 342744930 /nfs/dbraw/zinc/74/49/30/342744930.db2.gz QAQMBYASUUSKAN-UHFFFAOYSA-N 0 0 223.279 2.959 50 0 BFAARN CCSc1ccccc1-c1nnc(N)s1 ZINC000004234710 342744946 /nfs/dbraw/zinc/74/49/46/342744946.db2.gz UGKHHSGIBXXKLI-UHFFFAOYSA-N 0 0 237.353 2.899 50 0 BFAARN CC(C)(C)OC(=O)NCc1ccc(C=O)cc1 ZINC000004287775 342746048 /nfs/dbraw/zinc/74/60/48/342746048.db2.gz HRJJBEIFHFVBRT-UHFFFAOYSA-N 0 0 235.283 2.524 50 0 BFAARN Nc1nccc(/C=C/c2ccc(Cl)cc2)n1 ZINC000004323311 342746695 /nfs/dbraw/zinc/74/66/95/342746695.db2.gz SLOHOIHDYJQRHM-ZZXKWVIFSA-N 0 0 231.686 2.883 50 0 BFAARN FC(F)OC(Cl)(Cl)C(F)(F)F ZINC000004329296 342746706 /nfs/dbraw/zinc/74/67/06/342746706.db2.gz BBYDKNMVRSODJU-UHFFFAOYSA-N 0 0 218.936 2.919 50 0 BFAARN Cc1nonc1OCC12CC3CC(CC(C3)C1)C2 ZINC000004361562 342747106 /nfs/dbraw/zinc/74/71/06/342747106.db2.gz PSUMINFHDRKMFJ-UHFFFAOYSA-N 0 0 248.326 2.973 50 0 BFAARN Nc1cccc(-c2cn3ccsc3n2)c1 ZINC000002458673 342720992 /nfs/dbraw/zinc/72/09/92/342720992.db2.gz ASXLSRKDSOSGQE-UHFFFAOYSA-N 0 0 215.281 2.645 50 0 BFAARN Clc1nccc(Cc2ccccc2)n1 ZINC000002523033 342722534 /nfs/dbraw/zinc/72/25/34/342722534.db2.gz RWGQDQJALINEME-UHFFFAOYSA-N 0 0 204.660 2.721 50 0 BFAARN Cc1cc(C)cc(I)c1 ZINC000002528198 342722715 /nfs/dbraw/zinc/72/27/15/342722715.db2.gz ZLMKEENUYIUKKC-UHFFFAOYSA-N 0 0 232.064 2.908 50 0 BFAARN NNc1c(Cl)cc(C(F)(F)F)c(F)c1F ZINC000002540178 342723601 /nfs/dbraw/zinc/72/36/01/342723601.db2.gz CMWKKODQRWOJDL-UHFFFAOYSA-N 0 0 246.566 2.923 50 0 BFAARN CCc1cc2c(cc1O)oc(=O)c1c2CCCC1 ZINC000002551159 342723825 /nfs/dbraw/zinc/72/38/25/342723825.db2.gz ULRCJDZFIIRZIM-UHFFFAOYSA-N 0 0 244.290 2.940 50 0 BFAARN CCCN1C(=S)N=NC1c1cccs1 ZINC000002569168 342724813 /nfs/dbraw/zinc/72/48/13/342724813.db2.gz KHQDANCRFUXMJI-UHFFFAOYSA-N 0 0 225.342 2.705 50 0 BFAARN COc1c(F)cc(Br)cc1F ZINC000002574964 342725278 /nfs/dbraw/zinc/72/52/78/342725278.db2.gz CDOQKISJPOWBKC-UHFFFAOYSA-N 0 0 223.016 2.736 50 0 BFAARN Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000002582664 342725731 /nfs/dbraw/zinc/72/57/31/342725731.db2.gz PYWJLXKHBXFBDN-UHFFFAOYSA-N 0 0 212.224 2.671 50 0 BFAARN Cc1ccc(NC(=O)OC(C)(C)C)cc1N ZINC000002599345 342726021 /nfs/dbraw/zinc/72/60/21/342726021.db2.gz HOVDUPXBRBXFBP-UHFFFAOYSA-N 0 0 222.288 2.924 50 0 BFAARN COC(=O)c1cc(OCc2ccccc2)ns1 ZINC000034607122 342726202 /nfs/dbraw/zinc/72/62/02/342726202.db2.gz RBHDFBWBQHTBCR-UHFFFAOYSA-N 0 0 249.291 2.509 50 0 BFAARN Cc1cc(C(=O)NCCC2=CCCCC2)no1 ZINC000002872509 342727472 /nfs/dbraw/zinc/72/74/72/342727472.db2.gz AAXJCMUPNOBCPU-UHFFFAOYSA-N 0 0 234.299 2.603 50 0 BFAARN CCSCC(=O)Nc1cccc(C)c1 ZINC000002866592 342727540 /nfs/dbraw/zinc/72/75/40/342727540.db2.gz KVNZWUPPAYYIER-UHFFFAOYSA-N 0 0 209.314 2.687 50 0 BFAARN Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C[C@H]2C ZINC000002848374 342727593 /nfs/dbraw/zinc/72/75/93/342727593.db2.gz WDCRHFDWGSWJCT-SECBINFHSA-N 0 0 243.306 2.810 50 0 BFAARN Cc1ccc(NC(=O)C(F)(F)F)c(C)c1 ZINC000003100067 342730402 /nfs/dbraw/zinc/73/04/02/342730402.db2.gz MFSPRVXZMOZECF-UHFFFAOYSA-N 0 0 217.190 2.804 50 0 BFAARN O=C1/C(=C\c2ccccc2)N=C2CCCCCN12 ZINC000003198464 342731599 /nfs/dbraw/zinc/73/15/99/342731599.db2.gz WCOFYCYVMITNMB-ACCUITESSA-N 0 0 240.306 2.842 50 0 BFAARN Cc1ccsc1[C@@H]1Nc2ccccc2C(=O)N1 ZINC000003251300 342731990 /nfs/dbraw/zinc/73/19/90/342731990.db2.gz IJMUONPEFZBARK-GFCCVEGCSA-N 0 0 244.319 2.911 50 0 BFAARN CCOc1ccc(NC2=N[C@H](C)CS2)cc1 ZINC000003308363 342732383 /nfs/dbraw/zinc/73/23/83/342732383.db2.gz MXGRIMRRGLUNLL-SECBINFHSA-N 0 0 236.340 2.989 50 0 BFAARN Cc1cc(C=O)c(C)n1-c1ccnn1C(C)C ZINC000003354133 342732701 /nfs/dbraw/zinc/73/27/01/342732701.db2.gz UJAMKJGMBBLMMJ-UHFFFAOYSA-N 0 0 231.299 2.684 50 0 BFAARN CCC(CC)NC(=O)c1ccc(OC)cc1 ZINC000000030953 168385594 /nfs/dbraw/zinc/38/55/94/168385594.db2.gz LAMRWFGCKRUQEF-UHFFFAOYSA-N 0 0 221.300 2.614 50 0 biogenic BFAARN Cc1csc(NC(=O)C2CCCC2)n1 ZINC000003562018 342734418 /nfs/dbraw/zinc/73/44/18/342734418.db2.gz CQQOAZQAGVSFLZ-UHFFFAOYSA-N 0 0 210.302 2.580 50 0 BFAARN Cc1cccc(-c2csc(C=O)n2)c1 ZINC000003676469 342736407 /nfs/dbraw/zinc/73/64/07/342736407.db2.gz NMHRHBKFHFEHPB-UHFFFAOYSA-N 0 0 203.266 2.931 50 0 BFAARN Cc1ccc(NC(=O)Cc2ccccc2)c(O)c1 ZINC000004666454 342750007 /nfs/dbraw/zinc/75/00/07/342750007.db2.gz QNYXUFBZVOHAPM-UHFFFAOYSA-N 0 0 241.290 2.882 50 0 BFAARN CCC(CC)NC(=O)[C@H](C)Oc1ccccc1 ZINC000004675339 168385132 /nfs/dbraw/zinc/38/51/32/168385132.db2.gz CZWNJQMOHJBILR-NSHDSACASA-N 0 0 235.327 2.759 50 0 BFAARN CCN(C(=O)c1ccc(N)cc1)c1ccccc1 ZINC000004820772 342752563 /nfs/dbraw/zinc/75/25/63/342752563.db2.gz CQVXDHAQPYPAEU-UHFFFAOYSA-N 0 0 240.306 2.936 50 0 BFAARN Cc1ccc(NC(=O)c2ccncc2)cc1F ZINC000004810966 342752734 /nfs/dbraw/zinc/75/27/34/342752734.db2.gz ATOWFJRBEATVLD-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN CCC(CC)NC(=O)c1ccc(C(C)=O)s1 ZINC000032780792 168385956 /nfs/dbraw/zinc/38/59/56/168385956.db2.gz NTTYPUICGOTZAM-UHFFFAOYSA-N 0 0 239.340 2.869 50 0 BFAARN Clc1ccc(CN2CCSCC2)cc1 ZINC000004990162 342756040 /nfs/dbraw/zinc/75/60/40/342756040.db2.gz SYIHPUXECHBKQG-UHFFFAOYSA-N 0 0 227.760 2.889 50 0 BFAARN CC(C)(C)NC(=O)COc1cccc(Cl)c1 ZINC000005379639 342762806 /nfs/dbraw/zinc/76/28/06/342762806.db2.gz GETONELJKSXERD-UHFFFAOYSA-N 0 0 241.718 2.634 50 0 BFAARN CCC[C@H](O)c1ccc(OC)c(OC)c1 ZINC000005785415 342769967 /nfs/dbraw/zinc/76/99/67/342769967.db2.gz CKASWWHFEGBUKB-JTQLQIEISA-N 0 0 210.273 2.537 50 0 BFAARN CCCc1cc(=O)oc2cc(C)cc(O)c12 ZINC000006493366 342778544 /nfs/dbraw/zinc/77/85/44/342778544.db2.gz WMSVQPRIONJUIS-UHFFFAOYSA-N 0 0 218.252 2.760 50 0 BFAARN CSc1nnc(/C=C/c2ccccc2)o1 ZINC000006182785 342774864 /nfs/dbraw/zinc/77/48/64/342774864.db2.gz QOLJMFLTKXZKIA-BQYQJAHWSA-N 0 0 218.281 2.962 50 0 BFAARN CCCc1noc(-c2ccc(OC)cc2)n1 ZINC000006311385 342776211 /nfs/dbraw/zinc/77/62/11/342776211.db2.gz IANRRHFOVXFNME-UHFFFAOYSA-N 0 0 218.256 2.698 50 0 BFAARN CC(=O)Nc1nc2cc(Cl)ccc2s1 ZINC000008560637 342800644 /nfs/dbraw/zinc/80/06/44/342800644.db2.gz BWCVOBISDLHAFZ-UHFFFAOYSA-N 0 0 226.688 2.908 50 0 BFAARN Nc1nc(-c2ccc3c(c2)CCCO3)cs1 ZINC000006681895 342780859 /nfs/dbraw/zinc/78/08/59/342780859.db2.gz MQHCIGCWEBUGQS-UHFFFAOYSA-N 0 0 232.308 2.717 50 0 BFAARN Cc1ccc(C(=O)Nc2ccncc2)s1 ZINC000012536406 178437177 /nfs/dbraw/zinc/43/71/77/178437177.db2.gz BZWHLQBTEBUUMM-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN Cc1ccc(C(=O)Nc2cccnc2)c(C)c1 ZINC000001255808 178437683 /nfs/dbraw/zinc/43/76/83/178437683.db2.gz JYVVPELRIACAQK-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN CCc1[nH]nc(N)c1-c1ccc(Cl)cc1 ZINC000008701289 342802804 /nfs/dbraw/zinc/80/28/04/342802804.db2.gz OCZUWMUQUXMFMS-UHFFFAOYSA-N 0 0 221.691 2.875 50 0 BFAARN Cc1ccc(N)cc1NC(=O)CC(C)C ZINC000008703452 342802807 /nfs/dbraw/zinc/80/28/07/342802807.db2.gz FMCJDIMQJUAMGW-UHFFFAOYSA-N 0 0 206.289 2.562 50 0 BFAARN CCOc1ncc(Br)cc1C ZINC000006870203 342785251 /nfs/dbraw/zinc/78/52/51/342785251.db2.gz KJXFWKLSNMFKSK-UHFFFAOYSA-N 0 0 216.078 2.551 50 0 BFAARN CCc1[nH]nc(N)c1-c1cccc(Cl)c1 ZINC000008701447 342802876 /nfs/dbraw/zinc/80/28/76/342802876.db2.gz LLHHROLCLLKKIY-UHFFFAOYSA-N 0 0 221.691 2.875 50 0 BFAARN Cc1ccc(NC(=O)Nc2ccon2)cc1 ZINC000002631260 342790072 /nfs/dbraw/zinc/79/00/72/342790072.db2.gz YZONZISUBDEPQY-UHFFFAOYSA-N 0 0 217.228 2.627 50 0 BFAARN CC(C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000007264093 342790605 /nfs/dbraw/zinc/79/06/05/342790605.db2.gz INUZQBFAWXFNGW-CYBMUJFWSA-N 0 0 217.312 2.836 50 0 BFAARN C[C@@H](Nc1ncnc2nc[nH]c21)c1ccccc1 ZINC000002719611 342792323 /nfs/dbraw/zinc/79/23/23/342792323.db2.gz OPBOKLRORBKBAN-SECBINFHSA-N 0 0 239.282 2.526 50 0 aggregator BFAARN CC[C@H]1CCCCN1C(=O)c1ccco1 ZINC000002750608 342793036 /nfs/dbraw/zinc/79/30/36/342793036.db2.gz LADITAMZKFVMBQ-JTQLQIEISA-N 0 0 207.273 2.684 50 0 BFAARN Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000002772832 342793259 /nfs/dbraw/zinc/79/32/59/342793259.db2.gz CKXXJTFRQDBQJU-WCQYABFASA-N 0 0 248.326 2.684 50 0 BFAARN Cc1cc(C)cc(O[C@@H](C)C(=O)NC(C)C)c1 ZINC000008041510 342795829 /nfs/dbraw/zinc/79/58/29/342795829.db2.gz YDNOLHQAHFTSBY-LBPRGKRZSA-N 0 0 235.327 2.595 50 0 BFAARN Cc1ccc(NC(=O)CC(C)C)c(O)c1 ZINC000008378796 342798794 /nfs/dbraw/zinc/79/87/94/342798794.db2.gz SHBNLFWNJPGAPZ-UHFFFAOYSA-N 0 0 207.273 2.685 50 0 BFAARN Clc1nc(Cl)n(CCc2ccccc2)n1 ZINC000009142819 342808680 /nfs/dbraw/zinc/80/86/80/342808680.db2.gz UJGCVAUILIPKOP-UHFFFAOYSA-N 0 0 242.109 2.828 50 0 BFAARN CCCC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000009229935 342810917 /nfs/dbraw/zinc/81/09/17/342810917.db2.gz YKRCAPDVIGFICB-UHFFFAOYSA-N 0 0 246.310 2.774 50 0 BFAARN CCCc1c(C)nc(Nc2ccccc2)[nH]c1=O ZINC000009264676 342811487 /nfs/dbraw/zinc/81/14/87/342811487.db2.gz IWZFXZHIPHLRAD-UHFFFAOYSA-N 0 0 243.310 2.774 50 0 BFAARN COC(=O)C1(c2ccccc2F)CCCC1 ZINC000009280729 342811780 /nfs/dbraw/zinc/81/17/80/342811780.db2.gz TXZVOFFULSJAER-UHFFFAOYSA-N 0 0 222.259 2.811 50 0 BFAARN Cc1ccc(C(=O)c2cc(F)ccc2F)nc1 ZINC000045028566 178445976 /nfs/dbraw/zinc/44/59/76/178445976.db2.gz JVIRTMPCNYTQMH-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN O=C1CCCc2onc(Nc3ccccc3)c21 ZINC000009668939 342824365 /nfs/dbraw/zinc/82/43/65/342824365.db2.gz JHUGLZCZVODVSN-UHFFFAOYSA-N 0 0 228.251 2.937 50 0 BFAARN Cc1ccc(C(=O)Oc2ccccc2O)cc1 ZINC000000377001 178445060 /nfs/dbraw/zinc/44/50/60/178445060.db2.gz GHTQYBVGPBIZCV-UHFFFAOYSA-N 0 0 228.247 2.920 50 0 BFAARN CCC(CC)Sc1nnc(NC(C)=O)s1 ZINC000170594946 168397319 /nfs/dbraw/zinc/39/73/19/168397319.db2.gz IGBKBIKVKHTQOI-UHFFFAOYSA-N 0 0 245.373 2.777 50 0 BFAARN CC[C@@H](C)Oc1ccc(NC(C)=O)cc1 ZINC000010470255 342836565 /nfs/dbraw/zinc/83/65/65/342836565.db2.gz ZCQCUCIDQQCYIT-SECBINFHSA-N 0 0 207.273 2.822 50 0 BFAARN CCCCC[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000010474826 342836573 /nfs/dbraw/zinc/83/65/73/342836573.db2.gz ISOZUCLNRGFQLE-UHFFFAOYSA-N 0 0 221.300 2.665 50 0 BFAARN Cc1nc(SCc2cccc(C)c2)n[nH]1 ZINC000011702673 342842665 /nfs/dbraw/zinc/84/26/65/342842665.db2.gz RKSMULUAHZZXEN-UHFFFAOYSA-N 0 0 219.313 2.714 50 0 BFAARN CCOc1ccc2c(c1)[C@H](O)CC(C)(C)O2 ZINC000011568129 342841557 /nfs/dbraw/zinc/84/15/57/342841557.db2.gz BZBKSEGFBFWCKO-LLVKDONJSA-N 0 0 222.284 2.680 50 0 BFAARN O=C1CCCC[C@@H]1C[C@@H]1CCCCC1=O ZINC000012341690 342849342 /nfs/dbraw/zinc/84/93/42/342849342.db2.gz CNVYERSDZLTUQK-PHIMTYICSA-N 0 0 208.301 2.895 50 0 BFAARN Nc1ccc(-n2ccc(C(F)(F)F)n2)c(F)c1 ZINC000012395409 342851044 /nfs/dbraw/zinc/85/10/44/342851044.db2.gz NIDQSEJKHUEIDQ-UHFFFAOYSA-N 0 0 245.179 2.612 50 0 BFAARN Cc1ccc(NC(=O)Cc2ccc(F)cc2)nc1 ZINC000012539724 342853911 /nfs/dbraw/zinc/85/39/11/342853911.db2.gz ZPCVUHBZQDIALA-UHFFFAOYSA-N 0 0 244.269 2.710 50 0 BFAARN COC(=O)Cc1c(C)nc2ccccc2c1C ZINC000012538963 342853971 /nfs/dbraw/zinc/85/39/71/342853971.db2.gz JCRVYQLBRQOBIW-UHFFFAOYSA-N 0 0 229.279 2.567 50 0 BFAARN CCCCCN1C(=S)N=NC1c1ccncc1 ZINC000012923160 342861169 /nfs/dbraw/zinc/86/11/69/342861169.db2.gz VSQDOCBKCDZNFN-UHFFFAOYSA-N 0 0 248.355 2.819 50 0 BFAARN CC(C)(C)NC(=O)c1ccc(OC(F)F)cc1 ZINC000032666434 342861584 /nfs/dbraw/zinc/86/15/84/342861584.db2.gz NJBHHYGBLYXKTQ-UHFFFAOYSA-N 0 0 243.253 2.816 50 0 BFAARN CC(C)(C)OC(=O)N[C@@H]1CC(=O)CC(C)(C)C1 ZINC000521398342 398303451 /nfs/dbraw/zinc/30/34/51/398303451.db2.gz UNBAMXRPPJFULU-SECBINFHSA-N 0 0 241.331 2.659 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000032721499 342869199 /nfs/dbraw/zinc/86/91/99/342869199.db2.gz KEROWRDSVUVMLJ-VMBLYGAWSA-N 0 0 233.355 2.583 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000032721498 342869227 /nfs/dbraw/zinc/86/92/27/342869227.db2.gz KEROWRDSVUVMLJ-ZOSDIUFLSA-N 0 0 233.355 2.583 50 0 BFAARN CCc1c(C)scc1C(=O)Nc1ccon1 ZINC000013745842 342871190 /nfs/dbraw/zinc/87/11/90/342871190.db2.gz PNFZWPQLFYYNOM-UHFFFAOYSA-N 0 0 236.296 2.859 50 0 BFAARN CN(Cc1ccsc1)C(=O)C(C)(C)C ZINC000032741253 342871710 /nfs/dbraw/zinc/87/17/10/342871710.db2.gz REANVCIGXVRYQB-UHFFFAOYSA-N 0 0 211.330 2.753 50 0 BFAARN CSCC(=O)c1c(F)cccc1F ZINC000038064033 342875943 /nfs/dbraw/zinc/87/59/43/342875943.db2.gz ASPBPGRBWYPHQO-UHFFFAOYSA-N 0 0 202.225 2.511 50 0 BFAARN Fc1ccc2[nH]c3c(cn[nH]c3=S)c2c1 ZINC000012803943 342858649 /nfs/dbraw/zinc/85/86/49/342858649.db2.gz OPFRWXOSTFUEEV-UHFFFAOYSA-N 0 0 219.244 2.539 50 0 BFAARN COC(=O)/C(=C\c1cccs1)c1ccncc1 ZINC000096297249 398317266 /nfs/dbraw/zinc/31/72/66/398317266.db2.gz RBRDUYKJESEDCK-XFXZXTDPSA-N 0 0 245.303 2.857 50 0 BFAARN C/C=C\CSCc1ccc(C(N)=O)cc1 ZINC000096404869 398317434 /nfs/dbraw/zinc/31/74/34/398317434.db2.gz MGBVNWDURPPWQH-IHWYPQMZSA-N 0 0 221.325 2.595 50 0 BFAARN Nc1nc2c(cc(F)cc2Cl)s1 ZINC000015442789 342896340 /nfs/dbraw/zinc/89/63/40/342896340.db2.gz TYFVRZURNJXRTK-UHFFFAOYSA-N 0 0 202.641 2.671 50 0 BFAARN CCCCC(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000096409461 398317682 /nfs/dbraw/zinc/31/76/82/398317682.db2.gz XPFIERKTXCSNAQ-GHMZBOCLSA-N 0 0 229.389 2.967 50 0 BFAARN CC[C@@H](C)NC(=O)/C=C\c1ccc(F)cc1 ZINC000096446191 398318268 /nfs/dbraw/zinc/31/82/68/398318268.db2.gz KOOJCJQGKBMPMJ-ABRRARGCSA-N 0 0 221.275 2.754 50 0 BFAARN CC(C)(C)OC(=O)N1C(=O)Cc2ccccc21 ZINC000014517214 342881834 /nfs/dbraw/zinc/88/18/34/342881834.db2.gz UZMPOHKOMYCYCZ-UHFFFAOYSA-N 0 0 233.267 2.511 50 0 BFAARN Cc1ccc(N)c(OC[C@H]2CCCCO2)c1 ZINC000014629713 342882784 /nfs/dbraw/zinc/88/27/84/342882784.db2.gz QRYOGNRUZOGJEX-LLVKDONJSA-N 0 0 221.300 2.525 50 0 BFAARN Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000014629349 342882865 /nfs/dbraw/zinc/88/28/65/342882865.db2.gz DWXJHRYYUSBBHE-JTQLQIEISA-N 0 0 241.718 2.870 50 0 BFAARN CCOc1ccc(N)c(C(F)(F)F)c1 ZINC000014630311 342883050 /nfs/dbraw/zinc/88/30/50/342883050.db2.gz ITILAORUYLLCNC-UHFFFAOYSA-N 0 0 205.179 2.686 50 0 BFAARN CONC(=O)c1ccccc1Cc1ccccc1 ZINC000032848398 342883517 /nfs/dbraw/zinc/88/35/17/342883517.db2.gz SIZYBXMKRRSTEM-UHFFFAOYSA-N 0 0 241.290 2.569 50 0 BFAARN CCOc1ccc([C@@H](C)NC(=O)NC2CC2)cc1 ZINC000032860275 342887710 /nfs/dbraw/zinc/88/77/10/342887710.db2.gz RQPGRJNEJCVHEO-SNVBAGLBSA-N 0 0 248.326 2.608 50 0 BFAARN CC(C)CNC(=O)Nc1ccc(F)cc1 ZINC000015202398 342893318 /nfs/dbraw/zinc/89/33/18/342893318.db2.gz CYBUQGBJNVBSOM-UHFFFAOYSA-N 0 0 210.252 2.603 50 0 BFAARN CCc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000016604360 342913257 /nfs/dbraw/zinc/91/32/57/342913257.db2.gz NJHCZZOEUKTJAV-FZMZJTMJSA-N 0 0 247.338 2.546 50 0 BFAARN Clc1ccc(NCc2ccccc2)nn1 ZINC000015774233 342900865 /nfs/dbraw/zinc/90/08/65/342900865.db2.gz HNJMQBUIQSWTSV-UHFFFAOYSA-N 0 0 219.675 2.742 50 0 BFAARN O=C([O-])c1ccc(C[NH+]2CCCCCC2)s1 ZINC000016943921 342917620 /nfs/dbraw/zinc/91/76/20/342917620.db2.gz FLDMGMFCFPJMHW-UHFFFAOYSA-N 0 0 239.340 2.822 50 0 BFAARN Nc1ccc(-c2cccc(Cl)c2)cn1 ZINC000016946492 342917862 /nfs/dbraw/zinc/91/78/62/342917862.db2.gz YLBIMHAAQBBISK-UHFFFAOYSA-N 0 0 204.660 2.984 50 0 BFAARN COC(=O)CCSCc1ccccc1F ZINC000016971078 342918191 /nfs/dbraw/zinc/91/81/91/342918191.db2.gz GVBJRCCJKVJWLZ-UHFFFAOYSA-N 0 0 228.288 2.622 50 0 BFAARN O=C(c1ccoc1)N(Cc1ccco1)C1CC1 ZINC000006670616 349649341 /nfs/dbraw/zinc/64/93/41/349649341.db2.gz RFPNEONOOLGAII-UHFFFAOYSA-N 0 0 231.251 2.677 50 0 BFAARN O=c1[nH]nc(-c2ccccc2)c2ccccc12 ZINC000018276907 342936008 /nfs/dbraw/zinc/93/60/08/342936008.db2.gz XCJLBNVENUPHEA-UHFFFAOYSA-N 0 0 222.247 2.590 50 0 BFAARN Nc1ccnn1Cc1ccccc1C(F)(F)F ZINC000019091173 342941327 /nfs/dbraw/zinc/94/13/27/342941327.db2.gz FRVGKUCNEILPOV-UHFFFAOYSA-N 0 0 241.216 2.532 50 0 BFAARN Clc1ccc(OCc2ccccc2)nn1 ZINC000019415287 342948201 /nfs/dbraw/zinc/94/82/01/342948201.db2.gz YRAUAJNDSLLHKM-UHFFFAOYSA-N 0 0 220.659 2.709 50 0 BFAARN Cc1ccc(NC(=O)Cc2ccccc2)cc1N ZINC000019471277 342949035 /nfs/dbraw/zinc/94/90/35/342949035.db2.gz VOCLXLUSQNGZFI-UHFFFAOYSA-N 0 0 240.306 2.758 50 0 BFAARN Cc1c(N)cccc1NC(=O)c1ccc(F)cc1 ZINC000019736253 342955446 /nfs/dbraw/zinc/95/54/46/342955446.db2.gz OHHFGARZEHJKBG-UHFFFAOYSA-N 0 0 244.269 2.969 50 0 BFAARN Nc1cccc(-c2cccc(-c3cc[nH]n3)c2)n1 ZINC000019720604 342954491 /nfs/dbraw/zinc/95/44/91/342954491.db2.gz VNAGWRVGHUBUET-UHFFFAOYSA-N 0 0 236.278 2.721 50 0 BFAARN CCCCCC(=O)Nc1cc(N)ccc1F ZINC000019736635 342955388 /nfs/dbraw/zinc/95/53/88/342955388.db2.gz ZWLJIXMVXOOHSC-UHFFFAOYSA-N 0 0 224.279 2.927 50 0 BFAARN CCCc1nc(-c2ccc(OC)cc2)no1 ZINC000019907303 342962903 /nfs/dbraw/zinc/96/29/03/342962903.db2.gz PPWOUOASEHENLU-UHFFFAOYSA-N 0 0 218.256 2.698 50 0 BFAARN Nc1ccc(Cl)c(C(=O)NC2CCCC2)c1 ZINC000020193969 342975576 /nfs/dbraw/zinc/97/55/76/342975576.db2.gz ZBXHYTUJCQUKKI-UHFFFAOYSA-N 0 0 238.718 2.595 50 0 BFAARN CC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000078152234 259336450 /nfs/dbraw/zinc/33/64/50/259336450.db2.gz QFLGJBVPCJJYCM-KBPBESRZSA-N 0 0 217.312 2.534 50 0 BFAARN O=C(c1ccc(N2CCCC2)cc1)N1CCCC1 ZINC000020019504 342966301 /nfs/dbraw/zinc/96/63/01/342966301.db2.gz UFJFBOZACVHIQV-UHFFFAOYSA-N 0 0 244.338 2.523 50 0 BFAARN C=CS(=O)(=O)Nc1ccc2ccccc2c1 ZINC000020068884 342967979 /nfs/dbraw/zinc/96/79/79/342967979.db2.gz ZNEKNTIVOVZSKE-UHFFFAOYSA-N 0 0 233.292 2.725 50 0 BFAARN CC(=O)NCc1ccc(Cl)cc1Cl ZINC000020238694 342978030 /nfs/dbraw/zinc/97/80/30/342978030.db2.gz DGGQKZIDIVYLQO-UHFFFAOYSA-N 0 0 218.083 2.630 50 0 BFAARN CCN(CC)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000020283412 342980176 /nfs/dbraw/zinc/98/01/76/342980176.db2.gz ZPLWLVOUNZGRFO-UHFFFAOYSA-N 0 0 234.299 2.763 50 0 BFAARN Cc1ccc(N[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000020313095 342981593 /nfs/dbraw/zinc/98/15/93/342981593.db2.gz ZTFSAOUYEYWHPU-LLVKDONJSA-N 0 0 234.343 2.710 50 0 BFAARN Cc1ccc(N[C@H](C)C(=O)NCC(C)C)c(C)c1 ZINC000020312767 342981630 /nfs/dbraw/zinc/98/16/30/342981630.db2.gz HVELIKDUIBUCKH-CYBMUJFWSA-N 0 0 248.370 2.876 50 0 BFAARN Nc1ccc(NC(=O)c2cccnc2)c(Cl)c1 ZINC000020344199 342982414 /nfs/dbraw/zinc/98/24/14/342982414.db2.gz JJGSNAVCHJZUKT-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN CC(C)CC(=O)Nc1cc(N)ccc1Cl ZINC000020343040 342982455 /nfs/dbraw/zinc/98/24/55/342982455.db2.gz DWGFCBUKVVCQHT-UHFFFAOYSA-N 0 0 226.707 2.907 50 0 BFAARN Nc1cc(C(F)(F)F)ccc1OCC(F)F ZINC000020352073 342982817 /nfs/dbraw/zinc/98/28/17/342982817.db2.gz GZKJIJGPUYSLBO-UHFFFAOYSA-N 0 0 241.159 2.932 50 0 BFAARN COc1ccc([C@H](C)Nc2cnn(C)c2)cc1C ZINC000157331355 344021734 /nfs/dbraw/zinc/02/17/34/344021734.db2.gz KLMMTWPUBHDROS-NSHDSACASA-N 0 0 245.326 2.910 50 0 BFAARN O=C(c1ccc[nH]1)c1cc2ccccc2o1 ZINC000012781971 346913779 /nfs/dbraw/zinc/91/37/79/346913779.db2.gz PMZUMUJDARMDRL-UHFFFAOYSA-N 0 0 211.220 2.992 50 0 BFAARN O=C1C[C@@H](c2ccccc2Cl)c2c[nH]nc2N1 ZINC000020734323 342994737 /nfs/dbraw/zinc/99/47/37/342994737.db2.gz WZLWEPLDFUVQRB-QMMMGPOBSA-N 0 0 247.685 2.537 50 0 BFAARN CCC[C@@]1(C(F)(F)F)CCCN1C(C)=O ZINC000335908870 136261547 /nfs/dbraw/zinc/26/15/47/136261547.db2.gz LOYIMVRNNQVHKD-VIFPVBQESA-N 0 0 223.238 2.730 50 0 BFAARN COC(=O)c1ccnc(C(F)(F)F)c1Cl ZINC000167733286 346916497 /nfs/dbraw/zinc/91/64/97/346916497.db2.gz QUUWYECFAWHCDC-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN Cc1ccc(NC(=O)c2ccoc2)c(O)c1 ZINC000021900391 343026910 /nfs/dbraw/zinc/02/69/10/343026910.db2.gz RJANIOHHYQPDMT-UHFFFAOYSA-N 0 0 217.224 2.546 50 0 BFAARN Cc1ccc(C)c(NCC(=O)N2CCCCC2)c1 ZINC000058374134 178483634 /nfs/dbraw/zinc/48/36/34/178483634.db2.gz SBHIAEHRJABUSL-UHFFFAOYSA-N 0 0 246.354 2.728 50 0 BFAARN Cc1occc1C(=O)Nc1cc(N)ccc1F ZINC000021953526 343029727 /nfs/dbraw/zinc/02/97/27/343029727.db2.gz HVKTXOUOZJSMPE-UHFFFAOYSA-N 0 0 234.230 2.562 50 0 BFAARN Clc1ccnc2cc3c(cc12)OCO3 ZINC000021987236 343031939 /nfs/dbraw/zinc/03/19/39/343031939.db2.gz GRUBPJPDFFLKQE-UHFFFAOYSA-N 0 0 207.616 2.617 50 0 BFAARN N[C@@H](c1ccc(F)cc1)[C@@H]([NH3+])c1ccc(F)cc1 ZINC000022029536 343037066 /nfs/dbraw/zinc/03/70/66/343037066.db2.gz DWKHQEHNAPMAGG-KBPBESRZSA-N 0 0 248.276 2.665 50 0 BFAARN CC(C)(C)CC(=O)Nc1cccc2c[nH]nc21 ZINC000025585512 343092428 /nfs/dbraw/zinc/09/24/28/343092428.db2.gz ACPWDFNBGQVEKD-UHFFFAOYSA-N 0 0 231.299 2.938 50 0 BFAARN Fc1ccc(Br)c2c1NCC2 ZINC000036336209 343075170 /nfs/dbraw/zinc/07/51/70/343075170.db2.gz ZDLYFOXOODEGCB-UHFFFAOYSA-N 0 0 216.053 2.556 50 0 BFAARN CC(C)c1noc(CN(C)C2CCCC2)n1 ZINC000042541120 362007444 /nfs/dbraw/zinc/00/74/44/362007444.db2.gz PFRJEDVNWJSLIL-UHFFFAOYSA-N 0 0 223.320 2.567 50 0 BFAARN CC1(C)C[C@]23C(=O)CC[C@H](O)[C@]2(C)CC[C@@H]13 ZINC000013298579 343077571 /nfs/dbraw/zinc/07/75/71/343077571.db2.gz UHRWOVVMQAASAO-NUZBWSBOSA-N 0 0 222.328 2.543 50 0 in-vitro BFAARN O=c1[nH]c(-c2ccccc2)cn1-c1ccccc1 ZINC000027709127 343123666 /nfs/dbraw/zinc/12/36/66/343123666.db2.gz ALGBWUXZUSQIQY-UHFFFAOYSA-N 0 0 236.274 2.833 50 0 BFAARN CC(C)(C)c1ccc(-c2nc(N)no2)cc1 ZINC000028404117 343129313 /nfs/dbraw/zinc/12/93/13/343129313.db2.gz XAMGFSAZAYEVAS-UHFFFAOYSA-N 0 0 217.272 2.616 50 0 BFAARN O=C(CCc1cccs1)NCc1ccco1 ZINC000028648510 343130397 /nfs/dbraw/zinc/13/03/97/343130397.db2.gz PWDVTIXTSRPIGW-UHFFFAOYSA-N 0 0 235.308 2.590 50 0 BFAARN OCCc1cscc1-c1ccccc1 ZINC000117855925 136275448 /nfs/dbraw/zinc/27/54/48/136275448.db2.gz LCZBURNPKZNQFE-UHFFFAOYSA-N 0 0 204.294 2.950 50 0 BFAARN Clc1ccc2c(Cl)nc(Cl)nc2n1 ZINC000030678540 343193467 /nfs/dbraw/zinc/19/34/67/343193467.db2.gz DNFDLCRLLQVUQK-UHFFFAOYSA-N 0 0 234.473 2.985 50 0 BFAARN O=C(c1ccc2c(c1)CCC2)N1CCCCC1 ZINC000032666213 343239850 /nfs/dbraw/zinc/23/98/50/343239850.db2.gz ORRVDYQHEDJUSO-UHFFFAOYSA-N 0 0 229.323 2.801 50 0 BFAARN CCN(C(=O)c1ccc2ccccc2n1)C1CC1 ZINC000032760905 343242275 /nfs/dbraw/zinc/24/22/75/343242275.db2.gz FVWPENZOELKSNJ-UHFFFAOYSA-N 0 0 240.306 2.859 50 0 BFAARN O=C([C@@H]1CC=CCC1)N1CCc2ccccc21 ZINC000032999924 343245863 /nfs/dbraw/zinc/24/58/63/343245863.db2.gz MUMRQXCLHUXEPC-CYBMUJFWSA-N 0 0 227.307 2.932 50 0 BFAARN CC1(C)COc2ccc(Cl)cc2C1=O ZINC000005705875 346931708 /nfs/dbraw/zinc/93/17/08/346931708.db2.gz IAEDTBAUTYFBCO-UHFFFAOYSA-N 0 0 210.660 2.941 50 0 BFAARN CC(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000033817565 343261703 /nfs/dbraw/zinc/26/17/03/343261703.db2.gz WVIRSYCDAYUOMJ-AKJUYKBHSA-N 0 0 221.344 2.872 50 0 BFAARN CC(C)(C)OC(=O)Nc1c(N)cccc1F ZINC000034181838 343266035 /nfs/dbraw/zinc/26/60/35/343266035.db2.gz KKTBITIKAFIQJM-UHFFFAOYSA-N 0 0 226.251 2.755 50 0 BFAARN C[C@@]12CCC(=O)N1CCc1c3ccccc3[nH]c12 ZINC000034463235 343271736 /nfs/dbraw/zinc/27/17/36/343271736.db2.gz YZCPZTYKWQSAJI-HNNXBMFYSA-N 0 0 240.306 2.562 50 0 BFAARN ClC12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 ZINC000005009910 343273904 /nfs/dbraw/zinc/27/39/04/343273904.db2.gz NETYYIOBMQNRJM-ZYANWLCNSA-N 0 0 237.734 2.565 50 0 BFAARN Cc1ccc2c(c1)NC(=O)c1cc(N)ccc1O2 ZINC000034936228 343280840 /nfs/dbraw/zinc/28/08/40/343280840.db2.gz CDUPKIWBASICCK-UHFFFAOYSA-N 0 0 240.262 2.935 50 0 BFAARN Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000034976194 343282206 /nfs/dbraw/zinc/28/22/06/343282206.db2.gz FFTUPFXYVRUGKW-UHFFFAOYSA-N 0 0 213.284 2.722 50 0 BFAARN O=C1CCCOc2cc3c(cc21)CCC3 ZINC000034974991 343282314 /nfs/dbraw/zinc/28/23/14/343282314.db2.gz ZVODBHXATUGMTO-UHFFFAOYSA-N 0 0 202.253 2.531 50 0 BFAARN O=C1CCOc2cc(Cl)cc(Cl)c21 ZINC000036813834 343324857 /nfs/dbraw/zinc/32/48/57/343324857.db2.gz LTWDKHFUIPDBEU-UHFFFAOYSA-N 0 0 217.051 2.959 50 0 BFAARN CSc1cccnc1Br ZINC000035882142 343305206 /nfs/dbraw/zinc/30/52/06/343305206.db2.gz QDUBYPZLIZYQNK-UHFFFAOYSA-N 0 0 204.092 2.566 50 0 BFAARN Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000036269977 343313478 /nfs/dbraw/zinc/31/34/78/343313478.db2.gz IQVUGXWFXKDEOI-JTQLQIEISA-N 0 0 216.284 2.564 50 0 BFAARN Cc1ccc(C2=NNC(=O)[C@H]3CCCC[C@@H]23)cc1 ZINC000006814425 178513243 /nfs/dbraw/zinc/51/32/43/178513243.db2.gz CAGGMZIQVSXHRG-OLZOCXBDSA-N 0 0 242.322 2.635 50 0 BFAARN Cc1ccc(NC(=O)[C@H]2CC2(C)C)cc1 ZINC000000003263 343371756 /nfs/dbraw/zinc/37/17/56/343371756.db2.gz DHKDXOPXQOLGJT-LLVKDONJSA-N 0 0 203.285 2.980 50 0 BFAARN Nc1c(Br)ccc2ncccc12 ZINC000038537192 343376557 /nfs/dbraw/zinc/37/65/57/343376557.db2.gz NTJCDJVVAOAONR-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN COC(=O)CCc1cccc(Br)c1 ZINC000038537487 343376895 /nfs/dbraw/zinc/37/68/95/343376895.db2.gz DJJHVPBMUQLOCB-UHFFFAOYSA-N 0 0 243.100 2.555 50 0 BFAARN O=C([O-])c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000037453528 343345483 /nfs/dbraw/zinc/34/54/83/343345483.db2.gz OEWZQATXQINCCC-UHFFFAOYSA-N 0 0 214.224 2.523 50 0 BFAARN CCOc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000013326432 346935501 /nfs/dbraw/zinc/93/55/01/346935501.db2.gz QBARECPEBXJSAF-SKDRFNHKSA-N 0 0 219.284 2.680 50 0 BFAARN Nc1ccccc1C[NH2+]Cc1ccccc1 ZINC000039256406 343387868 /nfs/dbraw/zinc/38/78/68/343387868.db2.gz FTSXPJFPSSHMFW-UHFFFAOYSA-N 0 0 212.296 2.559 50 0 BFAARN O=C1CCOc2cc(Cl)c(Cl)cc21 ZINC000039261190 343387957 /nfs/dbraw/zinc/38/79/57/343387957.db2.gz KKDHVYHUAYOZCR-UHFFFAOYSA-N 0 0 217.051 2.959 50 0 BFAARN Cc1cccc(NC(=O)c2ccc(F)c(F)c2)n1 ZINC000040395816 343402053 /nfs/dbraw/zinc/40/20/53/343402053.db2.gz FBBHBWKXALNSTR-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)c1ccoc1 ZINC000040474245 343405018 /nfs/dbraw/zinc/40/50/18/343405018.db2.gz YKBWVZDLXGOXME-LLVKDONJSA-N 0 0 207.273 2.684 50 0 BFAARN CC[C@H]1CCCCN1C(=O)c1ccoc1 ZINC000040474246 343405180 /nfs/dbraw/zinc/40/51/80/343405180.db2.gz YKBWVZDLXGOXME-NSHDSACASA-N 0 0 207.273 2.684 50 0 BFAARN Cc1ccsc1C(=O)N(C)[C@@H](C)C1CC1 ZINC000040490141 343405314 /nfs/dbraw/zinc/40/53/14/343405314.db2.gz KTJKUAQCZNVJMR-VIFPVBQESA-N 0 0 223.341 2.927 50 0 BFAARN CCCc1ccc([C@H](O)Cn2ccnc2)cc1 ZINC000041256304 343417933 /nfs/dbraw/zinc/41/79/33/343417933.db2.gz SBMMRMXIJVRSQU-CQSZACIVSA-N 0 0 230.311 2.569 50 0 BFAARN CC(C)N(C)c1ccc(Br)cn1 ZINC000042376730 343435578 /nfs/dbraw/zinc/43/55/78/343435578.db2.gz GSAXHILKQMXJCM-UHFFFAOYSA-N 0 0 229.121 2.689 50 0 BFAARN Ic1cccc2[nH]ccc21 ZINC000042689701 343447707 /nfs/dbraw/zinc/44/77/07/343447707.db2.gz XVRDITINKCASST-UHFFFAOYSA-N 0 0 243.047 2.773 50 0 BFAARN Clc1cc(Br)c2cc[nH]c2n1 ZINC000042689479 343447741 /nfs/dbraw/zinc/44/77/41/343447741.db2.gz OATRMIWUNLJMJV-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 in-vitro BFAARN Cc1ncccc1NC(=O)C(C)(C)C(F)F ZINC000335879834 136356900 /nfs/dbraw/zinc/35/69/00/136356900.db2.gz ZKFYLELSTXQBBS-UHFFFAOYSA-N 0 0 228.242 2.620 50 0 BFAARN O=C(c1cc(C2CC2)on1)N1CCCCCC1 ZINC000013363685 362222549 /nfs/dbraw/zinc/22/25/49/362222549.db2.gz PQYKRXAKKZEMHT-UHFFFAOYSA-N 0 0 234.299 2.568 50 0 BFAARN Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000043569354 343477908 /nfs/dbraw/zinc/47/79/08/343477908.db2.gz NDSYIIRNBCKRPQ-UHFFFAOYSA-N 0 0 222.194 2.734 50 0 BFAARN C[C@H](O)CCc1ccc(Br)cc1 ZINC000043656760 343479572 /nfs/dbraw/zinc/47/95/72/343479572.db2.gz QUYKPVOFFUPFDD-QMMMGPOBSA-N 0 0 229.117 2.763 50 0 BFAARN O=C(c1ccccn1)c1cccc(F)c1F ZINC000043210488 343465822 /nfs/dbraw/zinc/46/58/22/343465822.db2.gz YVZQUCBAZNWYNK-UHFFFAOYSA-N 0 0 219.190 2.591 50 0 BFAARN COc1ccc(C(=O)c2cccc(C)n2)cc1 ZINC000045028462 343521533 /nfs/dbraw/zinc/52/15/33/343521533.db2.gz LMQWNNHDYABVGM-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN Cc1c[nH]c2ncc(Br)cc12 ZINC000045166751 343524778 /nfs/dbraw/zinc/52/47/78/343524778.db2.gz KFXLHKPTNMYOLR-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1sc2[nH]c(-c3ccco3)nc(=O)c2c1C ZINC000047681720 343565115 /nfs/dbraw/zinc/56/51/15/343565115.db2.gz SHNKMTWKCNRVAC-UHFFFAOYSA-N 0 0 246.291 2.861 50 0 BFAARN Cc1ccoc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000048354109 343578879 /nfs/dbraw/zinc/57/88/79/343578879.db2.gz DEFAOUGAKFMTBM-NXEZZACHSA-N 0 0 221.300 2.706 50 0 BFAARN O=Cc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC000060022842 343715215 /nfs/dbraw/zinc/71/52/15/343715215.db2.gz NJUCJXLKMXUITL-UHFFFAOYSA-N 0 0 220.011 2.714 50 0 BFAARN C[C@H](CC(=O)Nc1cccc(F)c1)n1ccnc1 ZINC000021917330 343778253 /nfs/dbraw/zinc/77/82/53/343778253.db2.gz MJHXIXMUQJRGMN-SNVBAGLBSA-N 0 0 247.273 2.612 50 0 BFAARN CC1(C)OC(C)(C)/C(=C/N2CCCCC2)C1=O ZINC000000715438 537822541 /nfs/dbraw/zinc/82/25/41/537822541.db2.gz PAQHYBSHYAEQCY-ZHACJKMWSA-N 0 0 237.343 2.513 50 0 BFAARN Cc1ccc(CNC(=O)NC(C)(C)C)cc1C ZINC000000398404 178593952 /nfs/dbraw/zinc/59/39/52/178593952.db2.gz GBKCHZQOQVTAOQ-UHFFFAOYSA-N 0 0 234.343 2.901 50 0 BFAARN Cc1c(N[C@H](C)c2ccsc2)cnn1C ZINC000095991770 343885244 /nfs/dbraw/zinc/88/52/44/343885244.db2.gz NLGZQSXYSCYNND-MRVPVSSYSA-N 0 0 221.329 2.963 50 0 BFAARN O=C(C[C@@H]1C=CCC1)N1CCC(CF)CC1 ZINC000334543123 343891119 /nfs/dbraw/zinc/89/11/19/343891119.db2.gz FSCNRHPRYDYCDV-LLVKDONJSA-N 0 0 225.307 2.551 50 0 BFAARN CC(C)(C)c1ccc(O)c(-n2cccn2)c1 ZINC000075626706 192368405 /nfs/dbraw/zinc/36/84/05/192368405.db2.gz NAPDHZKXJUVIQQ-UHFFFAOYSA-N 0 0 216.284 2.875 50 0 BFAARN CCCCCn1ncc(Cl)c(Cl)c1=O ZINC000023115077 344097539 /nfs/dbraw/zinc/09/75/39/344097539.db2.gz PFCOMZCAPYUMDG-UHFFFAOYSA-N 0 0 235.114 2.740 50 0 BFAARN CCOc1ccc(Cn2ccnc2C(C)C)nc1 ZINC000097236181 344102030 /nfs/dbraw/zinc/10/20/30/344102030.db2.gz GNXXFGTWWGXKLP-UHFFFAOYSA-N 0 0 245.326 2.849 50 0 BFAARN C=CC(=O)NCc1csc2ccccc12 ZINC000585141848 344173502 /nfs/dbraw/zinc/17/35/02/344173502.db2.gz GQLIOFGNYUBRPP-UHFFFAOYSA-N 0 0 217.293 2.704 50 0 BFAARN CCSc1nnc(-c2cccs2)n1C ZINC000058451777 344123662 /nfs/dbraw/zinc/12/36/62/344123662.db2.gz ACIDIOSAMLSHEL-UHFFFAOYSA-N 0 0 225.342 2.656 50 0 BFAARN O=C1CSCN1c1ccc(C(F)(F)F)cc1 ZINC000000074324 344237102 /nfs/dbraw/zinc/23/71/02/344237102.db2.gz KEKWCAINDSWEGE-UHFFFAOYSA-N 0 0 247.241 2.743 50 0 BFAARN Cc1ccc(Cl)c(CN2CCOC2=O)c1F ZINC000095523033 178657171 /nfs/dbraw/zinc/65/71/71/178657171.db2.gz QPXMFSFIQVVSDG-UHFFFAOYSA-N 0 0 243.665 2.740 50 0 BFAARN Cc1cccc(C(=O)Nc2ncccc2C)c1 ZINC000011535897 344356193 /nfs/dbraw/zinc/35/61/93/344356193.db2.gz UFXHFDMZPQHXMP-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1ccc(Cl)cc1N1C(=S)N=NC1C ZINC000006401150 178661465 /nfs/dbraw/zinc/66/14/65/178661465.db2.gz PYCYGHVZMXKLGY-UHFFFAOYSA-N 0 0 239.731 2.826 50 0 BFAARN C[C@@]1(F)C[C@@H](C(=O)OCc2ccccc2)C1 ZINC000306917524 344491756 /nfs/dbraw/zinc/49/17/56/344491756.db2.gz ZMSABYXKKSYNSC-AULYBMBSSA-N 0 0 222.259 2.868 50 0 BFAARN CCN1C(=O)SC(=CNc2ccccc2)C1=O ZINC000012341843 344500730 /nfs/dbraw/zinc/50/07/30/344500730.db2.gz PVGWHHNCDLILBX-CSKARUKUSA-N 0 0 248.307 2.655 50 0 BFAARN CC(C)=CCN1CCc2cnc(C(C)C)nc2C1 ZINC000072268544 344526217 /nfs/dbraw/zinc/52/62/17/344526217.db2.gz AQVHLANCRHFNMW-UHFFFAOYSA-N 0 0 245.370 2.924 50 0 BFAARN Nc1nc(Cl)cc(Nc2ccc(F)cc2)n1 ZINC000043534317 344527029 /nfs/dbraw/zinc/52/70/29/344527029.db2.gz ZBVOVRVQFDPCND-UHFFFAOYSA-N 0 0 238.653 2.595 50 0 BFAARN CC[C@H]1C(=O)O[C@@H](c2ccccc2)C(C)(C)C1=O ZINC000000128460 344560016 /nfs/dbraw/zinc/56/00/16/344560016.db2.gz BQISGOZGIFFRIQ-YPMHNXCESA-N 0 0 246.306 2.906 50 0 BFAARN CCN(CC)C(=O)c1ccc(Cl)cc1F ZINC000048231962 344586230 /nfs/dbraw/zinc/58/62/30/344586230.db2.gz WYKIOOZWYJVUAI-UHFFFAOYSA-N 0 0 229.682 2.961 50 0 BFAARN O=C1C=C(N2CCCCC2)C2(CCCCC2)O1 ZINC000000251702 344660490 /nfs/dbraw/zinc/66/04/90/344660490.db2.gz DNWVUTDCWOCQHG-UHFFFAOYSA-N 0 0 235.327 2.616 50 0 BFAARN C[C@@H](CC(=O)NCc1ccccc1)[C@H]1CCCO1 ZINC000000198735 344629623 /nfs/dbraw/zinc/62/96/23/344629623.db2.gz JCBJRIFKIORSDK-GXTWGEPZSA-N 0 0 247.338 2.508 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000000373106 344735218 /nfs/dbraw/zinc/73/52/18/344735218.db2.gz IXWNTEKSRFATRX-SECBINFHSA-N 0 0 237.299 2.688 50 0 BFAARN Cc1ccc(NC(=O)C2CCCC2)c(N)c1 ZINC000008703513 178720647 /nfs/dbraw/zinc/72/06/47/178720647.db2.gz AOUYVPCKYLWCHY-UHFFFAOYSA-N 0 0 218.300 2.706 50 0 BFAARN Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1C ZINC000007638211 178745023 /nfs/dbraw/zinc/74/50/23/178745023.db2.gz QNRXZAYXVFZKQV-ZYHUDNBSSA-N 0 0 203.285 2.898 50 0 BFAARN O=Cc1nc(C(F)(F)F)ccc1OC(F)F ZINC000390053805 344847083 /nfs/dbraw/zinc/84/70/83/344847083.db2.gz LDVCTHPXFUCEFR-UHFFFAOYSA-N 0 0 241.115 2.514 50 0 BFAARN Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1C ZINC000007638205 178750235 /nfs/dbraw/zinc/75/02/35/178750235.db2.gz QNRXZAYXVFZKQV-JQWIXIFHSA-N 0 0 203.285 2.898 50 0 BFAARN COc1ccccc1NC(=O)CCc1ccco1 ZINC000012979225 344926488 /nfs/dbraw/zinc/92/64/88/344926488.db2.gz OVXJKLOKRNKBIJ-UHFFFAOYSA-N 0 0 245.278 2.860 50 0 BFAARN CC(C)(C)C(=O)Nc1cccnc1Cl ZINC000005726578 347085561 /nfs/dbraw/zinc/08/55/61/347085561.db2.gz ONKODOZZUYXQLA-UHFFFAOYSA-N 0 0 212.680 2.720 50 0 BFAARN CC(C)CNC(=O)c1ccc(Cl)cc1F ZINC000050825625 344958387 /nfs/dbraw/zinc/95/83/87/344958387.db2.gz SOMJVOKMFHXSQG-UHFFFAOYSA-N 0 0 229.682 2.865 50 0 BFAARN Cn1c(C(=O)NC2CCCC2)cc2sccc21 ZINC000005135399 344963258 /nfs/dbraw/zinc/96/32/58/344963258.db2.gz RARBQVMYQZOBHU-UHFFFAOYSA-N 0 0 248.351 2.912 50 0 BFAARN Cc1ccc2[nH]c(-c3cc(N)ccc3O)nc2c1 ZINC000033847620 344971499 /nfs/dbraw/zinc/97/14/99/344971499.db2.gz CGDUUOXKXKSWGT-UHFFFAOYSA-N 0 0 239.278 2.826 50 0 BFAARN C[C@@H]([NH2+]CC1(C(=O)[O-])CC1)[C@@H](C)c1ccccc1 ZINC000577069538 365803619 /nfs/dbraw/zinc/80/36/19/365803619.db2.gz KGPHEDSSEXBDJB-VXGBXAGGSA-N 0 0 247.338 2.633 50 0 BFAARN C[C@@H]([NH2+]CC1(C(=O)[O-])CC1)[C@H](C)c1ccccc1 ZINC000577069536 365804032 /nfs/dbraw/zinc/80/40/32/365804032.db2.gz KGPHEDSSEXBDJB-NWDGAFQWSA-N 0 0 247.338 2.633 50 0 BFAARN CCc1cc(=O)[nH]c(Nc2cccc(Cl)c2)n1 ZINC000011903419 345060952 /nfs/dbraw/zinc/06/09/52/345060952.db2.gz JQXQJXNBBGAKQS-UHFFFAOYSA-N 0 0 249.701 2.729 50 0 BFAARN CC(C)CC(=O)Nc1onc2c1C[C@H](C)CC2 ZINC000011916767 345067716 /nfs/dbraw/zinc/06/77/16/345067716.db2.gz GWHUCUSJIVMXBI-SECBINFHSA-N 0 0 236.315 2.784 50 0 BFAARN COC(=O)c1ncsc1Nc1ccccc1 ZINC000196323322 349924883 /nfs/dbraw/zinc/92/48/83/349924883.db2.gz VKYHMCIKJMQDAJ-UHFFFAOYSA-N 0 0 234.280 2.673 50 0 BFAARN Cc1ccc(NC(=O)NC(C)C)cc1F ZINC000040512087 349924917 /nfs/dbraw/zinc/92/49/17/349924917.db2.gz JWYYBPCJGVROOH-UHFFFAOYSA-N 0 0 210.252 2.664 50 0 BFAARN CC1CC(C(=O)N2CCOc3cc(F)ccc32)C1 ZINC000084766848 345525224 /nfs/dbraw/zinc/52/52/24/345525224.db2.gz TVAZTFAHKOCFJR-UHFFFAOYSA-N 0 0 249.285 2.597 50 0 BFAARN C[C@@H](C(=O)NC1CCCCCCC1)n1cccn1 ZINC000028193903 537901353 /nfs/dbraw/zinc/90/13/53/537901353.db2.gz HSHTXHXTCLNQPQ-LBPRGKRZSA-N 0 0 249.358 2.673 50 0 BFAARN CCc1ocnc1C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000095961476 345686903 /nfs/dbraw/zinc/68/69/03/345686903.db2.gz LAQCBEDXJHOIOM-GHMZBOCLSA-N 0 0 248.326 2.642 50 0 BFAARN CN1c2ccccc2N(C)C1c1ccccn1 ZINC000000841013 345787143 /nfs/dbraw/zinc/78/71/43/345787143.db2.gz XKQJBRBLRHHAAR-UHFFFAOYSA-N 0 0 225.295 2.666 50 0 BFAARN O=C(O[C@@H]1CCc2cccnc21)c1ccco1 ZINC000189372886 345824498 /nfs/dbraw/zinc/82/44/98/345824498.db2.gz GGKPBULEFKCFRQ-SNVBAGLBSA-N 0 0 229.235 2.519 50 0 BFAARN Cc1ccc2c(cccc2NC(=O)C2CC2)n1 ZINC000000265523 345825307 /nfs/dbraw/zinc/82/53/07/345825307.db2.gz PPCZPGGYTZMWAM-UHFFFAOYSA-N 0 0 226.279 2.892 50 0 BFAARN Cc1ccc([S@](=O)CCCOC(C)C)cc1 ZINC000195579555 178934066 /nfs/dbraw/zinc/93/40/66/178934066.db2.gz NCNTUCBKPCDAER-MRXNPFEDSA-N 0 0 240.368 2.918 50 0 BFAARN Cc1ccc2c(c1)[C@H](Cc1ccco1)C(=O)N2 ZINC000096822489 178953281 /nfs/dbraw/zinc/95/32/81/178953281.db2.gz PVNQAUTYFHMZJJ-LBPRGKRZSA-N 0 0 227.263 2.866 50 0 BFAARN CC[C@@H](C)S(=O)(=O)Nc1cc(C)ccc1C ZINC000075106587 537925464 /nfs/dbraw/zinc/92/54/64/537925464.db2.gz PXLBOEVVRKJRND-LLVKDONJSA-N 0 0 241.356 2.844 50 0 BFAARN CCOC[C@@H](C)OC(=O)c1ccc(F)cc1F ZINC000190742194 345985982 /nfs/dbraw/zinc/98/59/82/345985982.db2.gz CZZITBJLHVYXHK-MRVPVSSYSA-N 0 0 244.237 2.547 50 0 BFAARN Cc1cc(NC(=O)Cc2ccc(C)cc2C)no1 ZINC000005268123 345988981 /nfs/dbraw/zinc/98/89/81/345988981.db2.gz KMJYUWHFUOKGSU-UHFFFAOYSA-N 0 0 244.294 2.781 50 0 BFAARN O=C(CCc1c[nH]c2ccccc12)N1CCCC1 ZINC000005392397 346209170 /nfs/dbraw/zinc/20/91/70/346209170.db2.gz GIKVDHLSSAUXLB-UHFFFAOYSA-N 0 0 242.322 2.723 50 0 BFAARN Cc1ccc2c(c1)O[C@H](C)CC(=S)N2 ZINC000005330989 346189145 /nfs/dbraw/zinc/18/91/45/346189145.db2.gz QXELYVQGFQCLCB-MRVPVSSYSA-N 0 0 207.298 2.905 50 0 BFAARN Cc1ccc2c(c1)O[C@@H](C)CC(=S)N2 ZINC000005330990 346189149 /nfs/dbraw/zinc/18/91/49/346189149.db2.gz QXELYVQGFQCLCB-QMMMGPOBSA-N 0 0 207.298 2.905 50 0 BFAARN O=C(CNc1ccccc1F)Nc1ccccc1 ZINC000005453223 346229653 /nfs/dbraw/zinc/22/96/53/346229653.db2.gz YLLVZIHUULVIRF-UHFFFAOYSA-N 0 0 244.269 2.876 50 0 BFAARN Cc1[nH]c(=O)c2ccccc2c1Br ZINC000167484937 346254346 /nfs/dbraw/zinc/25/43/46/346254346.db2.gz BRTYLKAHWKHBBI-UHFFFAOYSA-N 0 0 238.084 2.599 50 0 BFAARN Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2C)n1 ZINC000024449515 179024768 /nfs/dbraw/zinc/02/47/68/179024768.db2.gz TXRSGYURZUTBES-JQWIXIFHSA-N 0 0 232.327 2.699 50 0 BFAARN c1coc(-c2nc3c4ccccc4ncn3n2)c1 ZINC000034412017 346267696 /nfs/dbraw/zinc/26/76/96/346267696.db2.gz RRXBCWBQZQMUBM-UHFFFAOYSA-N 0 0 236.234 2.538 50 0 BFAARN Cc1csc(CNC(=O)c2cccc(C)c2)n1 ZINC000012997967 179019986 /nfs/dbraw/zinc/01/99/86/179019986.db2.gz IVRUWPNDFVCLOA-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN Cc1cccc(C(=O)NCc2ccccc2)c1O ZINC000005943064 179020228 /nfs/dbraw/zinc/02/02/28/179020228.db2.gz JJZJBFFXFHKIBB-UHFFFAOYSA-N 0 0 241.290 2.631 50 0 BFAARN Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2C)n1 ZINC000024449520 179020523 /nfs/dbraw/zinc/02/05/23/179020523.db2.gz TXRSGYURZUTBES-ZYHUDNBSSA-N 0 0 232.327 2.699 50 0 BFAARN Cc1cccc(C(=O)c2ccccc2F)n1 ZINC000045028469 179027001 /nfs/dbraw/zinc/02/70/01/179027001.db2.gz MWBGZFAHPHZNHA-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN Cc1cccc(C(=O)c2cc(F)ccc2F)n1 ZINC000045028502 179027297 /nfs/dbraw/zinc/02/72/97/179027297.db2.gz AZRKEEFAJNDUOD-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1cccc(C(=O)c2c(F)cccc2F)n1 ZINC000045028503 179027537 /nfs/dbraw/zinc/02/75/37/179027537.db2.gz WAJMTJBEXIZEET-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1c(C(=O)Nc2c(C)cccc2C)cnn1C ZINC000001002177 179044144 /nfs/dbraw/zinc/04/41/44/179044144.db2.gz TWUAXQYSHDVOIZ-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN Cc1cccc(C)c1OCCSc1nc[nH]n1 ZINC000008231655 179046813 /nfs/dbraw/zinc/04/68/13/179046813.db2.gz IBLKZOKPWRGMAZ-UHFFFAOYSA-N 0 0 249.339 2.593 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1ccccc1F ZINC000000137456 346401281 /nfs/dbraw/zinc/40/12/81/346401281.db2.gz HIINMZWFGXOQJA-MRVPVSSYSA-N 0 0 210.252 2.746 50 0 BFAARN CCc1cc(=O)oc2c(C)c(OC)ccc12 ZINC000000186413 346402049 /nfs/dbraw/zinc/40/20/49/346402049.db2.gz XZWGMKAUYXISLI-UHFFFAOYSA-N 0 0 218.252 2.672 50 0 biogenic BFAARN Cn1c2ccccc2nc1-c1ccncc1 ZINC000000283832 346406383 /nfs/dbraw/zinc/40/63/83/346406383.db2.gz JFHRYURGMJNMJG-UHFFFAOYSA-N 0 0 209.252 2.635 50 0 BFAARN CSc1ccccc1C(=O)NC(C)(C)C ZINC000000582881 346420476 /nfs/dbraw/zinc/42/04/76/346420476.db2.gz KCEZCTGOCYYSSX-UHFFFAOYSA-N 0 0 223.341 2.937 50 0 BFAARN CC(C)n1[nH]c(-c2ccccc2)cc1=N ZINC000101901159 537979362 /nfs/dbraw/zinc/97/93/62/537979362.db2.gz YUYZLKVQFWNIRL-UHFFFAOYSA-N 0 0 201.273 2.544 50 0 BFAARN Cc1cccc(Cl)c1OCCn1ccnc1 ZINC000000431678 179107505 /nfs/dbraw/zinc/10/75/05/179107505.db2.gz XZWFHEUUFIGTOL-UHFFFAOYSA-N 0 0 236.702 2.924 50 0 BFAARN Cc1ncccc1-c1c(F)cncc1F ZINC000669379914 537982208 /nfs/dbraw/zinc/98/22/08/537982208.db2.gz IMLZMAUXYHWCMT-UHFFFAOYSA-N 0 0 206.195 2.730 50 0 BFAARN CCCC(=O)N[C@H]1CCC[C@@H]1SCC ZINC000096450666 168559139 /nfs/dbraw/zinc/55/91/39/168559139.db2.gz KSALHUBUULOPBW-UWVGGRQHSA-N 0 0 215.362 2.577 50 0 BFAARN CCCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000040456248 168559640 /nfs/dbraw/zinc/55/96/40/168559640.db2.gz JCGFZKPXJZWTQQ-SECBINFHSA-N 0 0 209.264 2.803 50 0 BFAARN Cc1cccc(N)c1S[C@H]1CCCC[C@H]1O ZINC000004082660 179121201 /nfs/dbraw/zinc/12/12/01/179121201.db2.gz LJGIJNFBHPWGCW-NEPJUHHUSA-N 0 0 237.368 2.973 50 0 BFAARN CCCC1N=NC(=S)N1c1ccccc1C ZINC000006391576 346612207 /nfs/dbraw/zinc/61/22/07/346612207.db2.gz IZDNVVLLUMIUNE-UHFFFAOYSA-N 0 0 233.340 2.817 50 0 BFAARN Cc1cccc(NC(=O)N2CCCC2)c1 ZINC000004840665 179131231 /nfs/dbraw/zinc/13/12/31/179131231.db2.gz GBAXIZXGDZHLTH-UHFFFAOYSA-N 0 0 204.273 2.623 50 0 in-vitro BFAARN Cc1cccc(NC(=O)NCc2cccs2)n1 ZINC000097109188 179134081 /nfs/dbraw/zinc/13/40/81/179134081.db2.gz SCKFOSVVQCMQNE-UHFFFAOYSA-N 0 0 247.323 2.773 50 0 BFAARN Cc1nc(C(=O)Nc2cccc(C)c2)co1 ZINC000022606322 179142817 /nfs/dbraw/zinc/14/28/17/179142817.db2.gz WPODORVQSXGKMQ-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN CONC(=O)N(Cc1ccc(C)s1)C(C)C ZINC000167067301 346697031 /nfs/dbraw/zinc/69/70/31/346697031.db2.gz KROVSMSLYNBUPV-UHFFFAOYSA-N 0 0 242.344 2.538 50 0 BFAARN CCCC(=O)Nc1ccc2ccccc2n1 ZINC000032731944 168564349 /nfs/dbraw/zinc/56/43/49/168564349.db2.gz AUGVANPBWQRQIN-UHFFFAOYSA-N 0 0 214.268 2.973 50 0 BFAARN CCCC(=O)Nc1cccc2cccnc21 ZINC000000556452 168565612 /nfs/dbraw/zinc/56/56/12/168565612.db2.gz BNNNWQPSVSXNND-UHFFFAOYSA-N 0 0 214.268 2.973 50 0 BFAARN CS[C@H](C)C(=O)Nc1ccccc1F ZINC000042795323 347111502 /nfs/dbraw/zinc/11/15/02/347111502.db2.gz UZRMKVDSRIBDIS-SSDOTTSWSA-N 0 0 213.277 2.516 50 0 BFAARN Cc1cccc(OC(=O)c2ccncc2)c1C ZINC000000363992 179162468 /nfs/dbraw/zinc/16/24/68/179162468.db2.gz MTNVEZQLODCNBV-UHFFFAOYSA-N 0 0 227.263 2.918 50 0 BFAARN Cc1cccc(O[C@@H](C)C(=O)N2CCCC2)c1C ZINC000012928354 179174046 /nfs/dbraw/zinc/17/40/46/179174046.db2.gz OSWHCUAQMODDJJ-ZDUSSCGKSA-N 0 0 247.338 2.693 50 0 BFAARN Cc1cccc(O[C@@H](C)c2n[nH]c(=S)n2C)c1 ZINC000002522215 179174678 /nfs/dbraw/zinc/17/46/78/179174678.db2.gz NLTQFKRQWMFDAF-VIFPVBQESA-N 0 0 249.339 2.926 50 0 BFAARN Cc1cccc(S[C@@H]2CCCCNC2=O)c1 ZINC000049372986 179177367 /nfs/dbraw/zinc/17/73/67/179177367.db2.gz UYTJZKKDGRVAII-GFCCVEGCSA-N 0 0 235.352 2.756 50 0 BFAARN CCc1ccc(C(=O)Nc2ccncc2)s1 ZINC000016604862 347195765 /nfs/dbraw/zinc/19/57/65/347195765.db2.gz JUOOUWPXPUDIDM-UHFFFAOYSA-N 0 0 232.308 2.958 50 0 BFAARN C=CCOc1ccccc1/C=C1\C(=O)ON=C1C ZINC000013601920 362789262 /nfs/dbraw/zinc/78/92/62/362789262.db2.gz REAUHPQBEWXBLD-XFXZXTDPSA-N 0 0 243.262 2.568 50 0 BFAARN CC[C@@H](C)NC(=O)NCCC1=CCCCC1 ZINC000013745680 362801535 /nfs/dbraw/zinc/80/15/35/362801535.db2.gz PLRHCOCIERDVGO-LLVKDONJSA-N 0 0 224.348 2.975 50 0 BFAARN Cc1cccc2c1nc(-c1cccnc1)oc2=O ZINC000012421345 179207806 /nfs/dbraw/zinc/20/78/06/179207806.db2.gz UAHVVVIBOPTVFX-UHFFFAOYSA-N 0 0 238.246 2.558 50 0 BFAARN Cc1ccccc1-c1nc(-c2cnccn2)no1 ZINC000084511513 179236427 /nfs/dbraw/zinc/23/64/27/179236427.db2.gz YWIMMQZWVZHXRX-UHFFFAOYSA-N 0 0 238.250 2.502 50 0 BFAARN Cc1cccc2nc(-c3ccco3)oc(=O)c12 ZINC000000152194 179228492 /nfs/dbraw/zinc/22/84/92/179228492.db2.gz HUIKNHXZBHSIGT-UHFFFAOYSA-N 0 0 227.219 2.756 50 0 BFAARN Cc1ccccc1-n1nc2c(c1N)CSC2 ZINC000002454961 179242240 /nfs/dbraw/zinc/24/22/40/179242240.db2.gz GUZZOSZDSLADJY-UHFFFAOYSA-N 0 0 231.324 2.510 50 0 BFAARN CC(C)(C)C(=O)N[C@@H]1CCc2ccccc21 ZINC000012886538 347474345 /nfs/dbraw/zinc/47/43/45/347474345.db2.gz ZPEJOGQZFKOPDL-GFCCVEGCSA-N 0 0 217.312 2.836 50 0 BFAARN Cc1occc1C(=O)NCC1CCCCC1 ZINC000012916910 347475165 /nfs/dbraw/zinc/47/51/65/347475165.db2.gz RHNBYEBTVKRBDS-UHFFFAOYSA-N 0 0 221.300 2.898 50 0 BFAARN Cc1ccccc1C(=O)Nc1cccnc1C ZINC000073347580 179252097 /nfs/dbraw/zinc/25/20/97/179252097.db2.gz YLCUQJNCKKFHKT-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1ccccc1C(=O)Nc1ccc(O)cc1 ZINC000000362852 179252173 /nfs/dbraw/zinc/25/21/73/179252173.db2.gz OGBLLVHAQZADRR-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN Cc1ccccc1CC(=O)NC1CCCC1 ZINC000006727227 179257345 /nfs/dbraw/zinc/25/73/45/179257345.db2.gz NCXJEFOMDCSWEY-UHFFFAOYSA-N 0 0 217.312 2.596 50 0 BFAARN COc1cccc(/C=C/c2ccncn2)c1F ZINC000195503080 347638476 /nfs/dbraw/zinc/63/84/76/347638476.db2.gz WJEUFJOSIREAOG-AATRIKPKSA-N 0 0 230.242 2.795 50 0 BFAARN Cc1cccc(C)c1C(=O)Nc1ccncc1O ZINC000195557069 347641193 /nfs/dbraw/zinc/64/11/93/347641193.db2.gz SSFZLPBFMRRFOW-UHFFFAOYSA-N 0 0 242.278 2.656 50 0 BFAARN CC(C)=CCOC(=O)c1ccnn1C(C)C ZINC000195549693 347641199 /nfs/dbraw/zinc/64/11/99/347641199.db2.gz KASIKELEXBUJGP-UHFFFAOYSA-N 0 0 222.288 2.587 50 0 BFAARN C[C@H](CCn1cccn1)OCc1ccccc1 ZINC000195578309 347648398 /nfs/dbraw/zinc/64/83/98/347648398.db2.gz OJRJWYXKHQGWKX-CYBMUJFWSA-N 0 0 230.311 2.879 50 0 BFAARN Cc1n[nH]c(C)c1[C@H](C)c1nc(C(C)C)no1 ZINC000195578676 347648426 /nfs/dbraw/zinc/64/84/26/347648426.db2.gz QXIBARIUKMOWPV-ZETCQYMHSA-N 0 0 234.303 2.685 50 0 BFAARN CC(C)CCc1cc(NC(=O)c2ccoc2)n[nH]1 ZINC000195577532 347648564 /nfs/dbraw/zinc/64/85/64/347648564.db2.gz JLYDIMFBICTVBX-UHFFFAOYSA-N 0 0 247.298 2.844 50 0 BFAARN CC(C)=C[C@H](C)OC(=O)c1cccnc1 ZINC000195577076 347648569 /nfs/dbraw/zinc/64/85/69/347648569.db2.gz ZYSSQYWVAVMPCB-JTQLQIEISA-N 0 0 205.257 2.593 50 0 BFAARN Cc1ccccc1CNC(=O)c1cccc(O)c1 ZINC000012974082 179280768 /nfs/dbraw/zinc/28/07/68/179280768.db2.gz CLVNZPSFHZOJGB-UHFFFAOYSA-N 0 0 241.290 2.631 50 0 BFAARN CC(C)C[C@@H](N)c1nc2ccccc2o1 ZINC000004207323 537992123 /nfs/dbraw/zinc/99/21/23/537992123.db2.gz YOZFIGMCBNHOJT-SECBINFHSA-N 0 0 204.273 2.874 50 0 BFAARN Cc1ccccc1CNC(=O)C1CCCC1 ZINC000032678661 179278119 /nfs/dbraw/zinc/27/81/19/179278119.db2.gz CLCFVDKMUWDHEU-UHFFFAOYSA-N 0 0 217.312 2.801 50 0 BFAARN Cc1ccccc1CNC(=O)Cc1cccs1 ZINC000005134849 179278779 /nfs/dbraw/zinc/27/87/79/179278779.db2.gz NDLIYRZNDMHSAJ-UHFFFAOYSA-N 0 0 245.347 2.915 50 0 BFAARN Cc1ccccc1Cc1cnc(N)s1 ZINC000021953082 179293458 /nfs/dbraw/zinc/29/34/58/179293458.db2.gz HVBQNABRJKMLAU-UHFFFAOYSA-N 0 0 204.298 2.625 50 0 BFAARN Cc1ccccc1NC(=O)C[C@H](C)n1ccnc1 ZINC000021917344 179299260 /nfs/dbraw/zinc/29/92/60/179299260.db2.gz PVFAQGNPKDZRFU-LBPRGKRZSA-N 0 0 243.310 2.781 50 0 BFAARN Cc1nc[nH]c1CNc1ccccc1C ZINC000000756985 179306129 /nfs/dbraw/zinc/30/61/29/179306129.db2.gz DTIHDXQMWDKHHI-UHFFFAOYSA-N 0 0 201.273 2.639 50 0 BFAARN Cc1ccccc1Nc1nc(CO)cs1 ZINC000021951930 179307834 /nfs/dbraw/zinc/30/78/34/179307834.db2.gz ZRPFGTBLFUUFDU-UHFFFAOYSA-N 0 0 220.297 2.687 50 0 BFAARN Cc1ccccc1NC1N=NC(=S)S1 ZINC000001082178 179308034 /nfs/dbraw/zinc/30/80/34/179308034.db2.gz KWWBRNIJHGTCDA-UHFFFAOYSA-N 0 0 223.326 2.879 50 0 BFAARN Cc1ccccc1O[C@H](C)C(=O)NCC(C)C ZINC000000364753 179312492 /nfs/dbraw/zinc/31/24/92/179312492.db2.gz PIFSDKQPFKPPJF-GFCCVEGCSA-N 0 0 235.327 2.535 50 0 BFAARN Cc1ccccc1O[C@H](C)C(=O)NC1CCCC1 ZINC000001067028 179312972 /nfs/dbraw/zinc/31/29/72/179312972.db2.gz JQJQITAXSYCQJD-GFCCVEGCSA-N 0 0 247.338 2.821 50 0 BFAARN Cc1ccccc1[C@@H](C)NC(=O)C(C)C ZINC000042162515 179319649 /nfs/dbraw/zinc/31/96/49/179319649.db2.gz ISEUQNJOLAKDIS-LLVKDONJSA-N 0 0 205.301 2.828 50 0 BFAARN Cc1ccccc1[C@@H]1CN(C(=O)C(C)C)CCO1 ZINC000041395311 179330083 /nfs/dbraw/zinc/33/00/83/179330083.db2.gz HZXKSVHWNHYORE-AWEZNQCLSA-N 0 0 247.338 2.551 50 0 BFAARN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+]([C@@H](C)C(=O)[O-])C1 ZINC000237545537 179332062 /nfs/dbraw/zinc/33/20/62/179332062.db2.gz ISUZEUDDYACWPR-RWMBFGLXSA-N 0 0 247.338 2.646 50 0 BFAARN Oc1cncc2c(Br)cccc12 ZINC000220446275 348068087 /nfs/dbraw/zinc/06/80/87/348068087.db2.gz IURMCZMKZBTSLW-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Cc1cccn(Cc2cccc(Cl)c2)c1=O ZINC000069740625 179352107 /nfs/dbraw/zinc/35/21/07/179352107.db2.gz MATGISZNXOKLFF-UHFFFAOYSA-N 0 0 233.698 2.858 50 0 BFAARN Cc1cccn(C/C=C\c2ccccc2)c1=O ZINC000102541605 179352250 /nfs/dbraw/zinc/35/22/50/179352250.db2.gz PUHVRNWPBKPUDZ-POHAHGRESA-N 0 0 225.291 2.870 50 0 BFAARN Cc1cccn(C[C@@H]2CCCC2(F)F)c1=O ZINC000334570411 179352405 /nfs/dbraw/zinc/35/24/05/179352405.db2.gz VUOPQPFWXYZONX-JTQLQIEISA-N 0 0 227.254 2.592 50 0 BFAARN CC[C@]1(C(=O)OC)O[C@]1(C)C1CCCCC1 ZINC000669382216 537999675 /nfs/dbraw/zinc/99/96/75/537999675.db2.gz BSXVWPOBRGBAOH-CHWSQXEVSA-N 0 0 226.316 2.677 50 0 BFAARN CCCc1c(Cl)nc2cc(C)ccn2c1=O ZINC000725245519 537999890 /nfs/dbraw/zinc/99/98/90/537999890.db2.gz ULWJBUZSQCCCGS-UHFFFAOYSA-N 0 0 236.702 2.609 50 0 BFAARN CSc1ncc2c(n1)[nH]c1ccccc12 ZINC000000341601 187391557 /nfs/dbraw/zinc/39/15/57/187391557.db2.gz MYQCYTHYRLABHQ-UHFFFAOYSA-N 0 0 215.281 2.833 50 0 BFAARN Cc1cccnc1NC(=O)CCc1ccccc1 ZINC000000369217 179389035 /nfs/dbraw/zinc/38/90/35/179389035.db2.gz TZOYHBKRJBYQNF-UHFFFAOYSA-N 0 0 240.306 2.961 50 0 BFAARN Cc1ccn(-c2ccc(O)c(-c3ccno3)c2)n1 ZINC000065385542 179398733 /nfs/dbraw/zinc/39/87/33/179398733.db2.gz UYDFMOHDOQQVGI-UHFFFAOYSA-N 0 0 241.250 2.541 50 0 BFAARN Cc1ccnc(NC(=O)[C@@H]2CC=CCC2)c1 ZINC000012536809 179437883 /nfs/dbraw/zinc/43/78/83/179437883.db2.gz PEFQYUDKMVVEEY-LLVKDONJSA-N 0 0 216.284 2.685 50 0 BFAARN Cc1cn2cc(-c3cccc(N)c3)nc2s1 ZINC000019767213 179565930 /nfs/dbraw/zinc/56/59/30/179565930.db2.gz YOFIWWDWLPAJBB-UHFFFAOYSA-N 0 0 229.308 2.953 50 0 BFAARN Cc1cnc(Nc2cccc(O)c2)s1 ZINC000036241783 179643528 /nfs/dbraw/zinc/64/35/28/179643528.db2.gz CNBIXXQQXGANHS-UHFFFAOYSA-N 0 0 206.270 2.901 50 0 BFAARN Cc1cnc(Cl)c(Br)c1 ZINC000000332253 179616990 /nfs/dbraw/zinc/61/69/90/179616990.db2.gz ISNRJFOYJNIKTN-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN CCC1CCC2(CC1)O[C@]2(CC)C(=O)OC ZINC000669383592 538012471 /nfs/dbraw/zinc/01/24/71/538012471.db2.gz SWTNQJUQLNBYTR-KGPNIALWSA-N 0 0 226.316 2.677 50 0 BFAARN COc1ccc(CC(=O)NC2CCCCC2)cc1 ZINC000000142289 187407248 /nfs/dbraw/zinc/40/72/48/187407248.db2.gz OUQSDJMKYLLVED-UHFFFAOYSA-N 0 0 247.338 2.687 50 0 in-vivo BFAARN O=C(NCc1ccc(Cl)cc1)c1ccncc1 ZINC000000290761 187408210 /nfs/dbraw/zinc/40/82/10/187408210.db2.gz HPXZHPZIXRIFSJ-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN Cc1ccc(CNC(=O)Nc2ccccn2)s1 ZINC000045700015 187434452 /nfs/dbraw/zinc/43/44/52/187434452.db2.gz PUYZSYRLBZGGEO-UHFFFAOYSA-N 0 0 247.323 2.773 50 0 BFAARN Cc1c(N)n[nH]c1-c1ccccc1Cl ZINC000021948213 190982595 /nfs/dbraw/zinc/98/25/95/190982595.db2.gz BSPOJAQHGZEBAS-UHFFFAOYSA-N 0 0 207.664 2.621 50 0 BFAARN Cc1nc(C(F)(F)F)nc(Cl)c1C ZINC000000166498 179897072 /nfs/dbraw/zinc/89/70/72/179897072.db2.gz QKXBEKRDGUZIFQ-UHFFFAOYSA-N 0 0 210.586 2.766 50 0 BFAARN Cc1nc(C)c(COc2ccccc2CO)s1 ZINC000089129244 179914355 /nfs/dbraw/zinc/91/43/55/179914355.db2.gz PYJYLRXSKAJUTN-UHFFFAOYSA-N 0 0 249.335 2.831 50 0 BFAARN Cc1nc(C)n(CCCc2ccccc2C)n1 ZINC000084235710 179921381 /nfs/dbraw/zinc/92/13/81/179921381.db2.gz QJYBHRNDUBNUTC-UHFFFAOYSA-N 0 0 229.327 2.836 50 0 BFAARN F[C@@H](C(F)(F)F)C(F)(F)Br ZINC000063146300 191001259 /nfs/dbraw/zinc/00/12/59/191001259.db2.gz UBSZSCBAJXCXOO-PVQJCKRUSA-N 0 0 230.933 2.875 50 0 BFAARN OCCCCc1cccc(Br)c1 ZINC000070769918 191003599 /nfs/dbraw/zinc/00/35/99/191003599.db2.gz RUJHXULZDUAFOT-UHFFFAOYSA-N 0 0 229.117 2.764 50 0 BFAARN COc1cc(CNc2ccncc2Cl)ccn1 ZINC000094195510 191009193 /nfs/dbraw/zinc/00/91/93/191009193.db2.gz FKEXSAFYHRXTPA-UHFFFAOYSA-N 0 0 249.701 2.751 50 0 BFAARN Cc1nc([C@@H]2CCCN2c2cnccn2)cs1 ZINC000275066578 180045801 /nfs/dbraw/zinc/04/58/01/180045801.db2.gz XXGBWEHSRWVVGS-NSHDSACASA-N 0 0 246.339 2.583 50 0 BFAARN Cc1nc2c(cccc2Br)o1 ZINC000095944452 180058570 /nfs/dbraw/zinc/05/85/70/180058570.db2.gz PCDOABUEJUJMKB-UHFFFAOYSA-N 0 0 212.046 2.899 50 0 BFAARN CC(=O)NCCCc1cc2ccccc2o1 ZINC000390831097 350129734 /nfs/dbraw/zinc/12/97/34/350129734.db2.gz POVRPBFLLYPSMN-UHFFFAOYSA-N 0 0 217.268 2.502 50 0 BFAARN Cc1nc2ccc(NC(=O)N3CCCC3)cc2o1 ZINC000078261702 180094796 /nfs/dbraw/zinc/09/47/96/180094796.db2.gz WHIPGVWNFIBDPC-UHFFFAOYSA-N 0 0 245.282 2.764 50 0 BFAARN CC(C)Cn1nccc1N[C@@H]1CCCSC1 ZINC000134824464 191043029 /nfs/dbraw/zinc/04/30/29/191043029.db2.gz UHOIPULLMVWJQU-LLVKDONJSA-N 0 0 239.388 2.847 50 0 BFAARN O=C(C[C@@H]1CCc2ccccc21)N1CCCC1 ZINC000089858076 362951067 /nfs/dbraw/zinc/95/10/67/362951067.db2.gz XBAPVZTXDSUQAJ-ZDUSSCGKSA-N 0 0 229.323 2.729 50 0 BFAARN Cc1nc2ccccc2nc1CSC[C@@H](C)O ZINC000298323740 180103057 /nfs/dbraw/zinc/10/30/57/180103057.db2.gz RNZCVQLVWHXKNJ-SECBINFHSA-N 0 0 248.351 2.552 50 0 BFAARN Cc1nc[nH]c1CNc1ccc2c(c1)CCC2 ZINC000023282687 180121016 /nfs/dbraw/zinc/12/10/16/180121016.db2.gz NENZBBQCTZTAAR-UHFFFAOYSA-N 0 0 227.311 2.819 50 0 BFAARN Cc1ncc(C[S@@](=O)CC2CCCC2)s1 ZINC000097033788 180162513 /nfs/dbraw/zinc/16/25/13/180162513.db2.gz SREDDYJEZIFFBQ-OAHLLOKOSA-N 0 0 243.397 2.890 50 0 BFAARN CCOc1ccccc1/C=C(/C)[N+](=O)[O-] ZINC000032168199 350188358 /nfs/dbraw/zinc/18/83/58/350188358.db2.gz PQACPGNUJJIEOZ-HJWRWDBZSA-N 0 0 207.229 2.723 50 0 BFAARN CC(Nc1ccc(Cl)cc1)=C1CCOC1=O ZINC000100094995 191062107 /nfs/dbraw/zinc/06/21/07/191062107.db2.gz LMTZKNFOUSGOPO-DHZHZOJOSA-N 0 0 237.686 2.973 50 0 BFAARN Cc1ncccc1OCc1noc(CC(C)C)n1 ZINC000097082606 180228337 /nfs/dbraw/zinc/22/83/37/180228337.db2.gz UDROHGRMRVWHRG-UHFFFAOYSA-N 0 0 247.298 2.551 50 0 BFAARN Cc1ccc(NC(=O)NCC(F)F)c(F)c1 ZINC000072499700 187442289 /nfs/dbraw/zinc/44/22/89/187442289.db2.gz HSTZZVNRPXEIJR-UHFFFAOYSA-N 0 0 232.205 2.521 50 0 BFAARN c1nc2c(ncnc2S[C@H]2C=CCCC2)[nH]1 ZINC000071910983 187442599 /nfs/dbraw/zinc/44/25/99/187442599.db2.gz DPABBAXHFFWIPI-QMMMGPOBSA-N 0 0 232.312 2.554 50 0 BFAARN CCc1ccc(C(=O)OC)cc1Br ZINC000034173620 350257502 /nfs/dbraw/zinc/25/75/02/350257502.db2.gz WSYKXUBTLUYUSD-UHFFFAOYSA-N 0 0 243.100 2.798 50 0 BFAARN Cc1nccn1CCOc1ccc(Cl)cc1 ZINC000000462045 180263262 /nfs/dbraw/zinc/26/32/62/180263262.db2.gz SNVRUWNTTJNUOM-UHFFFAOYSA-N 0 0 236.702 2.924 50 0 BFAARN Cc1cc(C)nc(-c2ccccc2N(C)C)n1 ZINC000426504480 191094111 /nfs/dbraw/zinc/09/41/11/191094111.db2.gz MIWPOWLFQOMVKO-UHFFFAOYSA-N 0 0 227.311 2.826 50 0 BFAARN Cc1ccc(C=O)c(OCC(F)(F)F)c1 ZINC000601014311 350329910 /nfs/dbraw/zinc/32/99/10/350329910.db2.gz QBBOCZUVCBWMRS-UHFFFAOYSA-N 0 0 218.174 2.749 50 0 BFAARN CCCc1nnc(-c2cccnc2OCC)s1 ZINC000426538082 191095918 /nfs/dbraw/zinc/09/59/18/191095918.db2.gz KIJKCAYEULIEAT-UHFFFAOYSA-N 0 0 249.339 2.951 50 0 BFAARN COC(COc1ccc(C(C)C)cc1)OC ZINC000000402282 350332330 /nfs/dbraw/zinc/33/23/30/350332330.db2.gz MQINCUIGBPXDQH-UHFFFAOYSA-N 0 0 224.300 2.808 50 0 BFAARN Cc1ccc([C@H](O)C(=O)c2ccccc2)cc1 ZINC000000393403 350332382 /nfs/dbraw/zinc/33/23/82/350332382.db2.gz ZCXVYFZJKVHMJO-HNNXBMFYSA-N 0 0 226.275 2.911 50 0 BFAARN CSc1snnc1-c1ccccc1 ZINC000001385733 350393162 /nfs/dbraw/zinc/39/31/62/350393162.db2.gz NQXUDOSPNARBTA-UHFFFAOYSA-N 0 0 208.311 2.927 50 0 BFAARN Cc1nn(C)c2nc(Cl)cc(C(F)(F)F)c12 ZINC000012336538 180364050 /nfs/dbraw/zinc/36/40/50/180364050.db2.gz PSWVWFKPBJPTBW-UHFFFAOYSA-N 0 0 249.623 2.949 50 0 BFAARN Cc1nnc(-c2ccc(Br)cc2)o1 ZINC000012370677 180394776 /nfs/dbraw/zinc/39/47/76/180394776.db2.gz PQSCYRJMPVYVKU-UHFFFAOYSA-N 0 0 239.072 2.808 50 0 BFAARN CC(C)(c1ccccc1)[C@H](O)C(F)(F)F ZINC000088613812 187453518 /nfs/dbraw/zinc/45/35/18/187453518.db2.gz XZILUZJKXAMLBD-VIFPVBQESA-N 0 0 218.218 2.887 50 0 BFAARN Cc1noc(C)c1COC(=O)c1ccccc1F ZINC000003378810 180475046 /nfs/dbraw/zinc/47/50/46/180475046.db2.gz KFHMUSXRPGQKOQ-UHFFFAOYSA-N 0 0 249.241 2.788 50 0 BFAARN COc1ccccc1NC(=O)C1CCCC1 ZINC000000373837 191117278 /nfs/dbraw/zinc/11/72/78/191117278.db2.gz BQRKZXVNSVLWDQ-UHFFFAOYSA-N 0 0 219.284 2.824 50 0 BFAARN C=CC(=O)N(CC1CCCCC1)C1CC1 ZINC000037832634 187463175 /nfs/dbraw/zinc/46/31/75/187463175.db2.gz GYJBQUDHSBBXIW-UHFFFAOYSA-N 0 0 207.317 2.744 50 0 BFAARN Cc1noc(COc2ccc(F)cc2Cl)n1 ZINC000040049331 180490545 /nfs/dbraw/zinc/49/05/45/180490545.db2.gz ADNMTDFHDUTAMG-UHFFFAOYSA-N 0 0 242.637 2.750 50 0 BFAARN Cc1noc(CCCNc2ccccc2C)n1 ZINC000084244264 180483087 /nfs/dbraw/zinc/48/30/87/180483087.db2.gz QDSUPZNIHNEEID-UHFFFAOYSA-N 0 0 231.299 2.731 50 0 BFAARN C/C=C/C=C/C(=O)N[C@@H]1CCC[C@H]1SCC ZINC000104206840 191119018 /nfs/dbraw/zinc/11/90/18/191119018.db2.gz ZOZDWJYAVDBLRD-ZAKFJMKLSA-N 0 0 239.384 2.909 50 0 BFAARN CCOc1ccc(NC(=O)N(CC)CC)cc1 ZINC000004834686 350760744 /nfs/dbraw/zinc/76/07/44/350760744.db2.gz VMWSLMQVVBHWMV-UHFFFAOYSA-N 0 0 236.315 2.959 50 0 BFAARN Cc1cccc(NC(=S)NCC(C)C)c1 ZINC000004685190 191121179 /nfs/dbraw/zinc/12/11/79/191121179.db2.gz BSJGGXQIKDSAKI-UHFFFAOYSA-N 0 0 222.357 2.937 50 0 BFAARN Cc1ccc(C(=O)NC(C)(C)C)cc1C ZINC000005546694 191123045 /nfs/dbraw/zinc/12/30/45/191123045.db2.gz MDJIKUCDMQTTEX-UHFFFAOYSA-N 0 0 205.301 2.832 50 0 BFAARN CC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000001024983 187471172 /nfs/dbraw/zinc/47/11/72/187471172.db2.gz WZOZPCJITYSPQU-UHFFFAOYSA-N 0 0 235.230 2.782 50 0 BFAARN CCC(=O)c1cc(Br)cc(F)c1O ZINC000052068476 350901873 /nfs/dbraw/zinc/90/18/73/350901873.db2.gz XSUDZPZKGXGDJV-UHFFFAOYSA-N 0 0 247.063 2.887 50 0 BFAARN CCCC(=O)c1cc(F)cc(F)c1O ZINC000052068538 350901937 /nfs/dbraw/zinc/90/19/37/350901937.db2.gz TXBNQIXKCLSBIB-UHFFFAOYSA-N 0 0 200.184 2.653 50 0 BFAARN Cc1oc(C(C)(C)C)cc1-c1cc(N)n(C)n1 ZINC000000113605 180530194 /nfs/dbraw/zinc/53/01/94/180530194.db2.gz DIRNIDOLAUITSX-UHFFFAOYSA-N 0 0 233.315 2.868 50 0 BFAARN Cc1occc1C(=O)NCCc1ccc(F)cc1 ZINC000012978139 180537315 /nfs/dbraw/zinc/53/73/15/180537315.db2.gz ROIXTUBZNXFESD-UHFFFAOYSA-N 0 0 247.269 2.700 50 0 BFAARN Cc1scc(C(=O)NCc2ccco2)c1C ZINC000013328590 180561107 /nfs/dbraw/zinc/56/11/07/180561107.db2.gz XQLGSYYIRXLZLK-UHFFFAOYSA-N 0 0 235.308 2.888 50 0 BFAARN CCCCOc1c(F)cc(O)cc1F ZINC000261493673 351119429 /nfs/dbraw/zinc/11/94/29/351119429.db2.gz GVIAVDHMDMJERU-UHFFFAOYSA-N 0 0 202.200 2.849 50 0 BFAARN Cc1sc(N)nc1-c1ccc(F)cc1 ZINC000001009200 180558391 /nfs/dbraw/zinc/55/83/91/180558391.db2.gz KPOAMSWZRRKBHN-UHFFFAOYSA-N 0 0 208.261 2.840 50 0 BFAARN Cc1sc(N)c(C(=O)OC(C)C)c1C ZINC000002573212 180558471 /nfs/dbraw/zinc/55/84/71/180558471.db2.gz PXWXBFMFSLKMJA-UHFFFAOYSA-N 0 0 213.302 2.512 50 0 BFAARN CC(C)c1ccc(CSc2nc(N)n[nH]2)cc1 ZINC000005825706 351184652 /nfs/dbraw/zinc/18/46/52/351184652.db2.gz RUBXAHGZFNPQGJ-UHFFFAOYSA-N 0 0 248.355 2.803 50 0 BFAARN Clc1ccc(CSc2c[nH]nn2)s1 ZINC000097012140 180580522 /nfs/dbraw/zinc/58/05/22/180580522.db2.gz KMHXVINOXXKIEB-UHFFFAOYSA-N 0 0 231.733 2.812 50 0 BFAARN Clc1ccc(COn2ccnc2)cc1Cl ZINC000001387016 180580531 /nfs/dbraw/zinc/58/05/31/180580531.db2.gz CMSWWFMRQPERAA-UHFFFAOYSA-N 0 0 243.093 2.819 50 0 BFAARN CCCC[C@H](C)C(=O)N1CCC[C@H]2OCC[C@H]21 ZINC000225704499 191133078 /nfs/dbraw/zinc/13/30/78/191133078.db2.gz YGPNQFSSTFFSTA-YNEHKIRRSA-N 0 0 239.359 2.593 50 0 BFAARN Clc1ccc(CNc2ccon2)cc1 ZINC000083345596 180581065 /nfs/dbraw/zinc/58/10/65/180581065.db2.gz ULBZYGZNEJFQGM-UHFFFAOYSA-N 0 0 208.648 2.940 50 0 BFAARN CCOc1ccc2[nH]c3c(nc[nH]c3=S)c2c1 ZINC000005906844 351300137 /nfs/dbraw/zinc/30/01/37/351300137.db2.gz SLYKZVBDPIHHSP-UHFFFAOYSA-N 0 0 245.307 2.799 50 0 BFAARN C/C=C\C(=O)OCC(=O)c1cccc(Cl)c1 ZINC000006015886 351375526 /nfs/dbraw/zinc/37/55/26/351375526.db2.gz OJHZKIDMZOVLMB-RQOWECAXSA-N 0 0 238.670 2.642 50 0 BFAARN O=C1COc2ccccc2-c2ccccc21 ZINC000000405133 351797776 /nfs/dbraw/zinc/79/77/76/351797776.db2.gz KLESETVYNCDHFF-UHFFFAOYSA-N 0 0 210.232 2.929 50 0 BFAARN Cc1occc1C(=O)N(C)Cc1ccc(F)cc1 ZINC000032739259 187537129 /nfs/dbraw/zinc/53/71/29/187537129.db2.gz LJJNIPZHRCBALK-UHFFFAOYSA-N 0 0 247.269 2.999 50 0 BFAARN Cc1cc(Cl)ccc1NC(=O)N(C)C ZINC000000395213 187537918 /nfs/dbraw/zinc/53/79/18/187537918.db2.gz ZBRVGSVMRNBIQO-UHFFFAOYSA-N 0 0 212.680 2.742 50 0 BFAARN Cc1ccc(NC(=O)CC2CCCC2)nc1 ZINC000012526778 351899805 /nfs/dbraw/zinc/89/98/05/351899805.db2.gz DCWVVHSGKYTKPH-UHFFFAOYSA-N 0 0 218.300 2.909 50 0 BFAARN Cc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1C ZINC000003206587 351999972 /nfs/dbraw/zinc/99/99/72/351999972.db2.gz VBEMSQWLOQAKRE-ZDUSSCGKSA-N 0 0 248.326 2.604 50 0 BFAARN CCc1cnccc1[C@H](C)NCC(F)(F)F ZINC000240569323 363135577 /nfs/dbraw/zinc/13/55/77/363135577.db2.gz GZODPGWUSHWBGK-QMMMGPOBSA-N 0 0 232.249 2.857 50 0 BFAARN Cc1n[nH]cc1-c1cc(Cl)ccc1N ZINC000725271598 538103345 /nfs/dbraw/zinc/10/33/45/538103345.db2.gz IBADFLVLHOSLPS-UHFFFAOYSA-N 0 0 207.664 2.621 50 0 BFAARN C[C@@H](CC(=O)Nc1ccn(C)n1)c1ccccc1 ZINC000044871980 352470061 /nfs/dbraw/zinc/47/00/61/352470061.db2.gz DQZRZAWBEOFOMQ-NSHDSACASA-N 0 0 243.310 2.552 50 0 BFAARN C[C@H](CC(=O)Nc1ccn(C)n1)c1ccccc1 ZINC000044871985 352470160 /nfs/dbraw/zinc/47/01/60/352470160.db2.gz DQZRZAWBEOFOMQ-LLVKDONJSA-N 0 0 243.310 2.552 50 0 BFAARN Fc1cccc(Br)c1-c1cc[nH]n1 ZINC000725272391 538104298 /nfs/dbraw/zinc/10/42/98/538104298.db2.gz CRQYHJBASMAIIO-UHFFFAOYSA-N 0 0 241.063 2.978 50 0 BFAARN CCn1nccc1-c1nn(C)c2ccc(C)cc21 ZINC000534587261 352589277 /nfs/dbraw/zinc/58/92/77/352589277.db2.gz BLBANBOQAMLSAK-UHFFFAOYSA-N 0 0 240.310 2.765 50 0 BFAARN C=COCC(COC=C)(COC=C)COC=C ZINC000005170923 187757564 /nfs/dbraw/zinc/75/75/64/187757564.db2.gz XDWRKTULOHXYGN-UHFFFAOYSA-N 0 0 240.299 2.613 50 0 BFAARN CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000012971844 187760839 /nfs/dbraw/zinc/76/08/39/187760839.db2.gz YNVGFGBOIKZXSE-UHFFFAOYSA-N 0 0 235.617 2.900 50 0 BFAARN C/C=C/C=C\C(=O)N(C)Cc1ccc(OC)cc1 ZINC000078264558 187792916 /nfs/dbraw/zinc/79/29/16/187792916.db2.gz VBHAXRBJBQKJQH-DEQVHDEQSA-N 0 0 245.322 2.786 50 0 BFAARN Clc1nc(Cl)c2c(n1)CCCS2 ZINC000039593160 187773780 /nfs/dbraw/zinc/77/37/80/187773780.db2.gz HIKOVOQFJFSCLL-UHFFFAOYSA-N 0 0 221.112 2.822 50 0 BFAARN C=COCCOC(=O)c1ccc2ccccc2n1 ZINC000097113107 187802177 /nfs/dbraw/zinc/80/21/77/187802177.db2.gz LEMJCVHSZXEYHC-UHFFFAOYSA-N 0 0 243.262 2.552 50 0 BFAARN CC(C)[C@H](C(N)=O)c1cccc(Cl)c1 ZINC000098018602 187802804 /nfs/dbraw/zinc/80/28/04/187802804.db2.gz KCFIRTVHGGNWBN-JTQLQIEISA-N 0 0 211.692 2.565 50 0 BFAARN CC1(C)OC(=O)C[C@@H]1C=C(Cl)Cl ZINC000004800347 187854118 /nfs/dbraw/zinc/85/41/18/187854118.db2.gz COKNOMNYGGDKQI-YFKPBYRVSA-N 0 0 209.072 2.647 50 0 BFAARN CC(C)(C)c1cc(NC(=O)c2ccoc2)n[nH]1 ZINC000048750649 188086277 /nfs/dbraw/zinc/08/62/77/188086277.db2.gz MYVGMKDICADXJN-UHFFFAOYSA-N 0 0 233.271 2.553 50 0 BFAARN CCOC(=O)c1ccccc1Br ZINC000000162646 188098860 /nfs/dbraw/zinc/09/88/60/188098860.db2.gz BIHHBTVQFPVSTE-UHFFFAOYSA-N 0 0 229.073 2.626 50 0 BFAARN Cc1cc(C)c(Br)c(C)c1N ZINC000000057055 188099151 /nfs/dbraw/zinc/09/91/51/188099151.db2.gz MVLMPTBHZPYDBZ-UHFFFAOYSA-N 0 0 214.106 2.957 50 0 BFAARN Cc1cccc([C@H]2Nc3ccccc3C(=O)N2)c1 ZINC000000410191 188099333 /nfs/dbraw/zinc/09/93/33/188099333.db2.gz IZRZUJFPYGNHRH-AWEZNQCLSA-N 0 0 238.290 2.849 50 0 BFAARN COc1ccccc1NC(=O)NC(C)(C)C ZINC000000395155 188099509 /nfs/dbraw/zinc/09/95/09/188099509.db2.gz ZPAJTYDANWPCMH-UHFFFAOYSA-N 0 0 222.288 2.615 50 0 BFAARN CC(=O)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000000472500 188099711 /nfs/dbraw/zinc/09/97/11/188099711.db2.gz RNAQYXPBRBVEBQ-UHFFFAOYSA-N 0 0 235.617 2.813 50 0 BFAARN Cc1ccc2cccc(NC(=O)C3CC3)c2n1 ZINC000000204948 188099779 /nfs/dbraw/zinc/09/97/79/188099779.db2.gz FXZOMSYCNIUMFO-UHFFFAOYSA-N 0 0 226.279 2.892 50 0 BFAARN CC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000000394018 188099975 /nfs/dbraw/zinc/09/99/75/188099975.db2.gz GHLHYKAEJJVFCI-UHFFFAOYSA-N 0 0 219.071 2.534 50 0 BFAARN CC(=O)Oc1c[nH]c2ccc(Cl)cc12 ZINC000002513957 188101073 /nfs/dbraw/zinc/10/10/73/188101073.db2.gz IFSSBGDLKMSHCW-UHFFFAOYSA-N 0 0 209.632 2.747 50 0 BFAARN Cc1ccccc1CC(=O)C(F)(F)F ZINC000002518005 188101118 /nfs/dbraw/zinc/10/11/18/188101118.db2.gz BFTDFOATGPZODW-UHFFFAOYSA-N 0 0 202.175 2.669 50 0 BFAARN COc1ccc(Cl)cc1NC(=O)NC1CC1 ZINC000006741208 188103016 /nfs/dbraw/zinc/10/30/16/188103016.db2.gz RTETVLJYMZJQLV-UHFFFAOYSA-N 0 0 240.690 2.633 50 0 BFAARN O=C1C/C(=C\c2ccccc2F)N2CCC1CC2 ZINC000005764077 188103325 /nfs/dbraw/zinc/10/33/25/188103325.db2.gz SWVOZCCALVRIKL-UKTHLTGXSA-N 0 0 245.297 2.851 50 0 BFAARN Cc1cccc(NC(=O)c2ccsc2)n1 ZINC000012526713 188104991 /nfs/dbraw/zinc/10/49/91/188104991.db2.gz NTDCUZPEUVRAJS-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN COc1ccc(COC(=O)c2cccs2)cn1 ZINC000076091007 538109963 /nfs/dbraw/zinc/10/99/63/538109963.db2.gz BMSRWVKCRJEHCP-UHFFFAOYSA-N 0 0 249.291 2.509 50 0 BFAARN CC(=O)Nc1c(C)cccc1C(=O)OC(C)C ZINC000023053401 188109526 /nfs/dbraw/zinc/10/95/26/188109526.db2.gz WBKXJJWIOFLXNJ-UHFFFAOYSA-N 0 0 235.283 2.519 50 0 BFAARN Cc1ccc(C(=O)c2ncco2)c(C)c1 ZINC000043210578 188121343 /nfs/dbraw/zinc/12/13/43/188121343.db2.gz CSPFCDAZISAQOC-UHFFFAOYSA-N 0 0 201.225 2.522 50 0 BFAARN COc1ccc(C[C@@H]2CCCC(=O)C2)cc1 ZINC000043210778 188121969 /nfs/dbraw/zinc/12/19/69/188121969.db2.gz HRUCIIVYHABPSG-LBPRGKRZSA-N 0 0 218.296 2.997 50 0 BFAARN CC(C)(C)c1ccc(-c2cc(N)n[nH]2)cc1 ZINC000015919747 188105774 /nfs/dbraw/zinc/10/57/74/188105774.db2.gz FIMVEZWTACFRMZ-UHFFFAOYSA-N 0 0 215.300 2.956 50 0 BFAARN COc1cc(Br)c(Cl)cc1N ZINC000015444513 188105815 /nfs/dbraw/zinc/10/58/15/188105815.db2.gz QXHFCTQXBMGLQY-UHFFFAOYSA-N 0 0 236.496 2.693 50 0 BFAARN CC(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000095403668 188145357 /nfs/dbraw/zinc/14/53/57/188145357.db2.gz SMAMNTIBAIINGS-GFCCVEGCSA-N 0 0 235.352 2.647 50 0 BFAARN Cc1ccc(C(=O)c2cccc(F)c2F)cn1 ZINC000045029091 188123923 /nfs/dbraw/zinc/12/39/23/188123923.db2.gz AUIFQQFBRJKZKI-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CC(C)CSc1nc(Cl)ns1 ZINC000048056670 188124839 /nfs/dbraw/zinc/12/48/39/188124839.db2.gz HKXVGPWGOKSLGG-UHFFFAOYSA-N 0 0 208.739 2.940 50 0 BFAARN Cc1ccc(C(=O)NCc2ccc(C)nc2)s1 ZINC000047557403 188125055 /nfs/dbraw/zinc/12/50/55/188125055.db2.gz MDZQKOSGXOJNOP-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN OCc1ccccc1-c1nc2ccccc2o1 ZINC000067757101 188129019 /nfs/dbraw/zinc/12/90/19/188129019.db2.gz PEQZGWHETZOVBL-UHFFFAOYSA-N 0 0 225.247 2.987 50 0 BFAARN C1=C[C@@H](Cc2nnc(Cc3ccccc3)[nH]2)CC1 ZINC000065403577 188129659 /nfs/dbraw/zinc/12/96/59/188129659.db2.gz XGOPYCMJBUHMBS-CYBMUJFWSA-N 0 0 239.322 2.904 50 0 BFAARN c1c[nH]c(CCn2ccnc2[C@H]2CC=CCC2)n1 ZINC000067714419 188129780 /nfs/dbraw/zinc/12/97/80/188129780.db2.gz ZCWVYWCTTFSXHH-LBPRGKRZSA-N 0 0 242.326 2.673 50 0 BFAARN CC(C)(C)[C@H](N)c1nc(-c2ccccc2)no1 ZINC000035411428 188145725 /nfs/dbraw/zinc/14/57/25/188145725.db2.gz ICNUBRSICPXNSU-SNVBAGLBSA-N 0 0 231.299 2.783 50 0 BFAARN CCOC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000095093212 188145762 /nfs/dbraw/zinc/14/57/62/188145762.db2.gz WKJJNMWERMSARF-DTWKUNHWSA-N 0 0 226.222 2.631 50 0 BFAARN CC(C)=CC(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC000046951357 188152760 /nfs/dbraw/zinc/15/27/60/188152760.db2.gz DUTCOXULIWQIDK-CYBMUJFWSA-N 0 0 246.354 2.594 50 0 BFAARN Cc1occc1C(=O)Nc1cccc(C)n1 ZINC000000999793 188158324 /nfs/dbraw/zinc/15/83/24/188158324.db2.gz MQSPSHBJLCZCOJ-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN CC(=O)c1c2c(cc3c1CCC3)CCC2 ZINC000001855442 188159088 /nfs/dbraw/zinc/15/90/88/188159088.db2.gz LXEFIXBOEISQEM-UHFFFAOYSA-N 0 0 200.281 2.867 50 0 BFAARN CCOC(=O)/C=C/[C@@H]1C[C@@H]1c1ccccc1 ZINC000004020193 188160658 /nfs/dbraw/zinc/16/06/58/188160658.db2.gz PEEFCGIMKBGSEH-RYYBZQDPSA-N 0 0 216.280 2.909 50 0 BFAARN CC(C)(C)OC(=O)n1cccc1[Si](C)(C)C ZINC000170176886 188161379 /nfs/dbraw/zinc/16/13/79/188161379.db2.gz GRYWMWZQJYZJAB-UHFFFAOYSA-N 0 0 239.391 2.817 50 0 BFAARN CC(C)[C@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)C(=O)[O-] ZINC000170090850 188161533 /nfs/dbraw/zinc/16/15/33/188161533.db2.gz RVGLVGIPCAZXPC-NEPJUHHUSA-N 0 0 241.375 2.902 50 0 BFAARN CC(=O)OC[C@]12CC=C(C)[C@H]([C@H]1C)[C@H](C)OC2 ZINC000012878449 188163790 /nfs/dbraw/zinc/16/37/90/188163790.db2.gz KSCMOJQRHWGLDT-ZMJPVWNMSA-N 0 0 238.327 2.557 50 0 biogenic BFAARN FC(F)(F)c1ccncc1NN1CCCCC1 ZINC000095081587 180896488 /nfs/dbraw/zinc/89/64/88/180896488.db2.gz DOUDMHZHYLDBFR-UHFFFAOYSA-N 0 0 245.248 2.913 50 0 BFAARN FC(F)(F)c1ccncc1Br ZINC000016159521 180896655 /nfs/dbraw/zinc/89/66/55/180896655.db2.gz OPNNLECPNPMTMV-UHFFFAOYSA-N 0 0 225.995 2.863 50 0 BFAARN CC(=O)Oc1cccc(OC(F)(F)F)c1F ZINC000095495762 188146374 /nfs/dbraw/zinc/14/63/74/188146374.db2.gz VONKDBFQWGSSQG-UHFFFAOYSA-N 0 0 238.136 2.650 50 0 BFAARN CC(C)C[C@@H](C)OC(=O)c1ccc2nc[nH]c2n1 ZINC000095942855 188147720 /nfs/dbraw/zinc/14/77/20/188147720.db2.gz NCISLKUKKRNHOG-SECBINFHSA-N 0 0 247.298 2.549 50 0 BFAARN C1CC(c2nc([C@@H]3CCCCCN3)no2)C1 ZINC000096001577 188148195 /nfs/dbraw/zinc/14/81/95/188148195.db2.gz UURNWOATZRSETM-JTQLQIEISA-N 0 0 221.304 2.542 50 0 BFAARN COc1ccc(C)nc1NC(=O)c1ccsc1 ZINC000098016204 188148567 /nfs/dbraw/zinc/14/85/67/188148567.db2.gz LZWRJJKYBMLBRH-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 BFAARN C(=C/c1ccccc1)\CSc1c[nH]nn1 ZINC000097227369 188148646 /nfs/dbraw/zinc/14/86/46/188148646.db2.gz ASVMKGFBWJSGDB-QPJJXVBHSA-N 0 0 217.297 2.610 50 0 BFAARN CSc1ccc(NC(=O)c2cccn2C)cc1 ZINC000012977246 188176144 /nfs/dbraw/zinc/17/61/44/188176144.db2.gz GPQYQXHHFVNBPO-UHFFFAOYSA-N 0 0 246.335 2.999 50 0 BFAARN O=C(c1cc(C2CCCC2)no1)N1CCCCC1 ZINC000096443646 188188562 /nfs/dbraw/zinc/18/85/62/188188562.db2.gz QANUCKNIVGKWSD-UHFFFAOYSA-N 0 0 248.326 2.958 50 0 BFAARN Cc1oncc1-c1cn2cccc(C)c2n1 ZINC000001387837 353335521 /nfs/dbraw/zinc/33/55/21/353335521.db2.gz UBVHGPXVJZACOO-UHFFFAOYSA-N 0 0 213.240 2.606 50 0 BFAARN Fc1c(Br)nccc1OC(F)F ZINC000263623147 180946651 /nfs/dbraw/zinc/94/66/51/180946651.db2.gz FCTXNPLGAJCTPH-UHFFFAOYSA-N 0 0 241.994 2.585 50 0 BFAARN Fc1ccc(-c2ccc(Cl)nn2)cc1 ZINC000011567904 180957313 /nfs/dbraw/zinc/95/73/13/180957313.db2.gz LYFFDJDAWPESSH-UHFFFAOYSA-N 0 0 208.623 2.936 50 0 BFAARN Fc1ccc(CNc2cccnc2)cc1 ZINC000008699351 180970536 /nfs/dbraw/zinc/97/05/36/180970536.db2.gz BDRWECDHPUHVEW-UHFFFAOYSA-N 0 0 202.232 2.833 50 0 BFAARN CCOC(=O)/C=C/c1ccc(Cl)cc1 ZINC000002507462 353475581 /nfs/dbraw/zinc/47/55/81/353475581.db2.gz MHZFMMSRIDAQIB-VMPITWQZSA-N 0 0 210.660 2.916 50 0 BFAARN CC(=O)[C@H](C)Oc1ccccc1-n1cccc1 ZINC000001397897 188454026 /nfs/dbraw/zinc/45/40/26/188454026.db2.gz AMXKWFOFMGEWAA-LBPRGKRZSA-N 0 0 229.279 2.834 50 0 BFAARN Clc1nc2sccc2c(Cl)n1 ZINC000021298412 188463175 /nfs/dbraw/zinc/46/31/75/188463175.db2.gz HRXNGIQKOWQHCX-UHFFFAOYSA-N 0 0 205.069 2.998 50 0 BFAARN CCC(=O)NC(=S)Nc1ccc(Cl)cc1 ZINC000000341975 188452971 /nfs/dbraw/zinc/45/29/71/188452971.db2.gz GRRMRBMHFVBPNZ-UHFFFAOYSA-N 0 0 242.731 2.563 50 0 BFAARN Cc1cc(C)n(-c2ccc(Cl)cc2)c(=O)n1 ZINC000000383262 188453045 /nfs/dbraw/zinc/45/30/45/188453045.db2.gz JBNJTEMNFNLTFR-UHFFFAOYSA-N 0 0 234.686 2.503 50 0 BFAARN CC(=O)Nc1ccc(NC(C)(C)C)cc1 ZINC000000346000 188453131 /nfs/dbraw/zinc/45/31/31/188453131.db2.gz CWSKZEFSILUNOK-UHFFFAOYSA-N 0 0 206.289 2.855 50 0 BFAARN CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000000295652 188453256 /nfs/dbraw/zinc/45/32/56/188453256.db2.gz DRRCKKJEBGEBGR-SSDOTTSWSA-N 0 0 242.116 2.646 50 0 BFAARN Fc1cccc(Cc2noc([C@@H]3CCCO3)n2)c1 ZINC000252489373 180998852 /nfs/dbraw/zinc/99/88/52/180998852.db2.gz JPNAGBGNZSCEHX-NSHDSACASA-N 0 0 248.257 2.651 50 0 BFAARN Fc1cccc(F)c1I ZINC000002525762 181000401 /nfs/dbraw/zinc/00/04/01/181000401.db2.gz VQMXWPLTZBKNEH-UHFFFAOYSA-N 0 0 239.990 2.569 50 0 BFAARN Fc1ccccc1Cn1nnc2ccccc21 ZINC000004487637 181014362 /nfs/dbraw/zinc/01/43/62/181014362.db2.gz XKZKINMEZTYWQV-UHFFFAOYSA-N 0 0 227.242 2.619 50 0 BFAARN Cc1ccc2nc(-c3cccc(N)c3)cn2c1 ZINC000082238058 188493744 /nfs/dbraw/zinc/49/37/44/188493744.db2.gz STXDTOSRJXNYOW-UHFFFAOYSA-N 0 0 223.279 2.892 50 0 BFAARN CC/C=C\CCS(=O)(=O)c1ccccc1 ZINC000256446247 535246532 /nfs/dbraw/zinc/24/65/32/535246532.db2.gz MJMRGMFPPFNGNP-ARJAWSKDSA-N 0 0 224.325 2.817 50 0 BFAARN Fc1ccccc1-c1nc(-c2ccncc2)no1 ZINC000004009040 181009091 /nfs/dbraw/zinc/00/90/91/181009091.db2.gz GYURFHGLEAXOKT-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN CC(C)(C)Oc1ccncc1NCc1ncc[nH]1 ZINC000095436189 188499880 /nfs/dbraw/zinc/49/98/80/188499880.db2.gz LYRDMYDNODQWPK-UHFFFAOYSA-N 0 0 246.314 2.594 50 0 BFAARN Fc1cnc(Cl)nc1N1CCCCCC1 ZINC000070461077 181016720 /nfs/dbraw/zinc/01/67/20/181016720.db2.gz OJIIYIYZHXQQPS-UHFFFAOYSA-N 0 0 229.686 2.650 50 0 BFAARN Cc1cc(C)c(S(=O)(=O)C(C)C)c(C)c1 ZINC000000399785 188517164 /nfs/dbraw/zinc/51/71/64/188517164.db2.gz UBTJTYGQYBCGHP-UHFFFAOYSA-N 0 0 226.341 2.794 50 0 BFAARN Cc1ccc2c(c1)N(Cc1ccc(CO)o1)CC2 ZINC000096500319 188545797 /nfs/dbraw/zinc/54/57/97/188545797.db2.gz PQMKZQSHGGKNNT-UHFFFAOYSA-N 0 0 243.306 2.643 50 0 BFAARN Cc1ccc(Br)c(OC(F)F)n1 ZINC000263625217 188549575 /nfs/dbraw/zinc/54/95/75/188549575.db2.gz XTVDVNKBZQCDTB-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN CC(=O)Nc1ccc(-c2ccc(N)cc2)cc1 ZINC000001603229 188581057 /nfs/dbraw/zinc/58/10/57/188581057.db2.gz DZQXBXZZSKPMDV-UHFFFAOYSA-N 0 0 226.279 2.894 50 0 BFAARN Fc1ccc(-c2nc(Cn3ccnc3)co2)cc1 ZINC000040493363 358492122 /nfs/dbraw/zinc/49/21/22/358492122.db2.gz XYHGGWGZSQBPBL-UHFFFAOYSA-N 0 0 243.241 2.726 50 0 BFAARN Clc1ccc(Oc2cccnc2Cl)nn1 ZINC000008716888 363445033 /nfs/dbraw/zinc/44/50/33/363445033.db2.gz XYNCVEOOHDEKMO-UHFFFAOYSA-N 0 0 242.065 2.971 50 0 BFAARN Nc1ncc(C(F)(F)F)cc1-c1cccnc1 ZINC000047212433 355367151 /nfs/dbraw/zinc/36/71/51/355367151.db2.gz ZVOUMHLFMUESCX-UHFFFAOYSA-N 0 0 239.200 2.745 50 0 BFAARN CC(C)=C1C(=O)N[C@H](C)/C1=C\c1ccccc1 ZINC000043761647 191686754 /nfs/dbraw/zinc/68/67/54/191686754.db2.gz FMVUWBOOZCUMBD-VSXLWIIGSA-N 0 0 227.307 2.925 50 0 BFAARN Cc1cccc(-c2nnc3ccc(Cl)cn32)n1 ZINC000032529819 355621113 /nfs/dbraw/zinc/62/11/13/355621113.db2.gz KFYYGAZWLPTINO-UHFFFAOYSA-N 0 0 244.685 2.753 50 0 BFAARN NC1=NC(=O)SC1=Cc1cccs1 ZINC000002708799 181207614 /nfs/dbraw/zinc/20/76/14/181207614.db2.gz ZJJUMFGAKUTYST-GQCTYLIASA-N 0 0 210.283 2.523 50 0 BFAARN Cc1nc([C@@H](C)NC(=O)C2CC=CC2)cs1 ZINC000336003172 134048039 /nfs/dbraw/zinc/04/80/39/134048039.db2.gz BRPQEEFHHBFLQD-MRVPVSSYSA-N 0 0 236.340 2.595 50 0 BFAARN NC(=O)CC1(c2cccs2)CCCCC1 ZINC000000337227 181219036 /nfs/dbraw/zinc/21/90/36/181219036.db2.gz GNZVQVGLVZNCDW-UHFFFAOYSA-N 0 0 223.341 2.825 50 0 BFAARN CCOc1ccc2nc(NC(C)=O)sc2c1 ZINC000001507992 355919869 /nfs/dbraw/zinc/91/98/69/355919869.db2.gz SEZFMSBMRCMBCZ-UHFFFAOYSA-N 0 0 236.296 2.653 50 0 BFAARN NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000004810675 181247216 /nfs/dbraw/zinc/24/72/16/181247216.db2.gz ZKYNFIWEOSWBMN-UHFFFAOYSA-N 0 0 225.247 2.614 50 0 BFAARN CCCC(=O)N[C@@H](C)CCc1ccco1 ZINC000047741118 356164533 /nfs/dbraw/zinc/16/45/33/356164533.db2.gz JXBGCDGKJMLMDV-JTQLQIEISA-N 0 0 209.289 2.517 50 0 BFAARN CC(C)CC(=O)N[C@H](C)CCc1ccco1 ZINC000047741131 356165152 /nfs/dbraw/zinc/16/51/52/356165152.db2.gz FVNBPYUMNRANEC-LLVKDONJSA-N 0 0 223.316 2.763 50 0 BFAARN NC(=O)N[C@@H](c1ccccc1)c1ccccc1F ZINC000000438714 181260778 /nfs/dbraw/zinc/26/07/78/181260778.db2.gz ODXYTAROUUKKPM-ZDUSSCGKSA-N 0 0 244.269 2.583 50 0 BFAARN CN(C=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000000398874 356357898 /nfs/dbraw/zinc/35/78/98/356357898.db2.gz ZIPOKCPUJLZHCC-UHFFFAOYSA-N 0 0 223.275 2.850 50 0 BFAARN C[C@@](O)(c1ccc(Cl)cc1)c1ccccn1 ZINC000000399053 356358080 /nfs/dbraw/zinc/35/80/80/356358080.db2.gz MVGXHPOATKRSGF-CYBMUJFWSA-N 0 0 233.698 2.991 50 0 BFAARN CC(C)(C)NC(=O)C1(Br)CCCC1 ZINC000002143303 356365687 /nfs/dbraw/zinc/36/56/87/356365687.db2.gz NIPLZIHEDZRKSY-UHFFFAOYSA-N 0 0 248.164 2.609 50 0 BFAARN O=C1CC[C@H]2[C@H]1C=CC21SCCCS1 ZINC000045072263 356372445 /nfs/dbraw/zinc/37/24/45/356372445.db2.gz VLGFSYYRLIRPBV-BDAKNGLRSA-N 0 0 226.366 2.718 50 0 BFAARN O=C1CC[C@@H]2[C@@H]1C=CC21SCCCS1 ZINC000045072257 356372521 /nfs/dbraw/zinc/37/25/21/356372521.db2.gz VLGFSYYRLIRPBV-DTWKUNHWSA-N 0 0 226.366 2.718 50 0 BFAARN COC(=O)N1C=CC=CC2=C1CCCC2 ZINC000045069477 356372550 /nfs/dbraw/zinc/37/25/50/356372550.db2.gz BULHBVYVQDRQJL-UHFFFAOYSA-N 0 0 205.257 2.966 50 0 BFAARN CC(C)(C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000015835983 356377190 /nfs/dbraw/zinc/37/71/90/356377190.db2.gz YBFCXCHQCHAYAQ-JTQLQIEISA-N 0 0 221.300 2.989 50 0 BFAARN O=C(c1ccco1)N1CCC[C@@H]1c1ccco1 ZINC000015836030 356377310 /nfs/dbraw/zinc/37/73/10/356377310.db2.gz KYNRRTSASJNEGI-SNVBAGLBSA-N 0 0 231.251 2.850 50 0 BFAARN O=C(NC(C1CC1)C1CC1)c1ccc(F)cc1 ZINC000012905576 356568646 /nfs/dbraw/zinc/56/86/46/356568646.db2.gz BFSCAUKHMGXOFN-UHFFFAOYSA-N 0 0 233.286 2.744 50 0 BFAARN COc1cc(C)c(NC(=O)C=C(C)C)cc1OC ZINC000023154220 356634605 /nfs/dbraw/zinc/63/46/05/356634605.db2.gz AMBUAUHAWVITBA-UHFFFAOYSA-N 0 0 249.310 2.917 50 0 BFAARN Cc1ccc(CSc2[nH]c(=O)ncc2C)cc1 ZINC000015952218 356640256 /nfs/dbraw/zinc/64/02/56/356640256.db2.gz VHUHKOXOHOLDSZ-UHFFFAOYSA-N 0 0 246.335 2.679 50 0 BFAARN NC(=O)c1cc(C(F)(F)F)cc(Cl)c1F ZINC000002382038 181288825 /nfs/dbraw/zinc/28/88/25/181288825.db2.gz ITROXMKOCKYPDM-UHFFFAOYSA-N 0 0 241.571 2.597 50 0 BFAARN NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000081557219 181288345 /nfs/dbraw/zinc/28/83/45/181288345.db2.gz NHFAAJBYHSFDAY-UHFFFAOYSA-N 0 0 246.697 2.865 50 0 BFAARN Clc1cccc2c3c([nH]c21)CCOC3 ZINC000083728881 538520618 /nfs/dbraw/zinc/52/06/18/538520618.db2.gz SNTDJVXDAXQCTD-UHFFFAOYSA-N 0 0 207.660 2.894 50 0 BFAARN c1cc(NCc2c[nH]nc2-c2ccccc2)no1 ZINC000019774268 356686081 /nfs/dbraw/zinc/68/60/81/356686081.db2.gz JHCMFRXCYXSLGK-UHFFFAOYSA-N 0 0 240.266 2.677 50 0 BFAARN CCCC(=O)N1C[C@H](C)Oc2ccccc21 ZINC000041306495 535340948 /nfs/dbraw/zinc/34/09/48/535340948.db2.gz ZPSIFQFZKXZOFG-JTQLQIEISA-N 0 0 219.284 2.601 50 0 BFAARN C(=C/c1ccnnc1)\c1ccn(-c2ccccc2)n1 ZINC000095459391 538607489 /nfs/dbraw/zinc/60/74/89/538607489.db2.gz FUILIJLIEWZMOP-VOTSOKGWSA-N 0 0 248.289 2.833 50 0 BFAARN O=C(C1CCCC1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000089817983 538584197 /nfs/dbraw/zinc/58/41/97/538584197.db2.gz QZMUKQBDNHSLRM-BETUJISGSA-N 0 0 219.328 2.601 50 0 BFAARN O=C(C1CCCCC1)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000089818210 538584315 /nfs/dbraw/zinc/58/43/15/538584315.db2.gz IZTVYDGUJWZZON-ZIAGYGMSSA-N 0 0 233.355 2.991 50 0 BFAARN OC1CCC(Nc2nccc3occc32)CC1 ZINC000089884770 538586336 /nfs/dbraw/zinc/58/63/36/538586336.db2.gz QUVKETIDZLYGAS-UHFFFAOYSA-N 0 0 232.283 2.543 50 0 BFAARN CC(=O)N(Cc1ccccc1F)C1CCC1 ZINC000089930366 538586724 /nfs/dbraw/zinc/58/67/24/538586724.db2.gz RUVQOCOSZHUBBK-UHFFFAOYSA-N 0 0 221.275 2.727 50 0 BFAARN CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCC(=O)[O-] ZINC000212294588 356731524 /nfs/dbraw/zinc/73/15/24/356731524.db2.gz VCYDMBGTTJDGSG-AWEZNQCLSA-N 0 0 249.354 2.723 50 0 BFAARN CNC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000092760124 538595602 /nfs/dbraw/zinc/59/56/02/538595602.db2.gz RKLNBHPNGJEPTR-UKRRQHHQSA-N 0 0 244.338 2.727 50 0 BFAARN O=C(c1cnc(-c2ccoc2)s1)N1CCCC1 ZINC000095399691 538606051 /nfs/dbraw/zinc/60/60/51/538606051.db2.gz BMSAWXUZALWAOB-UHFFFAOYSA-N 0 0 248.307 2.639 50 0 BFAARN CC1(C)C[C@@H]([NH2+][C@H]2CCOC2)c2ccccc21 ZINC000095983723 538612924 /nfs/dbraw/zinc/61/29/24/538612924.db2.gz UVCYJXMOPGBZSQ-SMDDNHRTSA-N 0 0 231.339 2.788 50 0 BFAARN CCCC[C@@H]1OC(=O)c2cc(N)ccc21 ZINC000075250512 356913402 /nfs/dbraw/zinc/91/34/02/356913402.db2.gz DQBGVUCLKLYTJM-NSHDSACASA-N 0 0 205.257 2.671 50 0 BFAARN NC(=O)Sc1ccc(Br)cc1 ZINC000075261162 356923833 /nfs/dbraw/zinc/92/38/33/356923833.db2.gz FEKSWGOHCTUNNR-UHFFFAOYSA-N 0 0 232.102 2.620 50 0 BFAARN O=C(OC1CCCCC1)c1ccccc1O ZINC000001599356 356989503 /nfs/dbraw/zinc/98/95/03/356989503.db2.gz NUQDJSMHGCTKNL-UHFFFAOYSA-N 0 0 220.268 2.882 50 0 BFAARN Cc1ccc2c(c1)S[C@@H](C(=O)NC(C)C)C2 ZINC000012875571 538776590 /nfs/dbraw/zinc/77/65/90/538776590.db2.gz HVIPHORZVMRVED-GFCCVEGCSA-N 0 0 235.352 2.536 50 0 BFAARN CSc1ncc(C(F)(F)F)cc1O ZINC000261494087 491106901 /nfs/dbraw/zinc/10/69/01/491106901.db2.gz POCINYCQRDZRQQ-UHFFFAOYSA-N 0 0 209.192 2.528 50 0 BFAARN CCN(CC)C(=O)Cn1c(C)cc2ccccc21 ZINC000001643123 357049373 /nfs/dbraw/zinc/04/93/73/357049373.db2.gz MPRMWLVHRHZLML-UHFFFAOYSA-N 0 0 244.338 2.818 50 0 BFAARN Cc1ccc(S[C@H](C)C(=O)N2CCC2)cc1 ZINC000012926227 538778519 /nfs/dbraw/zinc/77/85/19/538778519.db2.gz MWSBNIBBQXZZOY-LLVKDONJSA-N 0 0 235.352 2.708 50 0 BFAARN CC1CCC(NC(=O)Cc2ccsc2)CC1 ZINC000012983954 538781656 /nfs/dbraw/zinc/78/16/56/538781656.db2.gz VOUPDVDMKWKACW-UHFFFAOYSA-N 0 0 237.368 2.986 50 0 BFAARN c1ccc2c(c1)N=C(N1CCCC1)CS2 ZINC000102194383 357217152 /nfs/dbraw/zinc/21/71/52/357217152.db2.gz UMHTXYOMQBFOBZ-UHFFFAOYSA-N 0 0 218.325 2.918 50 0 BFAARN CC[C@]1(C)OC(=O)N(Cc2ccccc2)[C@]1(C)O ZINC000035327535 357177732 /nfs/dbraw/zinc/17/77/32/357177732.db2.gz MUMVWDVYJBOAQP-UONOGXRCSA-N 0 0 249.310 2.516 50 0 BFAARN Cc1ccc(C(=O)NC2CC2)cc1-n1cccc1 ZINC000014263057 538842557 /nfs/dbraw/zinc/84/25/57/538842557.db2.gz PVXJOQHAFOMSQW-UHFFFAOYSA-N 0 0 240.306 2.678 50 0 BFAARN CCO[C@H](CNC(=O)[C@H]1C[C@H]1C)c1ccccc1 ZINC000248845685 357515140 /nfs/dbraw/zinc/51/51/40/357515140.db2.gz TWCRWVUIKITSDZ-KWCYVHTRSA-N 0 0 247.338 2.536 50 0 BFAARN NC(=O)c1ccc(CNc2cccc(F)c2)cc1 ZINC000020051146 181296683 /nfs/dbraw/zinc/29/66/83/181296683.db2.gz ASLRHGHIKQLKDM-UHFFFAOYSA-N 0 0 244.269 2.537 50 0 BFAARN COC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000013327597 358433011 /nfs/dbraw/zinc/43/30/11/358433011.db2.gz XBOOSSXVZOXOAM-UHFFFAOYSA-N 0 0 219.162 2.884 50 0 BFAARN CCCC(=O)Nc1cnc2ccccc2c1 ZINC000045870402 358566193 /nfs/dbraw/zinc/56/61/93/358566193.db2.gz VBBIXPCPYIQPQC-UHFFFAOYSA-N 0 0 214.268 2.973 50 0 BFAARN CCc1[nH]nc(NCc2nc(C)cs2)c1C ZINC000089280099 358954514 /nfs/dbraw/zinc/95/45/14/358954514.db2.gz FHVGMFXLAFULST-UHFFFAOYSA-N 0 0 236.344 2.658 50 0 BFAARN COC(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1 ZINC000006524428 359879656 /nfs/dbraw/zinc/87/96/56/359879656.db2.gz JDKIVMBNEYBNAT-SSDOTTSWSA-N 0 0 248.200 2.646 50 0 BFAARN CN(C)C(=O)c1ccc(Oc2ccccc2)nc1 ZINC000089312109 360010229 /nfs/dbraw/zinc/01/02/29/360010229.db2.gz KGSGOQZZQDWWGL-UHFFFAOYSA-N 0 0 242.278 2.576 50 0 BFAARN CC(=O)N1CCC[C@@H]1c1ccc(C)s1 ZINC000095397281 360337048 /nfs/dbraw/zinc/33/70/48/360337048.db2.gz ZBDBGAJHQXDRPR-SNVBAGLBSA-N 0 0 209.314 2.740 50 0 BFAARN O=C(c1ccon1)N1CCC2(CCCCC2)CC1 ZINC000095959468 360341271 /nfs/dbraw/zinc/34/12/71/360341271.db2.gz CSOGATLWMWDNCC-UHFFFAOYSA-N 0 0 248.326 2.861 50 0 BFAARN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC(F)(F)CC1 ZINC000252537312 363737537 /nfs/dbraw/zinc/73/75/37/363737537.db2.gz KXYSIZNLCWFLBM-URLYPYJESA-N 0 0 243.297 2.680 50 0 BFAARN Cc1ccc(NC(=O)[C@H](O)c2ccccc2)cc1 ZINC000005928980 360500919 /nfs/dbraw/zinc/50/09/19/360500919.db2.gz BINKBTHAZZIVLD-CQSZACIVSA-N 0 0 241.290 2.667 50 0 BFAARN NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000078994399 181301343 /nfs/dbraw/zinc/30/13/43/181301343.db2.gz OTBQJDFMMFDBTC-UHFFFAOYSA-N 0 0 249.216 2.856 50 0 BFAARN CC(C)(C)C(=O)Nc1nccc(Cl)c1C=O ZINC000091690751 166535402 /nfs/dbraw/zinc/53/54/02/166535402.db2.gz NHWHRFKTYLZJMO-UHFFFAOYSA-N 0 0 240.690 2.532 50 0 BFAARN CCCC(=O)N[C@H](C)c1cccc(OC)c1 ZINC000006699585 360606687 /nfs/dbraw/zinc/60/66/87/360606687.db2.gz BYRQUCGLELHWHG-SNVBAGLBSA-N 0 0 221.300 2.673 50 0 BFAARN COC(=O)[C@H](C)Oc1c(Cl)cccc1Cl ZINC000006763241 360756520 /nfs/dbraw/zinc/75/65/20/360756520.db2.gz XYYWAIIUSAQRSP-LURJTMIESA-N 0 0 249.093 2.934 50 0 BFAARN CCO[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000036315793 360885398 /nfs/dbraw/zinc/88/53/98/360885398.db2.gz BWIFVCROTHJOFM-ZDUSSCGKSA-N 0 0 248.326 2.719 50 0 BFAARN NC(=S)COc1ccc2ccccc2c1 ZINC000005010859 181316460 /nfs/dbraw/zinc/31/64/60/181316460.db2.gz SBHHJRSUWRCFGW-UHFFFAOYSA-N 0 0 217.293 2.505 50 0 BFAARN NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000001389518 181319318 /nfs/dbraw/zinc/31/93/18/181319318.db2.gz CVQDYBYEKHWWCH-UHFFFAOYSA-N 0 0 240.331 2.913 50 0 BFAARN C[C@H](Nc1nc2ccccc2o1)[C@H]1CCCO1 ZINC000037998870 361095776 /nfs/dbraw/zinc/09/57/76/361095776.db2.gz QBGNQXMVEOBHOP-GXSJLCMTSA-N 0 0 232.283 2.807 50 0 BFAARN COc1ccc(-c2cnc3ccc(F)cn32)cn1 ZINC000426479763 200988233 /nfs/dbraw/zinc/98/82/33/200988233.db2.gz PMSZRDRIYRICAL-UHFFFAOYSA-N 0 0 243.241 2.544 50 0 BFAARN CCc1nc(C)cc(-c2cccc3ccnn32)n1 ZINC000426510200 200990011 /nfs/dbraw/zinc/99/00/11/200990011.db2.gz UVYDOSUTSAVLKB-UHFFFAOYSA-N 0 0 238.294 2.662 50 0 BFAARN Cn1nc(-c2ccsc2)nc1N1CCCCC1 ZINC000426628315 200995148 /nfs/dbraw/zinc/99/51/48/200995148.db2.gz RMRLCSHZDZCLCC-UHFFFAOYSA-N 0 0 248.355 2.534 50 0 BFAARN CCCn1nccc1-c1cc(C)nc(CC)n1 ZINC000426734206 200998477 /nfs/dbraw/zinc/99/84/77/200998477.db2.gz APDWJLNLGNWSNK-UHFFFAOYSA-N 0 0 230.315 2.621 50 0 BFAARN O=c1cc(Br)[nH]cc1C(F)(F)F ZINC000238727578 361372001 /nfs/dbraw/zinc/37/20/01/361372001.db2.gz ZDRQEQSJXJOHKH-UHFFFAOYSA-N 0 0 241.994 2.569 50 0 BFAARN C[C@H](NC(=O)Cc1cccs1)c1ccco1 ZINC000037114790 361679463 /nfs/dbraw/zinc/67/94/63/361679463.db2.gz JPTKXLATEVYWSK-VIFPVBQESA-N 0 0 235.308 2.761 50 0 BFAARN CCc1nc(Cl)cc(C(F)(F)F)n1 ZINC000307612870 541315981 /nfs/dbraw/zinc/31/59/81/541315981.db2.gz LAWNIHGKWJELMH-UHFFFAOYSA-N 0 0 210.586 2.711 50 0 BFAARN CONC(=O)CCc1ccc(Cl)cc1Cl ZINC000038284845 364382924 /nfs/dbraw/zinc/38/29/24/364382924.db2.gz GUQRGRIWCHOQAD-UHFFFAOYSA-N 0 0 248.109 2.604 50 0 BFAARN C[C@@H]1Oc2c(cccc2C(=O)N2CCCC2)[C@@H]1C ZINC000032820035 541501801 /nfs/dbraw/zinc/50/18/01/541501801.db2.gz AQICUQZJCACHLG-MNOVXSKESA-N 0 0 245.322 2.807 50 0 BFAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCCC2)C1(C)C ZINC000032843258 541502255 /nfs/dbraw/zinc/50/22/55/541502255.db2.gz OILFIJKSVULUJO-NEPJUHHUSA-N 0 0 221.344 2.847 50 0 BFAARN CC(=O)Nc1cc(C)nn1-c1cc(C)cc(C)c1 ZINC000032859946 541502545 /nfs/dbraw/zinc/50/25/45/541502545.db2.gz RCQLODLCKFTFLD-UHFFFAOYSA-N 0 0 243.310 2.756 50 0 BFAARN CCCCO[C@@H](C)CC(C)(C)OC(C)=O ZINC000002250629 368139298 /nfs/dbraw/zinc/13/92/98/368139298.db2.gz ZUPWEEIULYBCPZ-JTQLQIEISA-N 0 0 216.321 2.923 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000016970232 368367855 /nfs/dbraw/zinc/36/78/55/368367855.db2.gz MNFOEAXSHGSEIY-MDZLAQPJSA-N 0 0 217.312 2.828 50 0 BFAARN COC(=O)c1cc(Cl)c(C=O)c(Cl)c1 ZINC000203233127 368354873 /nfs/dbraw/zinc/35/48/73/368354873.db2.gz PZMMESDUAFUZSK-UHFFFAOYSA-N 0 0 233.050 2.593 50 0 BFAARN COc1cc(Br)ccc1C(C)(C)O ZINC000216014647 368362316 /nfs/dbraw/zinc/36/23/16/368362316.db2.gz SOKDOQGEPNGAQY-UHFFFAOYSA-N 0 0 245.116 2.685 50 0 BFAARN CC(=O)OC[C@H]1CCc2cc3ccccc3n2C1 ZINC000034451494 368374129 /nfs/dbraw/zinc/37/41/29/368374129.db2.gz RFBARYYIFKYGNM-LBPRGKRZSA-N 0 0 243.306 2.767 50 0 BFAARN COC(=O)C[C@@H](c1cccc(O)c1)C1CCC1 ZINC000140850435 368392727 /nfs/dbraw/zinc/39/27/27/368392727.db2.gz RCMHMWBFRCPMEX-CYBMUJFWSA-N 0 0 234.295 2.839 50 0 BFAARN COCOc1cccc(Br)c1F ZINC000218233567 368400764 /nfs/dbraw/zinc/40/07/64/368400764.db2.gz SXEMORNYBLWPCA-UHFFFAOYSA-N 0 0 235.052 2.571 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000253356195 368937028 /nfs/dbraw/zinc/93/70/28/368937028.db2.gz DRZPSBQCDQSQNS-WYUUTHIRSA-N 0 0 209.333 2.680 50 0 BFAARN C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccco2)C[C@H]1C ZINC000253369632 368939825 /nfs/dbraw/zinc/93/98/25/368939825.db2.gz FWEBSLPARNZHNQ-NDBYEHHHSA-N 0 0 237.343 2.727 50 0 BFAARN CCn1ncc(C)c1NC(=O)[C@@H]1CC=CCC1 ZINC000618444006 369147156 /nfs/dbraw/zinc/14/71/56/369147156.db2.gz WLCMFKUSSVKUGO-LLVKDONJSA-N 0 0 233.315 2.506 50 0 BFAARN NNc1cccc(Oc2ccccc2)c1 ZINC000040442562 181519400 /nfs/dbraw/zinc/51/94/00/181519400.db2.gz CXUMKPRQWDUWQE-UHFFFAOYSA-N 0 0 200.241 2.765 50 0 BFAARN Cc1ccc(NC(=O)[C@@H]2CC23CCCC3)cn1 ZINC000019792882 371189065 /nfs/dbraw/zinc/18/90/65/371189065.db2.gz IQFHQPQEDKPAHX-LBPRGKRZSA-N 0 0 230.311 2.909 50 0 BFAARN Nc1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000019953361 371209141 /nfs/dbraw/zinc/20/91/41/371209141.db2.gz IWYAOYMSUXAEHT-UHFFFAOYSA-N 0 0 227.242 2.723 50 0 BFAARN Nc1c2cccnc2ccc1C1CCC(O)CC1 ZINC000095494823 181667594 /nfs/dbraw/zinc/66/75/94/181667594.db2.gz OSDGTLMOCOWCOH-UHFFFAOYSA-N 0 0 242.322 2.836 50 0 BFAARN CC(C)CC(=O)N1CCC(c2ccncc2)CC1 ZINC000021114935 371359842 /nfs/dbraw/zinc/35/98/42/371359842.db2.gz KYJPHOXUNJDDEQ-UHFFFAOYSA-N 0 0 246.354 2.834 50 0 BFAARN Nc1cc(Br)cc2[nH]ccc21 ZINC000002383974 181677624 /nfs/dbraw/zinc/67/76/24/181677624.db2.gz KLQFZHDLYGMBCX-UHFFFAOYSA-N 0 0 211.062 2.513 50 0 BFAARN Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1 ZINC000013136001 181663376 /nfs/dbraw/zinc/66/33/76/181663376.db2.gz PTOIGRHOCJXCQD-UHFFFAOYSA-N 0 0 227.189 2.678 50 0 BFAARN Nc1ccc(F)cc1OCc1ccccc1 ZINC000021955785 181712606 /nfs/dbraw/zinc/71/26/06/181712606.db2.gz CUNIXMCXONNGMG-UHFFFAOYSA-N 0 0 217.243 2.987 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@H]2c2ccco2)on1 ZINC000021525397 371442343 /nfs/dbraw/zinc/44/23/43/371442343.db2.gz SAZNZMVJFBMTFJ-JTQLQIEISA-N 0 0 246.266 2.553 50 0 BFAARN Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000042372849 181744426 /nfs/dbraw/zinc/74/44/26/181744426.db2.gz ZCCRONCNAAMYNN-INIZCTEOSA-N 0 0 231.320 2.577 50 0 BFAARN Nc1ccccc1C(=O)NCCC1=CCCCC1 ZINC000002872345 181752518 /nfs/dbraw/zinc/75/25/18/181752518.db2.gz VUVCDDVYWNXVJC-UHFFFAOYSA-N 0 0 244.338 2.889 50 0 BFAARN CC(C)c1cc(C(=O)NC2CCCCC2)no1 ZINC000002498008 371560035 /nfs/dbraw/zinc/56/00/35/371560035.db2.gz ROSZFDQYFYLYFY-UHFFFAOYSA-N 0 0 236.315 2.861 50 0 BFAARN O=C1CCCC[C@@H]1[C@H](O)c1ccc(F)cc1 ZINC000028294563 371591730 /nfs/dbraw/zinc/59/17/30/371591730.db2.gz DGXAHHNBPVFSJS-WCQYABFASA-N 0 0 222.259 2.618 50 0 BFAARN Cc1cc(C(=O)Nc2cc(C)cc(C)c2)n(C)n1 ZINC000002752968 371650116 /nfs/dbraw/zinc/65/01/16/371650116.db2.gz FGKIOURGWVDTQU-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN Nc1nc2cc(Br)c(F)cc2s1 ZINC000113654950 181791991 /nfs/dbraw/zinc/79/19/91/181791991.db2.gz RPCKLZZTGOIHCJ-UHFFFAOYSA-N 0 0 247.092 2.780 50 0 BFAARN Nc1nc2cc(OCc3ccccc3)ccc2o1 ZINC000097757446 181792247 /nfs/dbraw/zinc/79/22/47/181792247.db2.gz HVDHKOOJSSLNSN-UHFFFAOYSA-N 0 0 240.262 2.989 50 0 BFAARN Nc1ncccc1C(=O)c1cccc(Cl)c1 ZINC000069844541 181801825 /nfs/dbraw/zinc/80/18/25/181801825.db2.gz NWKIUJMHRCDZMA-UHFFFAOYSA-N 0 0 232.670 2.548 50 0 BFAARN Nc1nnc(-c2ccc(F)cc2Cl)s1 ZINC000000615742 181812706 /nfs/dbraw/zinc/81/27/06/181812706.db2.gz HNZCWVJOCVACGT-UHFFFAOYSA-N 0 0 229.667 2.580 50 0 BFAARN Nc1nnc(Nc2cccc(Cl)c2)s1 ZINC000005183708 181813881 /nfs/dbraw/zinc/81/38/81/181813881.db2.gz IKVXNHXIULRZMX-UHFFFAOYSA-N 0 0 226.692 2.517 50 0 BFAARN C/C(=C/C(=O)N1CCO[C@@H]2CCCC[C@H]21)C1CC1 ZINC000230216075 371871868 /nfs/dbraw/zinc/87/18/68/371871868.db2.gz WWXCVJMHLPVYGK-MCZKDORBSA-N 0 0 249.354 2.513 50 0 BFAARN Nc1cccc(F)c1OCc1ccccc1 ZINC000132636240 371879282 /nfs/dbraw/zinc/87/92/82/371879282.db2.gz LIOJPDKTJQWCJX-UHFFFAOYSA-N 0 0 217.243 2.987 50 0 BFAARN O=C(/C=C\c1ccccc1)NCc1ccco1 ZINC000033377254 181849125 /nfs/dbraw/zinc/84/91/25/181849125.db2.gz MKJOZHINIJXWJJ-HJWRWDBZSA-N 0 0 227.263 2.609 50 0 BFAARN O=C(/C=C\c1ccccc1Cl)n1cccn1 ZINC000033449038 181849937 /nfs/dbraw/zinc/84/99/37/181849937.db2.gz MTIBBBMXPDAIDL-SREVYHEPSA-N 0 0 232.670 2.890 50 0 BFAARN CN1C(=O)O[C@]2(C)CCc3ccccc3[C@]12C ZINC000003958385 372100648 /nfs/dbraw/zinc/10/06/48/372100648.db2.gz CTDWXPWFRVKRSF-KGLIPLIRSA-N 0 0 231.295 2.689 50 0 BFAARN C(=C\c1nccs1)\c1ccnn1CC1CC1 ZINC000606445596 372104345 /nfs/dbraw/zinc/10/43/45/372104345.db2.gz PGJVDHNSSPXOGA-ARJAWSKDSA-N 0 0 231.324 2.920 50 0 BFAARN Cc1nc(CC(=O)Nc2ccc(C)cc2)cs1 ZINC000007995486 372219817 /nfs/dbraw/zinc/21/98/17/372219817.db2.gz UEDKLDUPENRLQY-UHFFFAOYSA-N 0 0 246.335 2.941 50 0 BFAARN Cc1cc(C)n(C(=O)/C=C/c2cccs2)n1 ZINC000004278837 372193352 /nfs/dbraw/zinc/19/33/52/372193352.db2.gz YGSZJSHBDOIFSS-AATRIKPKSA-N 0 0 232.308 2.915 50 0 BFAARN CCCCN1c2ccc(Cl)cc2C(=O)C1=O ZINC000007261576 168824876 /nfs/dbraw/zinc/82/48/76/168824876.db2.gz WJVZGZNNJNUGOK-UHFFFAOYSA-N 0 0 237.686 2.669 50 0 BFAARN O=C(CC1CCCCC1)N1CCSCC1 ZINC000049208837 181894538 /nfs/dbraw/zinc/89/45/38/181894538.db2.gz RQPXGRKYLKOQTG-UHFFFAOYSA-N 0 0 227.373 2.532 50 0 BFAARN O=C(COc1cccc(F)c1)Oc1ccccc1 ZINC000066324541 182000961 /nfs/dbraw/zinc/00/09/61/182000961.db2.gz AKKYTBOLYNXUTN-UHFFFAOYSA-N 0 0 246.237 2.810 50 0 BFAARN O=c1c2ccccc2[nH]nc1-c1ccccc1 ZINC000008772755 372892733 /nfs/dbraw/zinc/89/27/33/372892733.db2.gz DCVQXYWIIQWVKR-UHFFFAOYSA-N 0 0 222.247 2.590 50 0 BFAARN O=C(C[C@@H]1C=CCC1)Nc1ccc2c(c1)CCO2 ZINC000027127484 182014561 /nfs/dbraw/zinc/01/45/61/182014561.db2.gz UOBMCIPNJMZPAW-LLVKDONJSA-N 0 0 243.306 2.916 50 0 BFAARN OCCOc1ccccc1OCc1ccccc1 ZINC000039267852 372925479 /nfs/dbraw/zinc/92/54/79/372925479.db2.gz KOIBPLFCOLEOCX-UHFFFAOYSA-N 0 0 244.290 2.637 50 0 BFAARN O=C(C[C@H]1C=CCC1)Nc1cccc2c[nH]nc21 ZINC000012883423 182025063 /nfs/dbraw/zinc/02/50/63/182025063.db2.gz FQFODPSBQDVPES-JTQLQIEISA-N 0 0 241.294 2.858 50 0 BFAARN O=C(C[C@H]1C=CCC1)NC(C1CC1)C1CC1 ZINC000042025400 182025272 /nfs/dbraw/zinc/02/52/72/182025272.db2.gz BTBYAVMXDACUEW-JTQLQIEISA-N 0 0 219.328 2.648 50 0 BFAARN O=C(Cc1cccc(Cl)c1)NC1CCCC1 ZINC000067788353 182040731 /nfs/dbraw/zinc/04/07/31/182040731.db2.gz HXXQLDQGRFCYAQ-UHFFFAOYSA-N 0 0 237.730 2.941 50 0 BFAARN O=C(Cc1ccc(F)cc1)c1ccc(O)cc1O ZINC000002566404 182037461 /nfs/dbraw/zinc/03/74/61/182037461.db2.gz CXBCJNQNUZOTQH-UHFFFAOYSA-N 0 0 246.237 2.662 50 0 BFAARN O=C(Cc1ccccc1)NC=C(Cl)Cl ZINC000003129827 182044521 /nfs/dbraw/zinc/04/45/21/182044521.db2.gz CBJIURPYPJUDNU-UHFFFAOYSA-N 0 0 230.094 2.622 50 0 BFAARN CCCCNC(=O)/C=C/c1ccccc1 ZINC000001677067 168837931 /nfs/dbraw/zinc/83/79/31/168837931.db2.gz PFJWWVNCWHBPJL-MDZDMXLPSA-N 0 0 203.285 2.616 50 0 BFAARN O=C(Cc1cccs1)NCc1ccc(F)cc1 ZINC000000311074 182052145 /nfs/dbraw/zinc/05/21/45/182052145.db2.gz MDMWKXBMIDPICX-UHFFFAOYSA-N 0 0 249.310 2.746 50 0 BFAARN O=C(Cc1cccs1)NCc1ccccc1 ZINC000001506659 182052755 /nfs/dbraw/zinc/05/27/55/182052755.db2.gz BOACWSKTTGEFHR-UHFFFAOYSA-N 0 0 231.320 2.607 50 0 BFAARN O=C(Cc1ccnc(F)c1)c1ccc(F)cc1 ZINC000034606623 182053626 /nfs/dbraw/zinc/05/36/26/182053626.db2.gz IQQGMZXTWMSUSV-UHFFFAOYSA-N 0 0 233.217 2.785 50 0 BFAARN CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)OCC ZINC000068709744 373047618 /nfs/dbraw/zinc/04/76/18/373047618.db2.gz LWVSAJAAMVUGDI-UPJWGTAASA-N 0 0 241.375 2.887 50 0 BFAARN CN(Cc1ccsc1)C(=O)c1ccco1 ZINC000039981796 373080451 /nfs/dbraw/zinc/08/04/51/373080451.db2.gz XMTCRRSVSSHMDL-UHFFFAOYSA-N 0 0 221.281 2.613 50 0 BFAARN CC[C@@H](Nc1cccc(C)c1C)C(=O)OC ZINC000040019935 373089046 /nfs/dbraw/zinc/08/90/46/373089046.db2.gz TWIRCMCEIGPLTK-LLVKDONJSA-N 0 0 221.300 2.667 50 0 BFAARN CCCCCCNC(=O)Nc1nccs1 ZINC000040050611 373097353 /nfs/dbraw/zinc/09/73/53/373097353.db2.gz MGTPUBUJJIDLSY-UHFFFAOYSA-N 0 0 227.333 2.845 50 0 BFAARN O=C(Cn1ccc2cc(Cl)ccc21)NC1CC1 ZINC000032072152 182067084 /nfs/dbraw/zinc/06/70/84/182067084.db2.gz LCDSMZNTQMRIEN-UHFFFAOYSA-N 0 0 248.713 2.573 50 0 BFAARN C[C@@H](Cc1ccco1)NC(=O)[C@@H]1CC=CCC1 ZINC000040074711 373101441 /nfs/dbraw/zinc/10/14/41/373101441.db2.gz NZQAQPUXSWLLRF-NWDGAFQWSA-N 0 0 233.311 2.683 50 0 BFAARN CCc1ccc(C(=O)NCCc2cccs2)o1 ZINC000040082148 373103696 /nfs/dbraw/zinc/10/36/96/373103696.db2.gz QRPJEVUDRMGUKN-UHFFFAOYSA-N 0 0 249.335 2.876 50 0 BFAARN O=C(Cn1ccc2c1cccc2Cl)NC1CC1 ZINC000032090870 182067819 /nfs/dbraw/zinc/06/78/19/182067819.db2.gz BSHVKHDTEBDIHZ-UHFFFAOYSA-N 0 0 248.713 2.573 50 0 BFAARN CCSc1nnc(C)n1-c1cccc(C)c1 ZINC000039964468 373073307 /nfs/dbraw/zinc/07/33/07/373073307.db2.gz STSOXRIXIGWFKE-UHFFFAOYSA-N 0 0 233.340 2.996 50 0 BFAARN CC(=O)n1nc(C)c(Cl)c1C(F)(F)F ZINC000002379322 205458066 /nfs/dbraw/zinc/45/80/66/205458066.db2.gz MWNGKCVYWMWLNB-UHFFFAOYSA-N 0 0 226.585 2.524 50 0 BFAARN CC(C)(C)CC(=O)NCCc1cccs1 ZINC000040457603 373276790 /nfs/dbraw/zinc/27/67/90/373276790.db2.gz ORPUBUJAPGRYRG-UHFFFAOYSA-N 0 0 225.357 2.843 50 0 BFAARN Nc1c(Cl)ncnc1Oc1cccc(F)c1 ZINC000040428538 373262002 /nfs/dbraw/zinc/26/20/02/373262002.db2.gz VMDMGJXRUJBXBV-UHFFFAOYSA-N 0 0 239.637 2.644 50 0 BFAARN O=C(NC1CC1)c1ccc2ccccc2c1 ZINC000006433384 182100589 /nfs/dbraw/zinc/10/05/89/182100589.db2.gz BLZTZXANILMOFM-UHFFFAOYSA-N 0 0 211.264 2.732 50 0 BFAARN C[C@H](NC(=O)CC(F)(F)F)c1ccccc1 ZINC000040490308 373328974 /nfs/dbraw/zinc/32/89/74/373328974.db2.gz PDANYEFQMMOECR-QMMMGPOBSA-N 0 0 231.217 2.816 50 0 BFAARN Cc1ccc(CNC(=O)CC(F)(F)F)cc1 ZINC000040490337 373329528 /nfs/dbraw/zinc/32/95/28/373329528.db2.gz NUSCPTJDNXKGAU-UHFFFAOYSA-N 0 0 231.217 2.564 50 0 BFAARN O=C(NC1CC1)c1occc1-c1ccccc1 ZINC000012972249 182102737 /nfs/dbraw/zinc/10/27/37/182102737.db2.gz YOSPNAPZNZLRON-UHFFFAOYSA-N 0 0 227.263 2.839 50 0 BFAARN Cc1cc(CN(C)Cc2sccc2C)no1 ZINC000040465910 373280618 /nfs/dbraw/zinc/28/06/18/373280618.db2.gz OWTKRBRHJPCRPL-UHFFFAOYSA-N 0 0 236.340 2.985 50 0 BFAARN O=C(NC1CCCCC1)N1CCCCCC1 ZINC000000315953 182111769 /nfs/dbraw/zinc/11/17/69/182111769.db2.gz KFRATZXXWCOLKQ-UHFFFAOYSA-N 0 0 224.348 2.905 50 0 BFAARN O=C(NC1CCCCCC1)c1ccccn1 ZINC000004761523 182114755 /nfs/dbraw/zinc/11/47/55/182114755.db2.gz SVRXABGPKJMHKG-UHFFFAOYSA-N 0 0 218.300 2.534 50 0 BFAARN O=C(NC1CCCC1)C1=Cc2ccccc2OC1 ZINC000005034358 182108715 /nfs/dbraw/zinc/10/87/15/182108715.db2.gz NPJCPLWKVXYUTE-UHFFFAOYSA-N 0 0 243.306 2.521 50 0 BFAARN O=C(NC1CCCC1)c1c(F)cccc1F ZINC000004869919 182109442 /nfs/dbraw/zinc/10/94/42/182109442.db2.gz NRDHNIDKGYCTTQ-UHFFFAOYSA-N 0 0 225.238 2.637 50 0 BFAARN O=C(NC1CCCCCC1)c1cc(C2CC2)n[nH]1 ZINC000020607637 182113849 /nfs/dbraw/zinc/11/38/49/182113849.db2.gz RQRBRHULRBMXOS-UHFFFAOYSA-N 0 0 247.342 2.740 50 0 BFAARN O=C(NC1Cc2ccccc2C1)c1cccs1 ZINC000009483062 182120162 /nfs/dbraw/zinc/12/01/62/182120162.db2.gz OHHGMOCQFHFWPD-UHFFFAOYSA-N 0 0 243.331 2.645 50 0 BFAARN O=C(NCC1(O)CCCCCC1)c1ccccc1 ZINC000071911497 182132770 /nfs/dbraw/zinc/13/27/70/182132770.db2.gz CRGDNPPWICHKDZ-UHFFFAOYSA-N 0 0 247.338 2.502 50 0 BFAARN c1nn2ccccc2c1-c1nc2ccccc2[nH]1 ZINC000178959923 205645232 /nfs/dbraw/zinc/64/52/32/205645232.db2.gz SAWZUHAANSWAFA-UHFFFAOYSA-N 0 0 234.262 2.878 50 0 BFAARN O=C(NCC1CC1)c1cc(Cl)ccc1F ZINC000032909820 182140461 /nfs/dbraw/zinc/14/04/61/182140461.db2.gz LYWXYQRUULJKEO-UHFFFAOYSA-N 0 0 227.666 2.619 50 0 BFAARN O=C(NCC1=CCCCC1)C1CC(F)(F)C1 ZINC000336296048 182133879 /nfs/dbraw/zinc/13/38/79/182133879.db2.gz GSZHBUNISNUVKD-UHFFFAOYSA-N 0 0 229.270 2.648 50 0 BFAARN O=C(NCCc1ccc(F)cc1)c1ccsc1 ZINC000012875301 182202331 /nfs/dbraw/zinc/20/23/31/182202331.db2.gz BEXGXHIVALUVNP-UHFFFAOYSA-N 0 0 249.310 2.860 50 0 BFAARN O=C(NCCc1ccccc1)c1cccc(F)c1 ZINC000000235903 182204409 /nfs/dbraw/zinc/20/44/09/182204409.db2.gz DDABCDSIGRXMAR-UHFFFAOYSA-N 0 0 243.281 2.798 50 0 BFAARN O=C(NCCc1cccs1)Nc1ccccn1 ZINC000043309842 182206944 /nfs/dbraw/zinc/20/69/44/182206944.db2.gz JJDJQKFMBINUET-UHFFFAOYSA-N 0 0 247.323 2.507 50 0 BFAARN O=C(NCCc1ccco1)Nc1ccccc1 ZINC000013023040 182207183 /nfs/dbraw/zinc/20/71/83/182207183.db2.gz GUDYDPUPMIRZSV-UHFFFAOYSA-N 0 0 230.267 2.644 50 0 BFAARN O=C(NCCc1ccsc1)C1CCCCC1 ZINC000013698206 182210426 /nfs/dbraw/zinc/21/04/26/182210426.db2.gz TWYKVPPOWVPJQI-UHFFFAOYSA-N 0 0 237.368 2.987 50 0 BFAARN Cn1c2ccccc2nc1SC[C@@H]1CCCO1 ZINC000041101296 374109660 /nfs/dbraw/zinc/10/96/60/374109660.db2.gz BFFOZUZBTOKLOB-JTQLQIEISA-N 0 0 248.351 2.844 50 0 BFAARN CCCCC(=O)N1CCc2nc(C)sc2C1 ZINC000041194318 374118477 /nfs/dbraw/zinc/11/84/77/374118477.db2.gz LJKJZTJIXQWRBX-UHFFFAOYSA-N 0 0 238.356 2.526 50 0 BFAARN CC(C)CNC(=O)CSc1ccc(F)cc1 ZINC000070236121 374132844 /nfs/dbraw/zinc/13/28/44/374132844.db2.gz VMTPHJKVVDEECZ-UHFFFAOYSA-N 0 0 241.331 2.690 50 0 BFAARN CCCCNC(=O)[C@@H](CC)Oc1ccccc1 ZINC000004702899 168855387 /nfs/dbraw/zinc/85/53/87/168855387.db2.gz FJCOBMDIUKPQAD-CYBMUJFWSA-N 0 0 235.327 2.760 50 0 BFAARN C[C@@H](O)CNc1ccnc2ccc(Cl)cc21 ZINC000041474791 374142366 /nfs/dbraw/zinc/14/23/66/374142366.db2.gz XKNOGPNHMPQLJN-MRVPVSSYSA-N 0 0 236.702 2.681 50 0 BFAARN O=C(NCc1cccc(Cl)c1)C1CCC1 ZINC000021310660 182252598 /nfs/dbraw/zinc/25/25/98/182252598.db2.gz BGCBIDOWQINQSH-UHFFFAOYSA-N 0 0 223.703 2.756 50 0 BFAARN O=C(NCc1ccco1)[C@H]1C[C@@H]1c1ccccc1 ZINC000002747346 182263084 /nfs/dbraw/zinc/26/30/84/182263084.db2.gz YMFYOUIQBHWTQR-KGLIPLIRSA-N 0 0 241.290 2.700 50 0 BFAARN O=C(NCc1cccs1)c1cccs1 ZINC000000139441 182264249 /nfs/dbraw/zinc/26/42/49/182264249.db2.gz SYNVBWKSJAUSMB-UHFFFAOYSA-N 0 0 223.322 2.740 50 0 BFAARN O=C(NCc1ccccc1)c1ccnc(Cl)c1 ZINC000019813631 182256902 /nfs/dbraw/zinc/25/69/02/182256902.db2.gz GPHOZXHUZVPYJC-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN O=C(NCc1ccccn1)N1CCCCCCC1 ZINC000009368443 182257929 /nfs/dbraw/zinc/25/79/29/182257929.db2.gz LELNUYSPLPVADV-UHFFFAOYSA-N 0 0 247.342 2.557 50 0 BFAARN O=C(NCc1cccnc1)Nc1cccc(F)c1 ZINC000006698990 182259867 /nfs/dbraw/zinc/25/98/67/182259867.db2.gz SUDZGMVBHVXXKU-UHFFFAOYSA-N 0 0 245.257 2.542 50 0 BFAARN Cc1coc(C)c1C(=O)NC1CCCC1 ZINC000009764031 374240323 /nfs/dbraw/zinc/24/03/23/374240323.db2.gz PVYTYZAVIBGQIS-UHFFFAOYSA-N 0 0 207.273 2.569 50 0 BFAARN O=C(NCc1ccco1)Nc1ccccc1 ZINC000000063721 182261798 /nfs/dbraw/zinc/26/17/98/182261798.db2.gz DJYZCQZAMVKSHF-UHFFFAOYSA-N 0 0 216.240 2.601 50 0 BFAARN O=C(NCc1ccco1)c1c[nH]c2ccccc12 ZINC000035133709 182262877 /nfs/dbraw/zinc/26/28/77/182262877.db2.gz FTOAKKUYBYWDBX-UHFFFAOYSA-N 0 0 240.262 2.691 50 0 BFAARN CCC(=O)N(Cc1ccco1)Cc1cccnc1 ZINC000071837596 374305012 /nfs/dbraw/zinc/30/50/12/374305012.db2.gz SNVUDGOUDVGQHS-UHFFFAOYSA-N 0 0 244.294 2.613 50 0 BFAARN COc1cc(C)cc(OC)c1-c1cc(N)ccn1 ZINC000426421014 206046847 /nfs/dbraw/zinc/04/68/47/206046847.db2.gz BOXBAKYYFGGPJY-UHFFFAOYSA-N 0 0 244.294 2.656 50 0 BFAARN C(=C/C1CCCCC1)\c1cnc2nncn2c1 ZINC000426574752 206051696 /nfs/dbraw/zinc/05/16/96/206051696.db2.gz BJDQODGDKCUEIT-VOTSOKGWSA-N 0 0 228.299 2.718 50 0 BFAARN O=C(N[C@@H]1CCCc2occc21)C1CCC1 ZINC000069464436 182301789 /nfs/dbraw/zinc/30/17/89/182301789.db2.gz YIJMHGQRPHUPPJ-LLVKDONJSA-N 0 0 219.284 2.573 50 0 BFAARN O=C(Nc1ccon1)Nc1ccc(Cl)cc1 ZINC000002762917 182352168 /nfs/dbraw/zinc/35/21/68/182352168.db2.gz RUKGRRFRKPUCSJ-UHFFFAOYSA-N 0 0 237.646 2.972 50 0 BFAARN O=C(Nc1ccc(F)cc1)c1cc(C2CC2)on1 ZINC000024370713 182356938 /nfs/dbraw/zinc/35/69/38/182356938.db2.gz MXNWGTBGJGBDNU-UHFFFAOYSA-N 0 0 246.241 2.943 50 0 BFAARN O=C(Nc1ccc(Cl)cn1)C1CCCC1 ZINC000013746848 182353846 /nfs/dbraw/zinc/35/38/46/182353846.db2.gz HLIPMAFJOQDVFE-UHFFFAOYSA-N 0 0 224.691 2.864 50 0 BFAARN O=C(Nc1ccc(Cl)cc1)c1ccno1 ZINC000000121732 182354492 /nfs/dbraw/zinc/35/44/92/182354492.db2.gz VZHVERZVSHCFNW-UHFFFAOYSA-N 0 0 222.631 2.580 50 0 BFAARN O=C(Nc1ccc(F)cc1)[C@@H]1CC1(Cl)Cl ZINC000006340587 182355613 /nfs/dbraw/zinc/35/56/13/182355613.db2.gz YODOOKWMHGXGAC-QMMMGPOBSA-N 0 0 248.084 2.958 50 0 BFAARN O=C(Nc1ccc(F)cc1)c1ccc(O)cc1 ZINC000000131810 182357179 /nfs/dbraw/zinc/35/71/79/182357179.db2.gz KLWSUBIYNNYVJA-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1ccc(F)cc1)c1cc(C2CC2)[nH]n1 ZINC000031940398 182357326 /nfs/dbraw/zinc/35/73/26/182357326.db2.gz IUAQLHREGNHTRZ-UHFFFAOYSA-N 0 0 245.257 2.679 50 0 BFAARN O=C(Nc1ccc(O)cc1F)C1=CCCC1 ZINC000097098097 182361271 /nfs/dbraw/zinc/36/12/71/182361271.db2.gz DRBRIITVGJUXCR-UHFFFAOYSA-N 0 0 221.231 2.580 50 0 BFAARN O=C(Nc1ccc2n[nH]cc2c1)c1ccccc1 ZINC000005695132 182362123 /nfs/dbraw/zinc/36/21/23/182362123.db2.gz ABOFPYLENBBLEJ-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 BFAARN O=C(Nc1cccc2cnccc21)C1CC1 ZINC000021217798 182374721 /nfs/dbraw/zinc/37/47/21/182374721.db2.gz ASBFPGDAEUOWJR-UHFFFAOYSA-N 0 0 212.252 2.583 50 0 BFAARN O=C(Nc1ccccc1)N1CCCCC1 ZINC000000161802 182376084 /nfs/dbraw/zinc/37/60/84/182376084.db2.gz UICIJOHWFFTRLI-UHFFFAOYSA-N 0 0 204.273 2.704 50 0 BFAARN O=C(Nc1ccccc1)O[C@H]1CCSC1 ZINC000000142063 182376595 /nfs/dbraw/zinc/37/65/95/182376595.db2.gz JJGVKJZQRYHNDF-JTQLQIEISA-N 0 0 223.297 2.741 50 0 BFAARN O=C(Nc1ccccc1)Oc1ccccn1 ZINC000000395113 182377025 /nfs/dbraw/zinc/37/70/25/182377025.db2.gz NMQVKCSSLPARTC-UHFFFAOYSA-N 0 0 214.224 2.693 50 0 BFAARN O=C(Nc1ccccc1)[C@H]1CC=CCC1 ZINC000003111395 182377442 /nfs/dbraw/zinc/37/74/42/182377442.db2.gz IXBVBLXFAJUYKZ-NSHDSACASA-N 0 0 201.269 2.981 50 0 BFAARN O=C(Nc1ccccc1)n1nnc2ccccc21 ZINC000005484029 182378269 /nfs/dbraw/zinc/37/82/69/182378269.db2.gz ZSQPWIRBCUQHBN-UHFFFAOYSA-N 0 0 238.250 2.512 50 0 BFAARN O=C(Nc1ccccc1)c1cccc2c1OCO2 ZINC000040554547 182378369 /nfs/dbraw/zinc/37/83/69/182378369.db2.gz DILHJKQJIRRSPN-UHFFFAOYSA-N 0 0 241.246 2.668 50 0 BFAARN O=C(Nc1cccc(F)c1)C1CCCC1 ZINC000001016966 182369802 /nfs/dbraw/zinc/36/98/02/182369802.db2.gz GMJHXPYPTZFOAN-UHFFFAOYSA-N 0 0 207.248 2.954 50 0 BFAARN O=C(Nc1cccc(O)c1)Nc1cccc(O)c1 ZINC000005785172 182370834 /nfs/dbraw/zinc/37/08/34/182370834.db2.gz AEJLRFPKZUWHEY-UHFFFAOYSA-N 0 0 244.250 2.742 50 0 BFAARN O=C(Nc1cccc2[nH]ccc21)c1ccncc1 ZINC000072401954 182372045 /nfs/dbraw/zinc/37/20/45/182372045.db2.gz KKCLAFQCNVWJHX-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 BFAARN O=C(Nc1ccccc1O)c1cc(F)ccc1F ZINC000009255575 182379843 /nfs/dbraw/zinc/37/98/43/182379843.db2.gz QWKXFJWLUZICKU-UHFFFAOYSA-N 0 0 249.216 2.923 50 0 BFAARN O=C(Nc1ccccc1F)c1cscn1 ZINC000041506720 182380729 /nfs/dbraw/zinc/38/07/29/182380729.db2.gz CYDPFSRPUFLBOV-UHFFFAOYSA-N 0 0 222.244 2.535 50 0 BFAARN O=C(Nc1ccccn1)c1ccc2ccccc2n1 ZINC000000230410 182382696 /nfs/dbraw/zinc/38/26/96/182382696.db2.gz ZPRCRZOROVUWAJ-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1cccnc1)[C@@H]1CC12CCCCC2 ZINC000019839446 182384234 /nfs/dbraw/zinc/38/42/34/182384234.db2.gz FBINDLYDEWNFNL-LBPRGKRZSA-N 0 0 230.311 2.991 50 0 BFAARN O=C(Nc1cccnc1)[C@H]1CC12CCCCC2 ZINC000019839448 182384249 /nfs/dbraw/zinc/38/42/49/182384249.db2.gz FBINDLYDEWNFNL-GFCCVEGCSA-N 0 0 230.311 2.991 50 0 BFAARN O=C(Nc1ccncc1)c1ccc2c(c1)CCC2 ZINC000017585291 182386762 /nfs/dbraw/zinc/38/67/62/182386762.db2.gz VZWVNCIXZLYSFU-UHFFFAOYSA-N 0 0 238.290 2.823 50 0 BFAARN O=C(Nc1ccncc1)c1cccc2cc[nH]c21 ZINC000076189827 182387600 /nfs/dbraw/zinc/38/76/00/182387600.db2.gz OUWALTIELZEGIC-UHFFFAOYSA-N 0 0 237.262 2.815 50 0 BFAARN O=C(Nc1ccon1)c1ccc(Cl)cc1 ZINC000013745734 182388902 /nfs/dbraw/zinc/38/89/02/182388902.db2.gz RELKZHGPSJLYEC-UHFFFAOYSA-N 0 0 222.631 2.580 50 0 BFAARN O=C(Nc1nccs1)c1ccc(F)c(F)c1 ZINC000009641518 182401918 /nfs/dbraw/zinc/40/19/18/182401918.db2.gz GTRYNJPVBJMPEO-UHFFFAOYSA-N 0 0 240.234 2.674 50 0 BFAARN O=C(Nc1n[nH]c2cc(F)ccc21)c1ccoc1 ZINC000225613491 182396778 /nfs/dbraw/zinc/39/67/78/182396778.db2.gz LMOZSGZCFLXYKS-UHFFFAOYSA-N 0 0 245.213 2.547 50 0 BFAARN O=C(Nc1cnoc1)c1nc2ccccc2s1 ZINC000075170856 182396781 /nfs/dbraw/zinc/39/67/81/182396781.db2.gz DTBDUQBNVMVIPD-UHFFFAOYSA-N 0 0 245.263 2.537 50 0 BFAARN O=C(Nc1nc(-c2cccnc2)cs1)C1CC1 ZINC000006969484 182397261 /nfs/dbraw/zinc/39/72/61/182397261.db2.gz RDZCRNOBXARELB-UHFFFAOYSA-N 0 0 245.307 2.554 50 0 BFAARN O=C(OCCCC(F)(F)F)c1ccco1 ZINC000157575633 182602051 /nfs/dbraw/zinc/60/20/51/182602051.db2.gz ODBKNTDHUPHAKO-UHFFFAOYSA-N 0 0 222.162 2.779 50 0 BFAARN O=C([C@@H]1CC=CCC1)N1CCc2sccc2C1 ZINC000012553558 182614220 /nfs/dbraw/zinc/61/42/20/182614220.db2.gz WWKUGXKWNFCBJZ-LLVKDONJSA-N 0 0 247.363 2.989 50 0 BFAARN O=C(c1c(F)cccc1F)N1CCCCCC1 ZINC000000035195 182644974 /nfs/dbraw/zinc/64/49/74/182644974.db2.gz RRINWFXOXXUQGK-UHFFFAOYSA-N 0 0 239.265 2.981 50 0 BFAARN O=C(c1cc(Cl)ccn1)N1CCCCCC1 ZINC000034937827 182649411 /nfs/dbraw/zinc/64/94/11/182649411.db2.gz GIWMXIGGTMOCPV-UHFFFAOYSA-N 0 0 238.718 2.751 50 0 BFAARN CCOC(=O)C[C@@H]1CC(C)(C)OC1(C)C ZINC000095883934 170232299 /nfs/dbraw/zinc/23/22/99/170232299.db2.gz IPVBSPQFHKAZPQ-SECBINFHSA-N 0 0 214.305 2.533 50 0 BFAARN CCCCOCCCNC(=O)CC(C)(C)C ZINC000002743579 168894283 /nfs/dbraw/zinc/89/42/83/168894283.db2.gz ZGRSBMNHVHAYMZ-UHFFFAOYSA-N 0 0 229.364 2.746 50 0 BFAARN O=C(c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000000249659 182678257 /nfs/dbraw/zinc/67/82/57/182678257.db2.gz MPTQHSCJAADSCG-UHFFFAOYSA-N 0 0 240.258 2.689 50 0 BFAARN O=C(c1cccnc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000032819487 182683082 /nfs/dbraw/zinc/68/30/82/182683082.db2.gz CGAJISHBFSDDEQ-GXTWGEPZSA-N 0 0 244.338 2.876 50 0 BFAARN O=C1C[C@H](c2cccc(Cl)c2)c2c[nH]nc2N1 ZINC000020723933 182786038 /nfs/dbraw/zinc/78/60/38/182786038.db2.gz YBWGRSCSCIAIJT-SECBINFHSA-N 0 0 247.685 2.537 50 0 BFAARN O=C1N[C@@H]([C@H]2CC=CCC2)Nc2ccccc21 ZINC000000150118 182818494 /nfs/dbraw/zinc/81/84/94/182818494.db2.gz KORVABRTGPOWDA-GWCFXTLKSA-N 0 0 228.295 2.524 50 0 BFAARN O=C1OC(c2ccco2)=N/C1=C/c1cccs1 ZINC000000356183 182827125 /nfs/dbraw/zinc/82/71/25/182827125.db2.gz ICWDLELKWPAHQS-VQHVLOKHSA-N 0 0 245.259 2.686 50 0 BFAARN O=C1O[C@@H](c2ccccc2)C(=O)c2ccccc21 ZINC000038841825 182836686 /nfs/dbraw/zinc/83/66/86/182836686.db2.gz XCHGJUZNPCZXLL-AWEZNQCLSA-N 0 0 238.242 2.781 50 0 BFAARN O=Cc1ccc(-c2cccc(F)c2)nc1 ZINC000002527559 182865815 /nfs/dbraw/zinc/86/58/15/182865815.db2.gz NYXTZOPVKQNRIS-UHFFFAOYSA-N 0 0 201.200 2.700 50 0 BFAARN O=Cc1ccc(OC(F)F)c(OCC2CC2)c1 ZINC000059796790 182868298 /nfs/dbraw/zinc/86/82/98/182868298.db2.gz AHVVCELVGCPYGI-UHFFFAOYSA-N 0 0 242.221 2.889 50 0 BFAARN O=Cc1ncc(Cl)cc1C(F)(F)F ZINC000085223698 182876199 /nfs/dbraw/zinc/87/61/99/182876199.db2.gz RVWJCAMEXVEXOV-UHFFFAOYSA-N 0 0 209.554 2.566 50 0 BFAARN CCCCOc1cc(F)c(N)c(F)c1 ZINC000091252314 168915804 /nfs/dbraw/zinc/91/58/04/168915804.db2.gz QJBXYVXNGAAECC-UHFFFAOYSA-N 0 0 201.216 2.726 50 0 BFAARN CCCCOc1cccc(-c2nnc(N)s2)c1 ZINC000002228275 168919691 /nfs/dbraw/zinc/91/96/91/168919691.db2.gz CDUSDSXOBNLGOJ-UHFFFAOYSA-N 0 0 249.339 2.966 50 0 BFAARN CCCCS(=O)(=O)c1ccc(C)cc1 ZINC000002173262 168929494 /nfs/dbraw/zinc/92/94/94/168929494.db2.gz GQNSNCZNXFDRRL-UHFFFAOYSA-N 0 0 212.314 2.569 50 0 BFAARN O=[S@@](Cc1ccccc1)c1ccccc1 ZINC000006665118 182963126 /nfs/dbraw/zinc/96/31/26/182963126.db2.gz FBPGAWABXWMRAR-OAHLLOKOSA-N 0 0 216.305 2.994 50 0 BFAARN O=c1c2ccccc2ncn1-c1ccc(F)cc1 ZINC000000291635 182989030 /nfs/dbraw/zinc/98/90/30/182989030.db2.gz LSQZIWQWHAXRQM-UHFFFAOYSA-N 0 0 240.237 2.525 50 0 BFAARN O=c1[nH]c2ccccc2nc1-c1cccs1 ZINC000008763044 182976389 /nfs/dbraw/zinc/97/63/89/182976389.db2.gz PWIKCZVHLJFOFW-UHFFFAOYSA-N 0 0 228.276 2.652 50 0 BFAARN O=c1nc[nH]c2sc(-c3ccccc3)cc21 ZINC000008677675 182979915 /nfs/dbraw/zinc/97/99/15/182979915.db2.gz DOGYRNXYBVJXFA-UHFFFAOYSA-N 0 0 228.276 2.652 50 0 BFAARN OC1CC(c2ccc(Br)cc2)C1 ZINC000037461723 183027068 /nfs/dbraw/zinc/02/70/68/183027068.db2.gz DUZJORQWSPNAKY-UHFFFAOYSA-N 0 0 227.101 2.687 50 0 BFAARN O=c1sccn1Cc1sccc1Cl ZINC000253393441 183014205 /nfs/dbraw/zinc/01/42/05/183014205.db2.gz IUKRIDKLMZXYQQ-UHFFFAOYSA-N 0 0 231.729 2.673 50 0 BFAARN OC1/C(=C/c2ccc[nH]2)CC/C1=C\c1ccc[nH]1 ZINC000025756907 183024221 /nfs/dbraw/zinc/02/42/21/183024221.db2.gz IEMNBZAPPFEBKJ-WGDLNXRISA-N 0 0 240.306 2.965 50 0 BFAARN OC1(c2nc(-c3cccs3)no2)CCCC1 ZINC000188008473 183025161 /nfs/dbraw/zinc/02/51/61/183025161.db2.gz AHBWLQXEFYXDAH-UHFFFAOYSA-N 0 0 236.296 2.560 50 0 BFAARN OC1C(Cl)(Cl)CCCC1(Cl)Cl ZINC000003861358 183025833 /nfs/dbraw/zinc/02/58/33/183025833.db2.gz RORBTKDJFQCFMD-UHFFFAOYSA-N 0 0 237.941 2.879 50 0 BFAARN O=C1C[C@H](c2ccccc2F)c2c[nH]nc2N1 ZINC000020721958 183025837 /nfs/dbraw/zinc/02/58/37/183025837.db2.gz ZAMMBGLWLJIGGK-MRVPVSSYSA-N 0 0 231.230 2.672 50 0 BFAARN OCCCSc1ccncc1NC1CCC1 ZINC000134707722 183063157 /nfs/dbraw/zinc/06/31/57/183063157.db2.gz GRFZUCDSIZANMV-UHFFFAOYSA-N 0 0 238.356 2.521 50 0 BFAARN OCCCc1ccc(Cl)c(Cl)c1 ZINC000044396181 183065136 /nfs/dbraw/zinc/06/51/36/183065136.db2.gz SMFPSLHLQXSDGJ-UHFFFAOYSA-N 0 0 205.084 2.918 50 0 BFAARN CCCC[C@H](C)C(=O)NCCc1ccc(C)nc1 ZINC000225734147 168981342 /nfs/dbraw/zinc/98/13/42/168981342.db2.gz SQYOABZYDGFGII-LBPRGKRZSA-N 0 0 248.370 2.875 50 0 BFAARN CCCC[C@H](CC)C(=O)CC1OCCO1 ZINC000085652316 168993042 /nfs/dbraw/zinc/99/30/42/168993042.db2.gz PPQATRSRSKGKMI-JTQLQIEISA-N 0 0 214.305 2.535 50 0 BFAARN OCCSc1nc(-c2ccccc2)cs1 ZINC000040488712 183089763 /nfs/dbraw/zinc/08/97/63/183089763.db2.gz BADRVJRYSNKWHA-UHFFFAOYSA-N 0 0 237.349 2.895 50 0 BFAARN OC[C@@H](Oc1ccccc1)c1ccccc1 ZINC000004824058 183114277 /nfs/dbraw/zinc/11/42/77/183114277.db2.gz NXTGLBMUSIXDDI-CQSZACIVSA-N 0 0 214.264 2.799 50 0 BFAARN OC[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000062720177 183131796 /nfs/dbraw/zinc/13/17/96/183131796.db2.gz HNPYNZPAPFEJFT-WPRPVWTQSA-N 0 0 227.101 2.545 50 0 BFAARN CCCCc1ccc(C(=O)CC2OCCO2)cc1 ZINC000085652212 169019027 /nfs/dbraw/zinc/01/90/27/169019027.db2.gz XPZUJCHCWTWYMD-UHFFFAOYSA-N 0 0 248.322 2.975 50 0 BFAARN CCCCc1ccc(C(=O)C(=O)OCC)cc1 ZINC000004255729 169019529 /nfs/dbraw/zinc/01/95/29/169019529.db2.gz BZIQPQASSBKVPG-UHFFFAOYSA-N 0 0 234.295 2.775 50 0 BFAARN CCCCc1nnc(-c2ccc(C=O)cc2)o1 ZINC000071789966 169027140 /nfs/dbraw/zinc/02/71/40/169027140.db2.gz VKYAZDXRAUCPES-UHFFFAOYSA-N 0 0 230.267 2.892 50 0 BFAARN CCCN(C(=O)[C@@H]1CCCO1)c1cccc(C)c1 ZINC000009196909 169044811 /nfs/dbraw/zinc/04/48/11/169044811.db2.gz AFDQNCVYDXOMRC-AWEZNQCLSA-N 0 0 247.338 2.917 50 0 BFAARN CCCCn1nc(CC(C)C)c2c1nc[nH]c2=O ZINC000299803976 169038338 /nfs/dbraw/zinc/03/83/38/169038338.db2.gz OIGBLUMFIVEPDU-UHFFFAOYSA-N 0 0 248.330 2.531 50 0 BFAARN OC[C@]12c3ccccc3[C@@H]3c4ccccc4[C@H]1[C@@H]32 ZINC000001557291 183159218 /nfs/dbraw/zinc/15/92/18/183159218.db2.gz HUSHTEIJWWUKCO-NXOAAHMSSA-N 0 0 234.298 2.789 50 0 BFAARN O[C@@H](CNc1ccccc1)c1ccccc1 ZINC000026719589 183181696 /nfs/dbraw/zinc/18/16/96/183181696.db2.gz GGMOJBRNGQDSQN-AWEZNQCLSA-N 0 0 213.280 2.832 50 0 BFAARN OCc1cccc(-c2ncnc3sccc32)c1 ZINC000032587300 183167656 /nfs/dbraw/zinc/16/76/56/183167656.db2.gz ZMJMTMGOSFABRM-UHFFFAOYSA-N 0 0 242.303 2.851 50 0 BFAARN OCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000004219227 183170560 /nfs/dbraw/zinc/17/05/60/183170560.db2.gz ZOSBOTQZFNDFLE-UHFFFAOYSA-N 0 0 233.214 2.807 50 0 BFAARN O[C@@H]1CCCCCCCCCC[C@H]1O ZINC000004773230 183187043 /nfs/dbraw/zinc/18/70/43/183187043.db2.gz HAMFVYJFVXTJCJ-VXGBXAGGSA-N 0 0 200.322 2.623 50 0 BFAARN O[C@@H]1CCCCc2ccc(cc2)CCCC[C@H]1O ZINC000004795137 183192430 /nfs/dbraw/zinc/19/24/30/183192430.db2.gz JXIHXAVCJYWKDJ-HZPDHXFCSA-N 0 0 248.366 2.848 50 0 BFAARN O[C@H]1c2ccccc2[C@@H]2[C@@H]1c1ccccc1[C@H]2O ZINC000017191210 183215074 /nfs/dbraw/zinc/21/50/74/183215074.db2.gz ZHODMXFAYOBKEZ-SYMSYNOKSA-N 0 0 238.286 2.648 50 0 BFAARN O[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000042405573 183242155 /nfs/dbraw/zinc/24/21/55/183242155.db2.gz BOTGRKVUUXJWSQ-VIFPVBQESA-N 0 0 218.174 2.565 50 0 BFAARN Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1 ZINC000013125358 183265657 /nfs/dbraw/zinc/26/56/57/183265657.db2.gz YLNSYKWQBPIKTR-UHFFFAOYSA-N 0 0 249.273 2.911 50 0 BFAARN Oc1ccc(-c2nc3ncccc3o2)cc1 ZINC000096345781 183265699 /nfs/dbraw/zinc/26/56/99/183265699.db2.gz CUEWIYQRPWLLMC-UHFFFAOYSA-N 0 0 212.208 2.595 50 0 BFAARN Oc1ccc(Br)c2cccnc12 ZINC000011535743 183266914 /nfs/dbraw/zinc/26/69/14/183266914.db2.gz WIIUANWSGSTCLG-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN Oc1ccc(C[C@H]2COc3ccccc3C2)nc1 ZINC000091746109 183271631 /nfs/dbraw/zinc/27/16/31/183271631.db2.gz WFJCDHPVAYLBCS-NSHDSACASA-N 0 0 241.290 2.581 50 0 BFAARN O=c1cc(C23CC4CC(CC(C4)C2)C3)[nH][nH]1 ZINC000004453037 183256892 /nfs/dbraw/zinc/25/68/92/183256892.db2.gz CHJGAHNSRIUOMJ-UHFFFAOYSA-N 0 0 218.300 2.583 50 0 BFAARN Oc1cc(-n2cccc2)c(F)cc1Cl ZINC000000170097 183257563 /nfs/dbraw/zinc/25/75/63/183257563.db2.gz DTSJUZKIJJZXCD-UHFFFAOYSA-N 0 0 211.623 2.975 50 0 BFAARN Oc1cc(OC(F)(F)F)ccc1Cl ZINC000090413227 183260405 /nfs/dbraw/zinc/26/04/05/183260405.db2.gz UKASVHZCKSRNNA-UHFFFAOYSA-N 0 0 212.554 2.944 50 0 BFAARN CCCN(CCC)C(=O)c1cccc(N)c1 ZINC000012403825 169145780 /nfs/dbraw/zinc/14/57/80/169145780.db2.gz PNWNMGKRCWKXDR-UHFFFAOYSA-N 0 0 220.316 2.531 50 0 BFAARN Oc1ccc(-c2cn3ccsc3n2)cc1 ZINC000003078186 183263994 /nfs/dbraw/zinc/26/39/94/183263994.db2.gz CUFPGQXVRGWHOQ-UHFFFAOYSA-N 0 0 216.265 2.768 50 0 BFAARN O=c1ccc2cc(C(F)(F)F)c[nH]c-2c1 ZINC000238668620 183284311 /nfs/dbraw/zinc/28/43/11/183284311.db2.gz NOJXIJQJMUICLV-UHFFFAOYSA-N 0 0 213.158 2.959 50 0 BFAARN Oc1ccccc1-c1cc(C(F)F)on1 ZINC000000236363 183298819 /nfs/dbraw/zinc/29/88/19/183298819.db2.gz ZWYYHFHVMODCLP-UHFFFAOYSA-N 0 0 211.167 2.985 50 0 BFAARN [O-][n+]1cccc(CCc2cccc(Cl)c2)c1 ZINC000022054805 183319255 /nfs/dbraw/zinc/31/92/55/183319255.db2.gz ZELCJWGXNLFDPT-UHFFFAOYSA-N 0 0 233.698 2.759 50 0 in-vitro BFAARN c1cc(-c2nc([C@H]3CCCCCN3)no2)co1 ZINC000096001559 183330305 /nfs/dbraw/zinc/33/03/05/183330305.db2.gz CHNOJUDWMFDQRC-SNVBAGLBSA-N 0 0 233.271 2.534 50 0 BFAARN O=c1nc2ccc(Cl)cc2c(C2CC2)[nH]1 ZINC000030678115 183308274 /nfs/dbraw/zinc/30/82/74/183308274.db2.gz MKYOBEYCYMHIKA-UHFFFAOYSA-N 0 0 220.659 2.866 50 0 BFAARN S=C1N=C2CCCC2[C@@H](c2ccccc2)N1 ZINC000005604244 183312283 /nfs/dbraw/zinc/31/22/83/183312283.db2.gz ZXIJWZFGSVHPCH-GFCCVEGCSA-N 0 0 230.336 2.643 50 0 BFAARN S=C(c1cccs1)N1CCCCC1 ZINC000015782204 183312426 /nfs/dbraw/zinc/31/24/26/183312426.db2.gz JEOFPHBXVCIDFG-UHFFFAOYSA-N 0 0 211.355 2.910 50 0 BFAARN S=C1NC2(CCCCC2)NN1c1ccccc1 ZINC000018094189 183312530 /nfs/dbraw/zinc/31/25/30/183312530.db2.gz MUADWFSXXPVRAV-UHFFFAOYSA-N 0 0 247.367 2.546 50 0 BFAARN CCCNC(=O)c1csc2c1CCCC2 ZINC000033809803 169253551 /nfs/dbraw/zinc/25/35/51/169253551.db2.gz KRAQAZNPOPGGJG-UHFFFAOYSA-N 0 0 223.341 2.767 50 0 BFAARN CCCNC(=O)N1CC=C(c2ccccc2)CC1 ZINC000002840805 169234876 /nfs/dbraw/zinc/23/48/76/169234876.db2.gz WQIDTCBVPBUWMI-UHFFFAOYSA-N 0 0 244.338 2.895 50 0 BFAARN CCCNC(=O)N1CCn2cccc2[C@@H]1C(C)C ZINC000009528250 169235255 /nfs/dbraw/zinc/23/52/55/169235255.db2.gz ATILTENEZPAOIF-ZDUSSCGKSA-N 0 0 249.358 2.620 50 0 BFAARN CCCNC(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000013321250 169238840 /nfs/dbraw/zinc/23/88/40/169238840.db2.gz RBQURYMAUYGLIZ-NSHDSACASA-N 0 0 220.316 2.765 50 0 BFAARN CCCNC(=O)Nc1ccc(C)c(C)c1 ZINC000002171770 169239956 /nfs/dbraw/zinc/23/99/56/169239956.db2.gz HJINEDURJBTGJQ-UHFFFAOYSA-N 0 0 206.289 2.835 50 0 BFAARN CCCNC(=O)Nc1ccccc1Cl ZINC000002161688 169240445 /nfs/dbraw/zinc/24/04/45/169240445.db2.gz GQBSGNIQFNLAGT-UHFFFAOYSA-N 0 0 212.680 2.872 50 0 BFAARN c1cc(-c2cc(-c3ccccc3)no2)n[nH]1 ZINC000016052596 183378195 /nfs/dbraw/zinc/37/81/95/183378195.db2.gz SRSSTOPJERVMRZ-UHFFFAOYSA-N 0 0 211.224 2.732 50 0 in-vivo BFAARN c1cnn(-c2nc(-c3ccccc3)cs2)c1 ZINC000001394927 183381690 /nfs/dbraw/zinc/38/16/90/183381690.db2.gz LINVJDKMFVYYAS-UHFFFAOYSA-N 0 0 227.292 2.996 50 0 BFAARN CCCNC(=O)[C@H](C)Nc1ccc(C)cc1C ZINC000020312777 169247841 /nfs/dbraw/zinc/24/78/41/169247841.db2.gz MZYLPIFTFAWFCJ-LBPRGKRZSA-N 0 0 234.343 2.630 50 0 BFAARN c1ccc(-c2noc(N3CCCCC3)n2)cc1 ZINC000035505289 183384719 /nfs/dbraw/zinc/38/47/19/183384719.db2.gz CHBVWNNWOTUVFM-UHFFFAOYSA-N 0 0 229.283 2.727 50 0 BFAARN c1coc(-c2nc(-c3ccccc3)no2)c1 ZINC000000085208 183384852 /nfs/dbraw/zinc/38/48/52/183384852.db2.gz AINKNWCODGPLKV-UHFFFAOYSA-N 0 0 212.208 2.997 50 0 BFAARN c1ccc(-c2noc(CN3CCCCC3)n2)cc1 ZINC000008324410 183384961 /nfs/dbraw/zinc/38/49/61/183384961.db2.gz RAVKWEKARDGYPQ-UHFFFAOYSA-N 0 0 243.310 2.723 50 0 BFAARN CCCNC(=O)c1cc2cc(C)ccc2n1C ZINC000004711986 169250564 /nfs/dbraw/zinc/25/05/64/169250564.db2.gz GDIXIGDYMPIALX-UHFFFAOYSA-N 0 0 230.311 2.627 50 0 BFAARN CCCNC(=O)c1ccc(NC(=O)CCC)cc1 ZINC000004715503 169251561 /nfs/dbraw/zinc/25/15/61/169251561.db2.gz JJIWXBHVXSUHLO-UHFFFAOYSA-N 0 0 248.326 2.565 50 0 BFAARN CCCNC(=O)c1ccc(C)c(-n2cccc2)c1 ZINC000022241403 169251889 /nfs/dbraw/zinc/25/18/89/169251889.db2.gz HUDZSPSFWKHMQR-UHFFFAOYSA-N 0 0 242.322 2.926 50 0 BFAARN CCCNC(=O)c1cccc(C(F)(F)F)c1 ZINC000003134516 169252450 /nfs/dbraw/zinc/25/24/50/169252450.db2.gz OPQNVKBIBGFOCD-UHFFFAOYSA-N 0 0 231.217 2.845 50 0 BFAARN CCCNC(=O)c1cccc(Br)c1 ZINC000004814233 169252549 /nfs/dbraw/zinc/25/25/49/169252549.db2.gz BNLCNTGICCHYNX-UHFFFAOYSA-N 0 0 242.116 2.589 50 0 BFAARN CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2C ZINC000002761700 169252787 /nfs/dbraw/zinc/25/27/87/169252787.db2.gz LVCSIMPSMOMEBR-UHFFFAOYSA-N 0 0 244.338 2.935 50 0 BFAARN CCCNC(=O)c1csc(-c2ccccc2)n1 ZINC000016639808 169253351 /nfs/dbraw/zinc/25/33/51/169253351.db2.gz WCLWCBOILFJLAX-UHFFFAOYSA-N 0 0 246.335 2.950 50 0 BFAARN c1ccc(C2=NCCN3[C@H](c4ccccc4)[C@@H]23)cc1 ZINC000034857979 183389570 /nfs/dbraw/zinc/38/95/70/183389570.db2.gz QVPANXFAXRPUEK-QNZPCDNOSA-N 0 0 248.329 2.915 50 0 BFAARN c1ccc(CCc2noc([C@H]3CCCO3)n2)cc1 ZINC000065395155 183394545 /nfs/dbraw/zinc/39/45/45/183394545.db2.gz CVAFHVXPCFJTEY-GFCCVEGCSA-N 0 0 244.294 2.706 50 0 BFAARN c1ccc(CNc2nnc(C3CC3)o2)cc1 ZINC000095976659 183406782 /nfs/dbraw/zinc/40/67/82/183406782.db2.gz HMIBWKSSZWOBLV-UHFFFAOYSA-N 0 0 215.256 2.559 50 0 BFAARN c1[nH]nc2ccc(NCc3ccccn3)cc12 ZINC000023283272 183406973 /nfs/dbraw/zinc/40/69/73/183406973.db2.gz CJURBDHIEJXZMJ-UHFFFAOYSA-N 0 0 224.267 2.570 50 0 BFAARN c1ccc(Cc2noc(-c3ccncc3)n2)cc1 ZINC000069846160 183412529 /nfs/dbraw/zinc/41/25/29/183412529.db2.gz AFFHQUHBWKBUCS-UHFFFAOYSA-N 0 0 237.262 2.722 50 0 BFAARN CCCOC(=O)c1c[nH]c2ccccc21 ZINC000022975788 169300375 /nfs/dbraw/zinc/30/03/75/169300375.db2.gz NIFJDURIIDDXPM-UHFFFAOYSA-N 0 0 203.241 2.735 50 0 BFAARN CCCOC(=O)c1csc(-c2ccccn2)n1 ZINC000097000372 169301246 /nfs/dbraw/zinc/30/12/46/169301246.db2.gz HEEQCASSWAUHME-UHFFFAOYSA-N 0 0 248.307 2.772 50 0 BFAARN CCCOCCOc1c(N)cccc1Cl ZINC000014629232 169310146 /nfs/dbraw/zinc/31/01/46/169310146.db2.gz FGXYVHMJJMTAQN-UHFFFAOYSA-N 0 0 229.707 2.728 50 0 BFAARN CCCOC[C@@H](C)OC(=O)c1ccccc1 ZINC000003122396 169310215 /nfs/dbraw/zinc/31/02/15/169310215.db2.gz MKFCIVQLIHXEON-LLVKDONJSA-N 0 0 222.284 2.659 50 0 BFAARN CCCOc1c(Cl)cccc1NC(=O)NC ZINC000096164626 169313978 /nfs/dbraw/zinc/31/39/78/169313978.db2.gz GWMVRORFOKBIBD-UHFFFAOYSA-N 0 0 242.706 2.880 50 0 BFAARN CCCOc1cc(O)cc(OCCC)c1 ZINC000002512416 169315671 /nfs/dbraw/zinc/31/56/71/169315671.db2.gz SHZCHGMKOUMNAW-UHFFFAOYSA-N 0 0 210.273 2.970 50 0 BFAARN CCCNc1nc(-c2ccc(OC)cc2)no1 ZINC000021922343 169295938 /nfs/dbraw/zinc/29/59/38/169295938.db2.gz MRBSSSSLWGXMIG-UHFFFAOYSA-N 0 0 233.271 2.567 50 0 BFAARN CCCSc1ccccc1-n1cnnc1 ZINC000065435894 169341662 /nfs/dbraw/zinc/34/16/62/169341662.db2.gz IKDCUGMIBSNFGH-UHFFFAOYSA-N 0 0 219.313 2.769 50 0 BFAARN c1nc2nccc(-c3ccc4ccccc4c3)n2n1 ZINC000000479986 183457263 /nfs/dbraw/zinc/45/72/63/183457263.db2.gz HYMZYJKQNNNIIT-UHFFFAOYSA-N 0 0 246.273 2.945 50 0 BFAARN CCCOc1ccccc1C1N=NC(=S)N1 ZINC000005738619 169326678 /nfs/dbraw/zinc/32/66/78/169326678.db2.gz QDTWHRLKCHCHOC-UHFFFAOYSA-N 0 0 235.312 2.549 50 0 BFAARN c1ccc2c(c1)C[C@H](c1nc(C3CC3)no1)CO2 ZINC000084579509 183449809 /nfs/dbraw/zinc/44/98/09/183449809.db2.gz VNGRXGVLRVTPNR-NSHDSACASA-N 0 0 242.278 2.666 50 0 BFAARN CCC[C@@H](C)NC(=O)Cc1ccc(F)cc1 ZINC000016970674 169367006 /nfs/dbraw/zinc/36/70/06/169367006.db2.gz FGMHRRFHKDNVGZ-SNVBAGLBSA-N 0 0 223.291 2.673 50 0 BFAARN c1cnc2c(n1)ncnc2NC1CCCCCC1 ZINC000027817877 183485215 /nfs/dbraw/zinc/48/52/15/183485215.db2.gz XVOOPCABWRVEJD-UHFFFAOYSA-N 0 0 243.314 2.555 50 0 BFAARN CCC[C@@H](C)NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000012544663 169368581 /nfs/dbraw/zinc/36/85/81/169368581.db2.gz DFYLSGOXQQUCNT-SECBINFHSA-N 0 0 247.298 2.588 50 0 BFAARN CCC[C@@H](C)NC(=O)c1ccc(F)cc1F ZINC000012552285 169368695 /nfs/dbraw/zinc/36/86/95/169368695.db2.gz GHWKVAJIQVPPPD-MRVPVSSYSA-N 0 0 227.254 2.883 50 0 BFAARN CCC[C@@H](C)NC(=O)c1ccc(OC)c(C)c1 ZINC000009140105 169369177 /nfs/dbraw/zinc/36/91/77/169369177.db2.gz PYQNHXOKTVCWKY-LLVKDONJSA-N 0 0 235.327 2.922 50 0 BFAARN CCC[C@@H](C)NC(=O)c1ccccc1F ZINC000000030365 169369234 /nfs/dbraw/zinc/36/92/34/169369234.db2.gz SHPVQOPBVAIDJD-SECBINFHSA-N 0 0 209.264 2.744 50 0 BFAARN CCC[C@@H](C)C(=O)OCCCc1ccncc1 ZINC000097044160 169354269 /nfs/dbraw/zinc/35/42/69/169354269.db2.gz WIFILABGPQGTAQ-GFCCVEGCSA-N 0 0 235.327 2.994 50 0 BFAARN CCC[C@@H](C)N(C)C(=O)Nc1nccs1 ZINC000043160041 169363186 /nfs/dbraw/zinc/36/31/86/169363186.db2.gz JVBQLIIMSQKLDF-MRVPVSSYSA-N 0 0 227.333 2.795 50 0 BFAARN CC(C)(C)OC(=O)N1CCCC2(CC2)C1 ZINC000143283613 166647477 /nfs/dbraw/zinc/64/74/77/166647477.db2.gz PKJFWXWWTQTWEG-UHFFFAOYSA-N 0 0 211.305 2.798 50 0 BFAARN CCCc1ccc(OC)c(-c2cc(N)n[nH]2)c1 ZINC000004234678 169572260 /nfs/dbraw/zinc/57/22/60/169572260.db2.gz VIYGFVHBVYUBAO-UHFFFAOYSA-N 0 0 231.299 2.620 50 0 BFAARN CCCc1nnc(NCc2ccc(C)cc2)o1 ZINC000181676624 169598538 /nfs/dbraw/zinc/59/85/38/169598538.db2.gz LWNQOGFNEQMHGH-UHFFFAOYSA-N 0 0 231.299 2.943 50 0 BFAARN CC(C)(C)SCC(=O)Nc1nccs1 ZINC000009609502 166689146 /nfs/dbraw/zinc/68/91/46/166689146.db2.gz IOXFDQHALBMXPA-UHFFFAOYSA-N 0 0 230.358 2.613 50 0 BFAARN CCCN1C(=S)N=NC1c1cccc(C)c1 ZINC000006779331 169613815 /nfs/dbraw/zinc/61/38/15/169613815.db2.gz LCVWNMQBPYGNOJ-UHFFFAOYSA-N 0 0 233.340 2.952 50 0 BFAARN CCCn1c2ccccc2c2nnc(=S)[nH]c21 ZINC000017744171 169614941 /nfs/dbraw/zinc/61/49/41/169614941.db2.gz VKBHDEMYBUCXJW-UHFFFAOYSA-N 0 0 244.323 2.678 50 0 BFAARN CCN(C(=O)[C@@H]1C[C@H]1C)c1ccc(F)cc1 ZINC000058324179 169650947 /nfs/dbraw/zinc/65/09/47/169650947.db2.gz IVHZQQIIQOLEKG-BXKDBHETSA-N 0 0 221.275 2.835 50 0 BFAARN Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000000105284 383826987 /nfs/dbraw/zinc/82/69/87/383826987.db2.gz NZRHOWNFGASHMN-UHFFFAOYSA-N 0 0 248.289 2.788 50 0 BFAARN CCN(CC)c1ccc2ccc(=O)oc2c1 ZINC000000058059 383821013 /nfs/dbraw/zinc/82/10/13/383821013.db2.gz QXAMGWKESXGGNV-UHFFFAOYSA-N 0 0 217.268 2.639 50 0 BFAARN Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000034978989 383822398 /nfs/dbraw/zinc/82/23/98/383822398.db2.gz OWYRSIQJIFJFIV-UHFFFAOYSA-N 0 0 238.088 2.543 50 0 BFAARN CCc1cccc(C)c1NC1=NCCC(=O)S1 ZINC000000090407 383824113 /nfs/dbraw/zinc/82/41/13/383824113.db2.gz WDWGDJDKFUODKJ-UHFFFAOYSA-N 0 0 248.351 2.989 50 0 BFAARN CC1(C)C(=O)O[C@H](c2ccccc2)C(C)(C)C1=O ZINC000000085920 383824944 /nfs/dbraw/zinc/82/49/44/383824944.db2.gz ZQVPXIQBPCOQJJ-LLVKDONJSA-N 0 0 246.306 2.906 50 0 BFAARN O=C1c2ccccc2-c2nc3ccccc3nc21 ZINC000000097680 383826463 /nfs/dbraw/zinc/82/64/63/383826463.db2.gz GUGBQOJXKJAMTE-UHFFFAOYSA-N 0 0 232.242 2.841 50 0 BFAARN FC(F)(F)c1cccc(-n2ccnc2)c1 ZINC000000160385 383835793 /nfs/dbraw/zinc/83/57/93/383835793.db2.gz KZVUPVJLOACZIL-UHFFFAOYSA-N 0 0 212.174 2.891 50 0 BFAARN Cc1c(CC(=O)N(C)C)sc2ccccc12 ZINC000000172248 383839149 /nfs/dbraw/zinc/83/91/49/383839149.db2.gz VFSMLEAERGPJDI-UHFFFAOYSA-N 0 0 233.336 2.840 50 0 BFAARN NC(=S)c1cccc(Cl)c1Cl ZINC000000166015 383839514 /nfs/dbraw/zinc/83/95/14/383839514.db2.gz PRRMJTDPKZBCCQ-UHFFFAOYSA-N 0 0 206.097 2.628 50 0 BFAARN C[C@@H]1[C@H](C)OCCN1C(=O)C1CCCCCC1 ZINC000095967979 383841926 /nfs/dbraw/zinc/84/19/26/383841926.db2.gz LDQFGXJJMPERDS-NEPJUHHUSA-N 0 0 239.359 2.593 50 0 BFAARN Nc1nnc(CSCc2ccccc2)s1 ZINC000000183408 383842875 /nfs/dbraw/zinc/84/28/75/383842875.db2.gz JCGQNFWTTJESBB-UHFFFAOYSA-N 0 0 237.353 2.554 50 0 BFAARN Cc1cc(C)n(C(=O)COc2ccc(C)cc2)n1 ZINC000000210804 383844077 /nfs/dbraw/zinc/84/40/77/383844077.db2.gz XKNHJFNUEUVAJJ-UHFFFAOYSA-N 0 0 244.294 2.528 50 0 BFAARN COC(=O)c1ccccc1-c1ccc(C=O)o1 ZINC000000238071 383844617 /nfs/dbraw/zinc/84/46/17/383844617.db2.gz BTPZHXDOZOEYNQ-UHFFFAOYSA-N 0 0 230.219 2.546 50 0 BFAARN O=C1OC(c2ccco2)=N/C1=C/c1ccccc1 ZINC000000292990 383850628 /nfs/dbraw/zinc/85/06/28/383850628.db2.gz DGCSPWXMYPBBSW-PKNBQFBNSA-N 0 0 239.230 2.624 50 0 BFAARN CCc1ccccc1NC(=O)c1ccncc1 ZINC000000290762 383852018 /nfs/dbraw/zinc/85/20/18/383852018.db2.gz DEWLCICBHFMNOZ-UHFFFAOYSA-N 0 0 226.279 2.896 50 0 BFAARN O=C(/C=C/c1ccccc1)Nc1cccnc1 ZINC000000344726 383856814 /nfs/dbraw/zinc/85/68/14/383856814.db2.gz LIKDGODLSLTXFU-CMDGGOBGSA-N 0 0 224.263 2.734 50 0 BFAARN Cc1ccc(C)c(OC(=O)c2ccncc2)c1 ZINC000000338718 383856890 /nfs/dbraw/zinc/85/68/90/383856890.db2.gz MMVMRVVLUMIUAF-UHFFFAOYSA-N 0 0 227.263 2.918 50 0 BFAARN Cc1ccc(OC(=O)COc2ccccc2)cc1 ZINC000000363401 383860125 /nfs/dbraw/zinc/86/01/25/383860125.db2.gz IBLQVARQXQONFX-UHFFFAOYSA-N 0 0 242.274 2.979 50 0 BFAARN C[C@H](c1ccccc1)N1CCC(=O)C[C@@H]1C ZINC000066351867 383861735 /nfs/dbraw/zinc/86/17/35/383861735.db2.gz XOGIRAQPVLKDBV-NWDGAFQWSA-N 0 0 217.312 2.801 50 0 BFAARN COc1ccc(Cn2nc(C)cc2C)cc1OC ZINC000000393309 383861712 /nfs/dbraw/zinc/86/17/12/383861712.db2.gz CIYDNTGSCGFZQS-UHFFFAOYSA-N 0 0 246.310 2.565 50 0 BFAARN Cc1ccc(C)c(NC(=O)c2ccncc2)c1 ZINC000000388030 383861729 /nfs/dbraw/zinc/86/17/29/383861729.db2.gz DCAXSXXMJJNHKP-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1ccc(C)c(CNC(=O)NC(C)(C)C)c1 ZINC000000398724 383864672 /nfs/dbraw/zinc/86/46/72/383864672.db2.gz JTXRGHVTOUBDMG-UHFFFAOYSA-N 0 0 234.343 2.901 50 0 BFAARN CC(=O)Nc1ccc(Br)cc1C ZINC000000409863 383866482 /nfs/dbraw/zinc/86/64/82/383866482.db2.gz IJZSFOIZVXCSFP-UHFFFAOYSA-N 0 0 228.089 2.716 50 0 BFAARN CC(=O)Cc1nsc(Nc2ccc(C)cc2)n1 ZINC000000414008 383866729 /nfs/dbraw/zinc/86/67/29/383866729.db2.gz GNVDDGNHAHAHCY-UHFFFAOYSA-N 0 0 247.323 2.722 50 0 BFAARN CC(C)CNC(=O)CSc1ccccc1 ZINC000000443818 383868149 /nfs/dbraw/zinc/86/81/49/383868149.db2.gz UPLQNKCYNLRKAT-UHFFFAOYSA-N 0 0 223.341 2.551 50 0 BFAARN Cc1cc(C)c(C)c(OCC(=O)N2CCCC2)c1 ZINC000000461023 383868818 /nfs/dbraw/zinc/86/88/18/383868818.db2.gz FBIHAYVIQPUCMY-UHFFFAOYSA-N 0 0 247.338 2.613 50 0 BFAARN CCC[C@H](C)NC(=O)c1ccc(N(C)C)cc1 ZINC000000441758 383870014 /nfs/dbraw/zinc/87/00/14/383870014.db2.gz NDBWOJGRXJSTER-NSHDSACASA-N 0 0 234.343 2.671 50 0 BFAARN OCC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1 ZINC000000757328 383880943 /nfs/dbraw/zinc/88/09/43/383880943.db2.gz JUWIHHKKOXDMDU-FSNWXROXSA-N 0 0 245.366 2.937 50 0 BFAARN COc1ccc(CCNC(=O)C2CCCC2)cc1 ZINC000000474596 383871528 /nfs/dbraw/zinc/87/15/28/383871528.db2.gz QEMCFQXPNLMOPB-UHFFFAOYSA-N 0 0 247.338 2.544 50 0 BFAARN O=Cc1cccc(OC(=O)c2cccc(F)c2)c1 ZINC000000565997 383873974 /nfs/dbraw/zinc/87/39/74/383873974.db2.gz YUPHYVTYCFDIBD-UHFFFAOYSA-N 0 0 244.221 2.857 50 0 BFAARN Cc1ccc(C)c(C(=O)NC(C)(C)C)c1 ZINC000000514726 383874225 /nfs/dbraw/zinc/87/42/25/383874225.db2.gz ZIRFIVHCFGYUQX-UHFFFAOYSA-N 0 0 205.301 2.832 50 0 BFAARN Cc1n[nH]c(C)c1NC(=S)Nc1ccccc1 ZINC000000612784 383877061 /nfs/dbraw/zinc/87/70/61/383877061.db2.gz UFUNUJNHBLFDTF-UHFFFAOYSA-N 0 0 246.339 2.835 50 0 BFAARN CC(=O)c1cccc(NC(=O)N2CCCC2)c1 ZINC000000610789 383878223 /nfs/dbraw/zinc/87/82/23/383878223.db2.gz ZRUCPFIYWKTQCW-UHFFFAOYSA-N 0 0 232.283 2.517 50 0 BFAARN CC(=O)Nc1ccccc1C(F)(F)F ZINC000000126903 383830655 /nfs/dbraw/zinc/83/06/55/383830655.db2.gz OXDTZGRSCDEKGO-UHFFFAOYSA-N 0 0 203.163 2.664 50 0 BFAARN NC(=S)c1ccc(Cl)cc1Cl ZINC000000121126 383830723 /nfs/dbraw/zinc/83/07/23/383830723.db2.gz WDNBLWURITYPQL-UHFFFAOYSA-N 0 0 206.097 2.628 50 0 BFAARN C[C@@H](NC(=O)NC(C)(C)C)c1ccccc1 ZINC000000136897 383832287 /nfs/dbraw/zinc/83/22/87/383832287.db2.gz GINDCBFYEUWKKJ-SNVBAGLBSA-N 0 0 220.316 2.845 50 0 BFAARN CS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000000138587 383833284 /nfs/dbraw/zinc/83/32/84/383833284.db2.gz YQGFLUVOLNGRET-UHFFFAOYSA-N 0 0 239.123 2.538 50 0 BFAARN C[C@H](NC(=O)NC(C)(C)C)c1ccccc1 ZINC000000136896 383833620 /nfs/dbraw/zinc/83/36/20/383833620.db2.gz GINDCBFYEUWKKJ-JTQLQIEISA-N 0 0 220.316 2.845 50 0 BFAARN CCC[C@H](C)[N@@H+]1Cc2cccc(N)c2C1 ZINC000036683509 383906748 /nfs/dbraw/zinc/90/67/48/383906748.db2.gz WUXZIMTVPUKZAI-JTQLQIEISA-N 0 0 204.317 2.773 50 0 BFAARN FC(F)(F)c1cc(Cl)nc(Cl)n1 ZINC000001578214 383907531 /nfs/dbraw/zinc/90/75/31/383907531.db2.gz ZTNFYAJHLPMNSN-UHFFFAOYSA-N 0 0 216.977 2.802 50 0 BFAARN CC(=O)[C@H](C)c1nc2ccccc2s1 ZINC000001665935 383917436 /nfs/dbraw/zinc/91/74/36/383917436.db2.gz ZZDKCNNIPGACNK-ZETCQYMHSA-N 0 0 205.282 2.989 50 0 BFAARN CC(C)(Br)C(=O)Nc1ccccc1 ZINC000001680007 383920452 /nfs/dbraw/zinc/92/04/52/383920452.db2.gz PLMADUFDYDHKTB-UHFFFAOYSA-N 0 0 242.116 2.799 50 0 BFAARN CS(=O)(=O)N(c1ccccc1)c1ccccc1 ZINC000001705832 383925637 /nfs/dbraw/zinc/92/56/37/383925637.db2.gz RMNOKXFIWFIIJU-UHFFFAOYSA-N 0 0 247.319 2.784 50 0 BFAARN CC(C)(C)OC(=O)Nc1cc(F)ccc1N ZINC000089065085 383929696 /nfs/dbraw/zinc/92/96/96/383929696.db2.gz FELBQUPQCJZQQX-UHFFFAOYSA-N 0 0 226.251 2.755 50 0 BFAARN O=C([C@H]1CC=CCC1)N1CCCCCC1 ZINC000001733493 383931164 /nfs/dbraw/zinc/93/11/64/383931164.db2.gz FKSRKZXBQQILCD-LBPRGKRZSA-N 0 0 207.317 2.745 50 0 BFAARN CC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000001749850 383932905 /nfs/dbraw/zinc/93/29/05/383932905.db2.gz OJGOOCTVMHMAQB-UHFFFAOYSA-N 0 0 219.067 2.961 50 0 BFAARN C[C@@H](NC(=O)c1ccccc1O)c1ccccc1 ZINC000000859918 383883728 /nfs/dbraw/zinc/88/37/28/383883728.db2.gz XCKFSPDEIVZBOH-LLVKDONJSA-N 0 0 241.290 2.883 50 0 BFAARN C[C@H](NC(=O)c1ccccc1O)c1ccccc1 ZINC000000859916 383883750 /nfs/dbraw/zinc/88/37/50/383883750.db2.gz XCKFSPDEIVZBOH-NSHDSACASA-N 0 0 241.290 2.883 50 0 BFAARN c1coc(C[NH2+][C@H]2CCN(c3ccccc3)C2)c1 ZINC000071882469 383887776 /nfs/dbraw/zinc/88/77/76/383887776.db2.gz XGGKMXYGRYOXGM-ZDUSSCGKSA-N 0 0 242.322 2.648 50 0 BFAARN C[C@@H](NC(=O)c1cccs1)C(C)(C)C ZINC000001055229 383887869 /nfs/dbraw/zinc/88/78/69/383887869.db2.gz SBSVVFJNWGTYIP-MRVPVSSYSA-N 0 0 211.330 2.913 50 0 BFAARN Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)no1 ZINC000001052268 383888328 /nfs/dbraw/zinc/88/83/28/383888328.db2.gz JLJSPHDPVYYNEM-UHFFFAOYSA-N 0 0 242.278 2.724 50 0 BFAARN CC(=O)N1CC(C)(C)Sc2ccccc21 ZINC000088241229 383889856 /nfs/dbraw/zinc/88/98/56/383889856.db2.gz RETJDZWGFMIQCB-UHFFFAOYSA-N 0 0 221.325 2.924 50 0 BFAARN COc1ccc(Nc2cccc3nonc32)cc1 ZINC000000194996 383892395 /nfs/dbraw/zinc/89/23/95/383892395.db2.gz NPZPREHFSTUICN-UHFFFAOYSA-N 0 0 241.250 2.975 50 0 BFAARN Cc1ccnc(-c2nc3ccccc3[nH]2)c1 ZINC000001269718 383893367 /nfs/dbraw/zinc/89/33/67/383893367.db2.gz MGBRKEZZOSQHQO-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN COC(=O)/C=C/c1oc2ccccc2c1C ZINC000001392012 383896084 /nfs/dbraw/zinc/89/60/84/383896084.db2.gz SDMBVFSLDAVEQI-BQYQJAHWSA-N 0 0 216.236 2.927 50 0 BFAARN COC(=O)/C=C/c1cccc(Br)c1 ZINC000001396161 383896651 /nfs/dbraw/zinc/89/66/51/383896651.db2.gz GPBINNSHRSTZQE-AATRIKPKSA-N 0 0 241.084 2.635 50 0 BFAARN O=Cc1cccc(OC(=O)c2cccs2)c1 ZINC000002597499 383980492 /nfs/dbraw/zinc/98/04/92/383980492.db2.gz MRHAYCPNBNXLKP-UHFFFAOYSA-N 0 0 232.260 2.780 50 0 BFAARN Cc1ccc2cccc(C(=O)N3CCCC3)c2n1 ZINC000089665938 383983980 /nfs/dbraw/zinc/98/39/80/383983980.db2.gz LNGNZPZRTGNRFV-UHFFFAOYSA-N 0 0 240.306 2.779 50 0 BFAARN Cc1ccc(C)c(NC(=O)CN2CCCCC2)c1 ZINC000002883823 383989014 /nfs/dbraw/zinc/98/90/14/383989014.db2.gz CGIDNZNCGMJVGR-UHFFFAOYSA-N 0 0 246.354 2.728 50 0 BFAARN c1[nH]nc2ccc(NC[C@H]3CCC=CO3)cc12 ZINC000050268331 383990728 /nfs/dbraw/zinc/99/07/28/383990728.db2.gz GHGFCMNPYOAAEJ-GFCCVEGCSA-N 0 0 229.283 2.668 50 0 BFAARN COC(=O)c1cc(-c2ccccc2Cl)no1 ZINC000000266334 383994493 /nfs/dbraw/zinc/99/44/93/383994493.db2.gz BQAPNLLNXHOVRR-UHFFFAOYSA-N 0 0 237.642 2.782 50 0 BFAARN OCc1ccccc1NC1CCCCC1 ZINC000037133795 383944553 /nfs/dbraw/zinc/94/45/53/383944553.db2.gz LAJAQHGRIOIMGK-UHFFFAOYSA-N 0 0 205.301 2.924 50 0 BFAARN Cc1ncc(Br)c2cc[nH]c21 ZINC000089213006 383949526 /nfs/dbraw/zinc/94/95/26/383949526.db2.gz MXEZWCFWFMUGQV-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN CCCC=Cc1ccc(-c2nn[nH]n2)cc1 ZINC000067869115 383952862 /nfs/dbraw/zinc/95/28/62/383952862.db2.gz GEEBVDHOKRXVII-SNAWJCMRSA-N 0 0 214.272 2.680 50 0 BFAARN CC(C)(C)OC(=O)C(Cl)(Cl)Cl ZINC000002162097 383953209 /nfs/dbraw/zinc/95/32/09/383953209.db2.gz YROVKSCEXQTHTJ-UHFFFAOYSA-N 0 0 219.495 2.698 50 0 BFAARN COC(=O)c1cccc(C)c1Br ZINC000002516931 383968873 /nfs/dbraw/zinc/96/88/73/383968873.db2.gz QAOFGUXVDAZKBW-UHFFFAOYSA-N 0 0 229.073 2.544 50 0 BFAARN CC(=O)Cc1ccccc1Br ZINC000002518628 383969930 /nfs/dbraw/zinc/96/99/30/383969930.db2.gz TZIAZLUAMDLDJF-UHFFFAOYSA-N 0 0 213.074 2.581 50 0 in-vitro BFAARN C[NH+](C)C1(C(=O)[O-])CCC(c2ccccc2)CC1 ZINC000037357578 383971453 /nfs/dbraw/zinc/97/14/53/383971453.db2.gz CEAIWOBEBRARAC-UHFFFAOYSA-N 0 0 247.338 2.729 50 0 BFAARN Cc1[nH]ccc1C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000089536762 383976403 /nfs/dbraw/zinc/97/64/03/383976403.db2.gz KQJGJQVQFKVYOW-WCQYABFASA-N 0 0 232.327 2.728 50 0 BFAARN O=Cc1ccc(N2CCCCCC2)cc1 ZINC000003389681 384007808 /nfs/dbraw/zinc/00/78/08/384007808.db2.gz MIMHJRMSIZFETH-UHFFFAOYSA-N 0 0 203.285 2.880 50 0 BFAARN c1ccc(N[C@H]2CCN(c3ccccn3)C2)cc1 ZINC000071899574 384044743 /nfs/dbraw/zinc/04/47/43/384044743.db2.gz CBRUBVMDRAGESN-AWEZNQCLSA-N 0 0 239.322 2.772 50 0 BFAARN O=Cc1cnc(-c2cccc(F)c2)s1 ZINC000004204435 384045390 /nfs/dbraw/zinc/04/53/90/384045390.db2.gz DVWKNTOIBIVPPA-UHFFFAOYSA-N 0 0 207.229 2.762 50 0 BFAARN CCc1ccc(NC(=O)c2cc(C)on2)cc1 ZINC000003908613 384033110 /nfs/dbraw/zinc/03/31/10/384033110.db2.gz WAGNQISRDRZMKF-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN CC(=O)c1cn(Cc2ccc(F)cc2)c(C)n1 ZINC000004002658 384036698 /nfs/dbraw/zinc/03/66/98/384036698.db2.gz DFAWHFIZXSIPFQ-UHFFFAOYSA-N 0 0 232.258 2.582 50 0 BFAARN CC(=O)Nc1c(Cl)cccc1Cl ZINC000004016100 384037149 /nfs/dbraw/zinc/03/71/49/384037149.db2.gz DWVWVSLAIJHBBG-UHFFFAOYSA-N 0 0 204.056 2.952 50 0 BFAARN CC(C)[C@@H]1C[C@H](C)CC[C@H]1O[C@H]1C=CC(=O)O1 ZINC000004114338 384040903 /nfs/dbraw/zinc/04/09/03/384040903.db2.gz CLAZQKKQQKBAAC-GFQSEFKGSA-N 0 0 238.327 2.903 50 0 BFAARN COC(=O)c1cc(Cl)c2cccc(C)c2n1 ZINC000038537616 384085383 /nfs/dbraw/zinc/08/53/83/384085383.db2.gz FFRCXTXPLHQRFN-UHFFFAOYSA-N 0 0 235.670 2.983 50 0 BFAARN O=C(/C=C/c1cccc(Cl)c1)N1CCCC1 ZINC000004903949 384088176 /nfs/dbraw/zinc/08/81/76/384088176.db2.gz JPJQNIANOPAOHO-VOTSOKGWSA-N 0 0 235.714 2.976 50 0 BFAARN c1nnc2sc(-c3cc4ccccc4o3)nn12 ZINC000004487524 384063811 /nfs/dbraw/zinc/06/38/11/384063811.db2.gz BSSQTLHYPZWCKE-UHFFFAOYSA-N 0 0 242.263 2.599 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)Nc2ccccn2)o1 ZINC000043723125 384063967 /nfs/dbraw/zinc/06/39/67/384063967.db2.gz FVRAJQUOOFIDII-JTQLQIEISA-N 0 0 245.282 2.866 50 0 BFAARN Cc1cccc(C[C@@H](CO)c2ccccc2)n1 ZINC000004558720 384069593 /nfs/dbraw/zinc/06/95/93/384069593.db2.gz QVNGRAVUWMOPLO-AWEZNQCLSA-N 0 0 227.307 2.709 50 0 BFAARN O=C1Nc2ccccc2CCC1(Cl)Cl ZINC000004658984 384073351 /nfs/dbraw/zinc/07/33/51/384073351.db2.gz LBLVWRMGTPVFLY-UHFFFAOYSA-N 0 0 230.094 2.745 50 0 BFAARN COCOc1cccc(C(F)(F)F)c1 ZINC000038283706 384081654 /nfs/dbraw/zinc/08/16/54/384081654.db2.gz ZVAJDXRDOOVXBO-UHFFFAOYSA-N 0 0 206.163 2.688 50 0 BFAARN CC(C)(C)OC(=O)n1ccc2c1cccc2CO ZINC000038876511 384097285 /nfs/dbraw/zinc/09/72/85/384097285.db2.gz XHSQCCTUAQIQMS-UHFFFAOYSA-N 0 0 247.294 2.917 50 0 BFAARN O=c1nc(-c2ccc(F)cc2)[nH]c2ccsc21 ZINC000048603507 384097531 /nfs/dbraw/zinc/09/75/31/384097531.db2.gz HPCCVNDRYFOEMN-UHFFFAOYSA-N 0 0 246.266 2.791 50 0 BFAARN CCOc1c(Cl)ccc(C=O)c1F ZINC000091251996 384110191 /nfs/dbraw/zinc/11/01/91/384110191.db2.gz UHWKSKYUNZUQFC-UHFFFAOYSA-N 0 0 202.612 2.690 50 0 BFAARN Clc1nc2cscc2c(Cl)n1 ZINC000039271343 384110682 /nfs/dbraw/zinc/11/06/82/384110682.db2.gz FUFRGBBMQQJFMJ-UHFFFAOYSA-N 0 0 205.069 2.998 50 0 BFAARN Nc1cc2cccc(Br)c2cn1 ZINC000091692368 384137383 /nfs/dbraw/zinc/13/73/83/384137383.db2.gz MELBFTIXTXTDDR-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Cc1cccc(C(=O)Nc2cccc(N)c2)c1 ZINC000005588200 384121842 /nfs/dbraw/zinc/12/18/42/384121842.db2.gz UKCPUGSGOXBKBS-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN O=C(OCc1ccccc1)C1CC(F)(F)C1 ZINC000091368704 384123239 /nfs/dbraw/zinc/12/32/39/384123239.db2.gz RRSMHVQRSRIXGF-UHFFFAOYSA-N 0 0 226.222 2.775 50 0 BFAARN O=C1N[C@H](c2ccc(F)cc2)Oc2ccccc21 ZINC000000360620 384123951 /nfs/dbraw/zinc/12/39/51/384123951.db2.gz ASXUYEWEUQLTDG-AWEZNQCLSA-N 0 0 243.237 2.647 50 0 BFAARN O=Cc1cc(-c2ccc(F)nc2)ccc1F ZINC000040450034 384154528 /nfs/dbraw/zinc/15/45/28/384154528.db2.gz BJMJZEFCAYFGRH-UHFFFAOYSA-N 0 0 219.190 2.839 50 0 BFAARN O=C1c2ccccc2-c2ccnc(Cl)c21 ZINC000040450050 384154841 /nfs/dbraw/zinc/15/48/41/384154841.db2.gz RWNMCMIMSZBPPE-UHFFFAOYSA-N 0 0 215.639 2.946 50 0 BFAARN CCC[C@H](C)NC(=O)Cc1ccc(C)cc1 ZINC000004681089 384139420 /nfs/dbraw/zinc/13/94/20/384139420.db2.gz XOEAMEPFUZSQFQ-LBPRGKRZSA-N 0 0 219.328 2.842 50 0 BFAARN COC(=O)c1cccc2c(Cl)ccnc12 ZINC000091692912 384140862 /nfs/dbraw/zinc/14/08/62/384140862.db2.gz ZXZRJIYXWZTSJH-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN COCc1cccc(OC(=O)c2ccco2)c1 ZINC000071903256 384143642 /nfs/dbraw/zinc/14/36/42/384143642.db2.gz KOPNWBWHLLVGIQ-UHFFFAOYSA-N 0 0 232.235 2.645 50 0 BFAARN C=C1c2cc(OCC)ccc2NC(=O)N1CC ZINC000002291003 384144112 /nfs/dbraw/zinc/14/41/12/384144112.db2.gz ASHSULPWFAZOEQ-UHFFFAOYSA-N 0 0 232.283 2.923 50 0 BFAARN O=C(CC(F)(F)F)NC1CCCCCC1 ZINC000043070358 384171541 /nfs/dbraw/zinc/17/15/41/384171541.db2.gz VOASQBHGRXRUMN-UHFFFAOYSA-N 0 0 223.238 2.778 50 0 BFAARN CCCn1nc(Cc2ccc(OC)cc2)nc1C ZINC000092045688 384159775 /nfs/dbraw/zinc/15/97/75/384159775.db2.gz OJZDLWHBSXJBFR-UHFFFAOYSA-N 0 0 245.326 2.596 50 0 BFAARN COC(=O)c1cccc(-c2ccc(C=O)o2)c1 ZINC000006640622 384160962 /nfs/dbraw/zinc/16/09/62/384160962.db2.gz MMFJUCGRDCLMOF-UHFFFAOYSA-N 0 0 230.219 2.546 50 0 BFAARN CNC(=O)c1cccc(OCc2ccccc2)c1 ZINC000006697676 384161717 /nfs/dbraw/zinc/16/17/17/384161717.db2.gz ORDVPWYLLKJEIC-UHFFFAOYSA-N 0 0 241.290 2.625 50 0 BFAARN CCc1ccc(CC(=O)N[C@H](C)CC)cc1 ZINC000071384620 384164646 /nfs/dbraw/zinc/16/46/46/384164646.db2.gz JJVUQCWNXYMDQE-LLVKDONJSA-N 0 0 219.328 2.706 50 0 BFAARN CCc1ccc(NC(=O)c2cc(C)no2)cc1 ZINC000006738043 384164543 /nfs/dbraw/zinc/16/45/43/384164543.db2.gz VZEXLXUNRZFXND-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN COC(=O)c1ccc(-c2ccc(OC)nc2)cc1 ZINC000006715201 384165240 /nfs/dbraw/zinc/16/52/40/384165240.db2.gz ARNMWLULAFBMND-UHFFFAOYSA-N 0 0 243.262 2.544 50 0 BFAARN CC[C@H](NC(=O)C1CC1)c1ccc(C)cc1 ZINC000006728660 384165476 /nfs/dbraw/zinc/16/54/76/384165476.db2.gz BJOXZJQBAZPZHS-ZDUSSCGKSA-N 0 0 217.312 2.972 50 0 BFAARN CCc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000006741530 384166016 /nfs/dbraw/zinc/16/60/16/384166016.db2.gz ZAXIWFGAGXGJBV-CYBMUJFWSA-N 0 0 248.326 2.550 50 0 BFAARN CCCCC(=O)N[C@H](C)Cc1cccs1 ZINC000038935401 384169013 /nfs/dbraw/zinc/16/90/13/384169013.db2.gz ANAMRBZPGLBZGN-SNVBAGLBSA-N 0 0 225.357 2.986 50 0 BFAARN CCN(CC)c1ccc(NC(=O)OC)cc1 ZINC000004881786 384185802 /nfs/dbraw/zinc/18/58/02/384185802.db2.gz HDMCTFUAMMRRKE-UHFFFAOYSA-N 0 0 222.288 2.711 50 0 BFAARN FC(F)(F)Oc1cccnc1Br ZINC000071793119 384179831 /nfs/dbraw/zinc/17/98/31/384179831.db2.gz BHUNBMCBYFTPAL-UHFFFAOYSA-N 0 0 241.994 2.743 50 0 BFAARN C[C@H](Nc1cnn(C)c1)c1ncc(C(C)(C)C)o1 ZINC000097377273 384182836 /nfs/dbraw/zinc/18/28/36/384182836.db2.gz MZSDERBIOZLRJD-VIFPVBQESA-N 0 0 248.330 2.879 50 0 BFAARN COC(=O)[C@H](C)c1ccc(Br)s1 ZINC000072266358 384203793 /nfs/dbraw/zinc/20/37/93/384203793.db2.gz OHMOCGWWYBEKKW-RXMQYKEDSA-N 0 0 249.129 2.787 50 0 BFAARN Clc1cc(COCc2ccccc2)ncn1 ZINC000072267215 384204644 /nfs/dbraw/zinc/20/46/44/384204644.db2.gz NUKBJRZXHSFACD-UHFFFAOYSA-N 0 0 234.686 2.847 50 0 BFAARN Cc1cc(N)n(-c2cccc(Cl)c2C)n1 ZINC000008549382 384204861 /nfs/dbraw/zinc/20/48/61/384204861.db2.gz VGSFUVVFIWXSMU-UHFFFAOYSA-N 0 0 221.691 2.725 50 0 BFAARN O=Cc1c[nH]nc1-c1ccc2c(c1)CCCC2 ZINC000009189799 384236141 /nfs/dbraw/zinc/23/61/41/384236141.db2.gz COAYSHQWULZOAX-UHFFFAOYSA-N 0 0 226.279 2.768 50 0 BFAARN CCOCC1CCN(c2cccc(C)n2)CC1 ZINC000157554283 384214919 /nfs/dbraw/zinc/21/49/19/384214919.db2.gz TXZJSXDYXWKNGK-UHFFFAOYSA-N 0 0 234.343 2.643 50 0 BFAARN O=C(Nc1onc2c1CCCC2)c1cccs1 ZINC000008736928 384216380 /nfs/dbraw/zinc/21/63/80/384216380.db2.gz DRBNRPJCXMFOLM-UHFFFAOYSA-N 0 0 248.307 2.867 50 0 BFAARN Cc1ccc(Nc2cc(C)nc(N)n2)c(C)c1 ZINC000072437657 384222511 /nfs/dbraw/zinc/22/25/11/384222511.db2.gz HKDCXDXQSYTXNJ-UHFFFAOYSA-N 0 0 228.299 2.728 50 0 BFAARN CCSc1nnc(-c2cccc(C)c2)n1C ZINC000097528508 384227346 /nfs/dbraw/zinc/22/73/46/384227346.db2.gz BXCBSFLLDXLWSU-UHFFFAOYSA-N 0 0 233.340 2.903 50 0 BFAARN O=C(c1ccc[nH]1)N1CCC[C@H]1C1CCCC1 ZINC000132680323 384243563 /nfs/dbraw/zinc/24/35/63/384243563.db2.gz LHLBNQDZMBQDEH-ZDUSSCGKSA-N 0 0 232.327 2.810 50 0 BFAARN FC(F)c1cccnc1Br ZINC000073641038 384258916 /nfs/dbraw/zinc/25/89/16/384258916.db2.gz RBKISNDTOFJWQZ-UHFFFAOYSA-N 0 0 208.005 2.782 50 0 BFAARN FC(F)(F)c1nnc(N2CCCCC2)s1 ZINC000000193893 384269595 /nfs/dbraw/zinc/26/95/95/384269595.db2.gz MIZAXPVYVZIIRW-UHFFFAOYSA-N 0 0 237.250 2.547 50 0 BFAARN COC(=O)c1cc2cc(C)cc(C)c2[nH]1 ZINC000043392910 384274181 /nfs/dbraw/zinc/27/41/81/384274181.db2.gz XZXOKIHPWIJXTF-UHFFFAOYSA-N 0 0 203.241 2.571 50 0 BFAARN COC(=O)c1ccc(OC)c2ccccc12 ZINC000044199479 384322322 /nfs/dbraw/zinc/32/23/22/384322322.db2.gz KVYMSRWVZFWKLT-UHFFFAOYSA-N 0 0 216.236 2.635 50 0 BFAARN CC(C)c1ccc(Br)cn1 ZINC000044121412 384313607 /nfs/dbraw/zinc/31/36/07/384313607.db2.gz RJXNVJKFIQGNGY-UHFFFAOYSA-N 0 0 200.079 2.968 50 0 BFAARN c1cc(-c2nc3ccccc3s2)n[nH]1 ZINC000012359648 384313717 /nfs/dbraw/zinc/31/37/17/384313717.db2.gz YAMYGQRUEXYQIE-UHFFFAOYSA-N 0 0 201.254 2.686 50 0 BFAARN O=C(/C=C/c1cccs1)Nc1ccncc1 ZINC000012341645 384314277 /nfs/dbraw/zinc/31/42/77/384314277.db2.gz PPLQDIRHCFZULW-ONEGZZNKSA-N 0 0 230.292 2.795 50 0 BFAARN Cc1ccc(C(=O)NCCC(C)C)cc1 ZINC000000362714 384315840 /nfs/dbraw/zinc/31/58/40/384315840.db2.gz AVLHVSHTWPMHEE-UHFFFAOYSA-N 0 0 205.301 2.771 50 0 BFAARN CC(=O)c1sc(-c2ccc(C)n2C)nc1C ZINC000012396727 384316233 /nfs/dbraw/zinc/31/62/33/384316233.db2.gz WDUVCNLEJCQDFI-UHFFFAOYSA-N 0 0 234.324 2.968 50 0 BFAARN C[C@@H](NC(=O)Cc1ccccc1F)C(C)(C)C ZINC000012381103 384317069 /nfs/dbraw/zinc/31/70/69/384317069.db2.gz NFHLGJBDPKSWKG-SNVBAGLBSA-N 0 0 237.318 2.919 50 0 BFAARN CC1(C)C[C@H](O)[C@@]23CC[C@@H](O)[C@@](C)(CC[C@H]12)C3 ZINC000004942611 384279236 /nfs/dbraw/zinc/27/92/36/384279236.db2.gz BWXJQHJHGMZLBT-RKEKIRQTSA-N 0 0 238.371 2.725 50 0 BFAARN CSC[C@H](C)NC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000097010498 384282614 /nfs/dbraw/zinc/28/26/14/384282614.db2.gz SFFGAUOYWMKFIS-DCAQKATOSA-N 0 0 244.404 2.568 50 0 BFAARN CC1(C)Cc2nc(Cl)ccc2[C@H](O)C1 ZINC000011919789 384302144 /nfs/dbraw/zinc/30/21/44/384302144.db2.gz PLZSQKSUSQGCJR-SECBINFHSA-N 0 0 211.692 2.741 50 0 BFAARN CC(=O)Nc1ccccc1CNc1cc(C)on1 ZINC000097045249 384302533 /nfs/dbraw/zinc/30/25/33/384302533.db2.gz LHZSOURTJAYOLZ-UHFFFAOYSA-N 0 0 245.282 2.554 50 0 BFAARN CCSCCOc1ccccc1-c1nc[nH]n1 ZINC000097046859 384303297 /nfs/dbraw/zinc/30/32/97/384303297.db2.gz KVUFLHMCJNAMSI-UHFFFAOYSA-N 0 0 249.339 2.604 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(F)cc2C)no1 ZINC000013140939 384349785 /nfs/dbraw/zinc/34/97/85/384349785.db2.gz LASCPKIMBSCYAN-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN Nc1cc(Cl)c(-n2cccn2)c(Cl)c1 ZINC000076068808 384356364 /nfs/dbraw/zinc/35/63/64/384356364.db2.gz VPATXEHBFSDTAS-UHFFFAOYSA-N 0 0 228.082 2.761 50 0 BFAARN FC(F)(F)c1ccc(N2CCCC2)cn1 ZINC000095081427 384358288 /nfs/dbraw/zinc/35/82/88/384358288.db2.gz MSEBFDYJHTVPMY-UHFFFAOYSA-N 0 0 216.206 2.701 50 0 BFAARN Nc1cccc(Oc2nc(Cl)ncc2F)c1 ZINC000261508492 384358634 /nfs/dbraw/zinc/35/86/34/384358634.db2.gz TXNORRSCZDPTNE-UHFFFAOYSA-N 0 0 239.637 2.644 50 0 BFAARN FC(F)(F)c1cccc(NN2CCCCC2)[nH+]1 ZINC000095081589 384358728 /nfs/dbraw/zinc/35/87/28/384358728.db2.gz PCOPVVZCPUVSKQ-UHFFFAOYSA-N 0 0 245.248 2.913 50 0 BFAARN COC(=O)[C@@H](C)SCCc1cccs1 ZINC000097102258 384359894 /nfs/dbraw/zinc/35/98/94/384359894.db2.gz JNEKPRZLMBKGIE-MRVPVSSYSA-N 0 0 230.354 2.585 50 0 BFAARN Cc1ccc([C@@H]2Cc3n[nH]cc3C(=O)C2)s1 ZINC000095117780 384366448 /nfs/dbraw/zinc/36/64/48/384366448.db2.gz DOVCDGMZQPEKTL-MRVPVSSYSA-N 0 0 232.308 2.692 50 0 BFAARN Cc1ccncc1C(=O)c1ccccc1F ZINC000045028993 384368368 /nfs/dbraw/zinc/36/83/68/384368368.db2.gz KQQLLCUYCVXRBJ-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN Cc1ccc(CN(C)[C@H](C)c2ccccn2)nc1 ZINC000097113650 384370142 /nfs/dbraw/zinc/37/01/42/384370142.db2.gz BMBUAKRTBWFPNI-CYBMUJFWSA-N 0 0 241.338 2.978 50 0 BFAARN CCc1cnc(NCCCOC2CCCC2)nc1 ZINC000095363237 384371059 /nfs/dbraw/zinc/37/10/59/384371059.db2.gz TYBMNQHQNNLYFM-UHFFFAOYSA-N 0 0 249.358 2.800 50 0 BFAARN Cc1cc(C(=O)c2c(F)cccc2F)ccn1 ZINC000045038585 384371408 /nfs/dbraw/zinc/37/14/08/384371408.db2.gz SYQGWZSNOLMMAM-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CCCc1nnc(N(C)Cc2ccc(F)cc2)o1 ZINC000095361641 384371330 /nfs/dbraw/zinc/37/13/30/384371330.db2.gz DXXDZCKVHDYXDB-UHFFFAOYSA-N 0 0 249.289 2.798 50 0 BFAARN CCc1cc(NCC2(COC)CCCC2)ncn1 ZINC000095359094 384371361 /nfs/dbraw/zinc/37/13/61/384371361.db2.gz FWVGOXLSRMTBGR-UHFFFAOYSA-N 0 0 249.358 2.658 50 0 BFAARN CC(=O)c1sc2nc(C)nc(C)c2c1C ZINC000012505650 384323176 /nfs/dbraw/zinc/32/31/76/384323176.db2.gz AQPQSRMXIKTHIB-UHFFFAOYSA-N 0 0 220.297 2.819 50 0 BFAARN O=C1Nc2ccccc2C[C@@H]1c1ccccc1 ZINC000012505383 384323714 /nfs/dbraw/zinc/32/37/14/384323714.db2.gz WIGSEVPKWYDXGT-CYBMUJFWSA-N 0 0 223.275 2.965 50 0 BFAARN CCOCCn1ccc(-c2ccsc2)n1 ZINC000097082516 384324440 /nfs/dbraw/zinc/32/44/40/384324440.db2.gz FKWPEAQPMVBWEY-UHFFFAOYSA-N 0 0 222.313 2.648 50 0 BFAARN C[C@@H]1O[C@H](C)[C@@H](C)[C@H](c2ccccc2O)O1 ZINC000229937820 384330854 /nfs/dbraw/zinc/33/08/54/384330854.db2.gz OSYQUVFLQIPNCW-VWMGYNLJSA-N 0 0 222.284 2.851 50 0 biogenic BFAARN Cc1ccc(Cc2c(C)[nH]c(=S)[nH]c2=O)cc1 ZINC000012653377 384332934 /nfs/dbraw/zinc/33/29/34/384332934.db2.gz JMFATOCBCIDUPU-UHFFFAOYSA-N 0 0 246.335 2.640 50 0 BFAARN FC(F)c1ncc(Br)s1 ZINC000095743228 384392087 /nfs/dbraw/zinc/39/20/87/384392087.db2.gz RTILAKBVRIHMNT-UHFFFAOYSA-N 0 0 214.034 2.843 50 0 BFAARN COC(=O)c1cc(Cl)cc(C(F)(F)F)n1 ZINC000095803907 384397375 /nfs/dbraw/zinc/39/73/75/384397375.db2.gz QGNOZTMZBPOLGT-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN Cc1ccc(OCc2ccco2)c(N)c1 ZINC000014629562 384397601 /nfs/dbraw/zinc/39/76/01/384397601.db2.gz LISSTFLQWATCQC-UHFFFAOYSA-N 0 0 203.241 2.749 50 0 BFAARN Cc1n[nH]c(C)c1CCc1ccc([C@H](C)O)cc1 ZINC000077458439 384407448 /nfs/dbraw/zinc/40/74/48/384407448.db2.gz MWKYLBVZGBBQOD-LBPRGKRZSA-N 0 0 244.338 2.865 50 0 BFAARN CC[C@@H](C)c1ncncc1Br ZINC000015021309 384413774 /nfs/dbraw/zinc/41/37/74/384413774.db2.gz QXYSMMNJSYBORC-ZCFIWIBFSA-N 0 0 215.094 2.753 50 0 BFAARN O=Cc1ccc(OC(F)F)c(OC(F)F)c1 ZINC000015042189 384417082 /nfs/dbraw/zinc/41/70/82/384417082.db2.gz IPHURZAZBKLMQJ-UHFFFAOYSA-N 0 0 238.136 2.702 50 0 BFAARN C/C=C\C(=O)NCc1ccc2[nH]c(C)cc2c1 ZINC000005065980 384423737 /nfs/dbraw/zinc/42/37/37/384423737.db2.gz ZPAQSDYSLCTIKQ-ARJAWSKDSA-N 0 0 228.295 2.669 50 0 BFAARN COC(=O)c1cccc(NC(=O)C2CCC2)c1C ZINC000032764807 384377490 /nfs/dbraw/zinc/37/74/90/384377490.db2.gz BKOYASWGQVDTGP-UHFFFAOYSA-N 0 0 247.294 2.520 50 0 BFAARN Cc1n[nH]c(C)c1-c1cc(N)ccc1Cl ZINC000095478031 384377825 /nfs/dbraw/zinc/37/78/25/384377825.db2.gz UWMDWANGYPXDSS-UHFFFAOYSA-N 0 0 221.691 2.929 50 0 BFAARN CCCn1c(C)nc2cc(C(=O)OCC)ccc21 ZINC000095496125 384379924 /nfs/dbraw/zinc/37/99/24/384379924.db2.gz BFPRGZHDOGBLKM-UHFFFAOYSA-N 0 0 246.310 2.931 50 0 BFAARN CCCCNc1nnc(NCCCC)s1 ZINC000059916971 384380447 /nfs/dbraw/zinc/38/04/47/384380447.db2.gz VEWFVWBQBFQRPR-UHFFFAOYSA-N 0 0 228.365 2.962 50 0 BFAARN Clc1nn([C@H]2CCCCO2)c2ncccc12 ZINC000095631281 384384620 /nfs/dbraw/zinc/38/46/20/384384620.db2.gz ZZQKCJGYBPSTKZ-SECBINFHSA-N 0 0 237.690 2.784 50 0 BFAARN CC(C)(C)OC(=O)[C@H]1CCCc2cccnc21 ZINC000095628794 384385069 /nfs/dbraw/zinc/38/50/69/384385069.db2.gz CDXNIYSYQPAXPX-NSHDSACASA-N 0 0 233.311 2.843 50 0 BFAARN O=Cc1c(F)cccc1OC(F)(F)F ZINC000095704950 384391325 /nfs/dbraw/zinc/39/13/25/384391325.db2.gz JTJYJVPLURTIBA-UHFFFAOYSA-N 0 0 208.110 2.537 50 0 BFAARN COC(=O)c1cccc(-c2nccs2)c1 ZINC000016082588 384450148 /nfs/dbraw/zinc/45/01/48/384450148.db2.gz YXIVASOYIRWGFB-UHFFFAOYSA-N 0 0 219.265 2.597 50 0 BFAARN O=C1c2cccc3[nH]nc(c32)-c2ccccc21 ZINC000096298875 384450435 /nfs/dbraw/zinc/45/04/35/384450435.db2.gz ACPOUJIDANTYHO-UHFFFAOYSA-N 0 0 220.231 2.774 50 0 world BFAARN COc1cc(-c2cnc(N)cc2C)c(Cl)cn1 ZINC000096151277 384437485 /nfs/dbraw/zinc/43/74/85/384437485.db2.gz IKUQOMBFMMJZQO-UHFFFAOYSA-N 0 0 249.701 2.696 50 0 BFAARN Cc1n[nH]c(C)c1-c1nc(C)nc2ccccc21 ZINC000096152590 384437669 /nfs/dbraw/zinc/43/76/69/384437669.db2.gz GHHZDZHAJYACEJ-UHFFFAOYSA-N 0 0 238.294 2.945 50 0 BFAARN CC(C)c1nccn1Cc1nc2ccccc2[nH]1 ZINC000097236131 384460741 /nfs/dbraw/zinc/46/07/41/384460741.db2.gz ZWKFATZUCXZGFI-UHFFFAOYSA-N 0 0 240.310 2.931 50 0 BFAARN CC[C@@H](C)Nc1cccc([S@@](C)=O)c1 ZINC000097232079 384463441 /nfs/dbraw/zinc/46/34/41/384463441.db2.gz QKMSWBPTRZAAAC-OTYXRUKQSA-N 0 0 211.330 2.634 50 0 BFAARN CC(C)(C)n1ncc2c1nc(Cl)nc2Cl ZINC000047843879 384468422 /nfs/dbraw/zinc/46/84/22/384468422.db2.gz KQMSQBIJCSGTAY-UHFFFAOYSA-N 0 0 245.113 2.888 50 0 BFAARN O=Cc1cc(CN2CCCCC2)cs1 ZINC000016943331 384474084 /nfs/dbraw/zinc/47/40/84/384474084.db2.gz LUVAADJQCRBJKC-UHFFFAOYSA-N 0 0 209.314 2.547 50 0 BFAARN CC(C)CC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000250596176 384482796 /nfs/dbraw/zinc/48/27/96/384482796.db2.gz NYJQTXUOIFWYGX-XQQFMLRXSA-N 0 0 239.359 2.750 50 0 BFAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccco1 ZINC000013596414 384496760 /nfs/dbraw/zinc/49/67/60/384496760.db2.gz ULUVSOZMODOQCT-SNVBAGLBSA-N 0 0 227.263 2.871 50 0 BFAARN C[C@H](NC(=O)C(C)(C)C)c1nc2ccccc2[nH]1 ZINC000000200910 384497616 /nfs/dbraw/zinc/49/76/16/384497616.db2.gz SZSOLHZRDPYEOA-VIFPVBQESA-N 0 0 245.326 2.786 50 0 BFAARN C[C@@H](NC(=O)C(C)(C)C)c1nc2ccccc2[nH]1 ZINC000000200914 384497712 /nfs/dbraw/zinc/49/77/12/384497712.db2.gz SZSOLHZRDPYEOA-SECBINFHSA-N 0 0 245.326 2.786 50 0 BFAARN CCOc1cccc(NC(=O)N(CC)CC)c1 ZINC000071944043 384503439 /nfs/dbraw/zinc/50/34/39/384503439.db2.gz ORGXAHGXMBXDHC-UHFFFAOYSA-N 0 0 236.315 2.959 50 0 BFAARN CC[C@@H]([NH2+]C[C@H](C)O)c1cccc(Cl)c1F ZINC000135041876 384503843 /nfs/dbraw/zinc/50/38/43/384503843.db2.gz MYMBVQKDJAGPLB-GZMMTYOYSA-N 0 0 245.725 2.901 50 0 BFAARN c1ccc(CNCNCc2ccccc2)cc1 ZINC000019324852 384515285 /nfs/dbraw/zinc/51/52/85/384515285.db2.gz LVCAIAKPPXXJCH-UHFFFAOYSA-N 0 0 226.323 2.524 50 0 BFAARN O=C([O-])C[N@@H+]1CCC[C@H]1CCC1CCCCC1 ZINC000238156115 384516570 /nfs/dbraw/zinc/51/65/70/384516570.db2.gz OEQQCDPPRDCYRC-ZDUSSCGKSA-N 0 0 239.359 2.896 50 0 BFAARN CN(Cc1ccccc1)C(=O)c1cccc(O)c1 ZINC000019838721 384544284 /nfs/dbraw/zinc/54/42/84/384544284.db2.gz JXDPFIDNUIBVTR-UHFFFAOYSA-N 0 0 241.290 2.664 50 0 BFAARN COC(=O)c1ccnc(-c2ccc(F)cc2F)c1 ZINC000097743319 384551700 /nfs/dbraw/zinc/55/17/00/384551700.db2.gz FYHAXSZDRBOYBQ-UHFFFAOYSA-N 0 0 249.216 2.813 50 0 BFAARN COC(=O)c1ccc(-c2cccc(F)c2)nc1 ZINC000097757083 384553293 /nfs/dbraw/zinc/55/32/93/384553293.db2.gz ZKTQVBLPOLFGED-UHFFFAOYSA-N 0 0 231.226 2.674 50 0 BFAARN CCOc1cc(C(=O)OC)ccc1Cl ZINC000097756824 384553433 /nfs/dbraw/zinc/55/34/33/384553433.db2.gz PXEGLLQHUFAZOC-UHFFFAOYSA-N 0 0 214.648 2.525 50 0 BFAARN CC(=O)Nc1cccc(NC2CCCC2)c1 ZINC000019917052 384561036 /nfs/dbraw/zinc/56/10/36/384561036.db2.gz QTGHJOGZQOJGCI-UHFFFAOYSA-N 0 0 218.300 3.000 50 0 BFAARN Cc1ccc(OCCCn2ccnc2)cc1C ZINC000002497243 384571864 /nfs/dbraw/zinc/57/18/64/384571864.db2.gz BVJQFSKSXFEDIP-UHFFFAOYSA-N 0 0 230.311 2.969 50 0 BFAARN CCc1ccccc1O[C@H](C)C(=O)NC(C)(C)C ZINC000020049098 384572283 /nfs/dbraw/zinc/57/22/83/384572283.db2.gz YSGUXUIVVLIUAW-LLVKDONJSA-N 0 0 249.354 2.931 50 0 BFAARN FC(F)(F)[C@@H]1NCCc2c3ccccc3[nH]c21 ZINC000020223823 384604270 /nfs/dbraw/zinc/60/42/70/384604270.db2.gz MTJHHRXTCMKWEC-LLVKDONJSA-N 0 0 240.228 2.917 50 0 BFAARN COC(=O)c1cc2ccccc2c(Cl)n1 ZINC000020281555 384610372 /nfs/dbraw/zinc/61/03/72/384610372.db2.gz KJBHVFGDDKSFGN-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN O=Cc1cccc(Oc2ccnc(Cl)n2)c1 ZINC000020357639 384612877 /nfs/dbraw/zinc/61/28/77/384612877.db2.gz VAMZQCOWTSWLQN-UHFFFAOYSA-N 0 0 234.642 2.735 50 0 BFAARN c1ccc(SCCCN2CCOCC2)cc1 ZINC000020653065 384626293 /nfs/dbraw/zinc/62/62/93/384626293.db2.gz JBSCLXVFNACVJW-UHFFFAOYSA-N 0 0 237.368 2.501 50 0 BFAARN O=Cc1nc(Cl)ccc1C(F)(F)F ZINC000082046727 384644113 /nfs/dbraw/zinc/64/41/13/384644113.db2.gz YCRXWHRVPZXEMU-UHFFFAOYSA-N 0 0 209.554 2.566 50 0 BFAARN COc1c(Br)cccc1C(C)=O ZINC000082046767 384644379 /nfs/dbraw/zinc/64/43/79/384644379.db2.gz IBHCVANJIBGASI-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN Cc1nc2cc(C)ccn2c1Br ZINC000082360976 384675232 /nfs/dbraw/zinc/67/52/32/384675232.db2.gz MDTPDAWPCKKFHE-UHFFFAOYSA-N 0 0 225.089 2.714 50 0 BFAARN CCCCC(=O)N(Cc1ccncc1)C1CC1 ZINC000050821842 384647742 /nfs/dbraw/zinc/64/77/42/384647742.db2.gz OWDIAPOWVDHLFP-UHFFFAOYSA-N 0 0 232.327 2.763 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccncc2)[C@H]1C ZINC000248115869 384648758 /nfs/dbraw/zinc/64/87/58/384648758.db2.gz SHKLDZKVVIWFGH-NTZNESFSSA-N 0 0 232.327 2.636 50 0 BFAARN CC(=O)C(Sc1ccc(C)cc1)=C(C)O ZINC000100710168 384651623 /nfs/dbraw/zinc/65/16/23/384651623.db2.gz MZGRGXYDVMBQOO-UHFFFAOYSA-N 0 0 222.309 2.634 50 0 BFAARN CCCCNC(=O)Cc1ccc(Cl)cc1 ZINC000002742038 384654797 /nfs/dbraw/zinc/65/47/97/384654797.db2.gz IMQOJKRMXQNWKG-UHFFFAOYSA-N 0 0 225.719 2.799 50 0 BFAARN CSCc1nnc(SC2CCCC2)o1 ZINC000072066585 384689993 /nfs/dbraw/zinc/68/99/93/384689993.db2.gz IRXIFVYPPZEKLX-UHFFFAOYSA-N 0 0 230.358 2.967 50 0 BFAARN COC(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000021950457 384710215 /nfs/dbraw/zinc/71/02/15/384710215.db2.gz YOPFNEMTUZIKJN-UHFFFAOYSA-N 0 0 203.241 2.571 50 0 BFAARN C/C=C/C=C/C(=O)N1CCC[C@H]1c1cccn1C ZINC000079355390 384717871 /nfs/dbraw/zinc/71/78/71/384717871.db2.gz SCIQQHYMHQQSET-PVLGIUPUSA-N 0 0 244.338 2.821 50 0 BFAARN Fc1cccc(COc2cccnc2)c1F ZINC000126149371 384775074 /nfs/dbraw/zinc/77/50/74/384775074.db2.gz MBFKSVGJPKSQII-UHFFFAOYSA-N 0 0 221.206 2.939 50 0 BFAARN CC(=O)c1ccccc1C(=O)N[C@@H]1CCC[C@H]1C ZINC000087313303 384778678 /nfs/dbraw/zinc/77/86/78/384778678.db2.gz USVLYGPGZXKQSL-QMTHXVAHSA-N 0 0 245.322 2.808 50 0 BFAARN C[NH+](C)CCNCc1ccc(Cl)cc1Cl ZINC000022075243 384729273 /nfs/dbraw/zinc/72/92/73/384729273.db2.gz PEZHCWCUHHVYED-UHFFFAOYSA-N 0 0 247.169 2.645 50 0 BFAARN Nc1ccc(SCCO)c(Cl)c1Cl ZINC000022124701 384733004 /nfs/dbraw/zinc/73/30/04/384733004.db2.gz NXGSXWOEIXERLJ-UHFFFAOYSA-N 0 0 238.139 2.660 50 0 BFAARN CC(=O)c1ccccc1C(=O)N[C@H]1CCC[C@H]1C ZINC000087313300 384779104 /nfs/dbraw/zinc/77/91/04/384779104.db2.gz USVLYGPGZXKQSL-YGRLFVJLSA-N 0 0 245.322 2.808 50 0 BFAARN CCOc1ccc(CNc2nncs2)cc1 ZINC000083362334 384750148 /nfs/dbraw/zinc/75/01/48/384750148.db2.gz FZSPGPOBSTXKML-UHFFFAOYSA-N 0 0 235.312 2.549 50 0 BFAARN CCN(CC)C(=O)NC[C@H](C)c1ccccc1 ZINC000084770967 384766801 /nfs/dbraw/zinc/76/68/01/384766801.db2.gz DMDHQBQBDXYEJS-LBPRGKRZSA-N 0 0 234.343 2.842 50 0 BFAARN Fc1cccc(-c2cnc(Cn3cccn3)o2)c1 ZINC000085263852 384770284 /nfs/dbraw/zinc/77/02/84/384770284.db2.gz YKIGGOKDFQOPRX-UHFFFAOYSA-N 0 0 243.241 2.726 50 0 BFAARN CC(C)CCNC(=O)[C@@H](C)c1ccccc1 ZINC000163530760 384820841 /nfs/dbraw/zinc/82/08/41/384820841.db2.gz BPTSQHCOELJPJZ-LBPRGKRZSA-N 0 0 219.328 2.952 50 0 BFAARN CN(CC1CCCC1)C(=O)[C@H]1CC=CCC1 ZINC000126735485 384826237 /nfs/dbraw/zinc/82/62/37/384826237.db2.gz JMLXBFUNLVYNKL-ZDUSSCGKSA-N 0 0 221.344 2.991 50 0 BFAARN Cn1cccc1-c1n[nH]c(C2CCCCC2)n1 ZINC000426477692 384833524 /nfs/dbraw/zinc/83/35/24/384833524.db2.gz HGGDVGLHQQVXDB-UHFFFAOYSA-N 0 0 230.315 2.858 50 0 BFAARN C[C@@H](NC(=O)NC1CC1)c1cccc(Cl)c1 ZINC000026518586 384877174 /nfs/dbraw/zinc/87/71/74/384877174.db2.gz LELKLSHGRGHYHE-MRVPVSSYSA-N 0 0 238.718 2.863 50 0 BFAARN Nc1nccc2c(Br)cccc12 ZINC000026507160 384877558 /nfs/dbraw/zinc/87/75/58/384877558.db2.gz ATENCABMFYJWGZ-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Cc1ccnc(NC(=S)c2ccccn2)c1 ZINC000038892165 384883759 /nfs/dbraw/zinc/88/37/59/384883759.db2.gz HHJKAQHJHKMIJL-UHFFFAOYSA-N 0 0 229.308 2.573 50 0 BFAARN C[C@@H](C1CC1)n1nccc1NCC1=CCCOC1 ZINC000126982625 384849193 /nfs/dbraw/zinc/84/91/93/384849193.db2.gz AGYUXUBSPWREAU-NSHDSACASA-N 0 0 247.342 2.613 50 0 BFAARN C[C@@H](NC(=O)N[C@@H](C)C1CCC1)c1ccco1 ZINC000095440215 384855959 /nfs/dbraw/zinc/85/59/59/384855959.db2.gz XMSRJQXUOSFDPE-VHSXEESVSA-N 0 0 236.315 2.828 50 0 BFAARN Ic1ccc2c(c1)CCC2 ZINC000054959958 384861423 /nfs/dbraw/zinc/86/14/23/384861423.db2.gz BDFQJOIAYXQHQR-UHFFFAOYSA-N 0 0 244.075 2.780 50 0 BFAARN C[S@](=O)c1cccc(NCC(C)(C)C)c1 ZINC000095428781 384952916 /nfs/dbraw/zinc/95/29/16/384952916.db2.gz KFSGKZMGKWESHU-OAHLLOKOSA-N 0 0 225.357 2.882 50 0 BFAARN Nc1ccc2c(Br)cncc2c1 ZINC000148697938 384899575 /nfs/dbraw/zinc/89/95/75/384899575.db2.gz RFCJHUVZURQWCD-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Clc1cnc(N2C[C@H]3CC=CC[C@@H]3C2)nc1 ZINC000095406816 384903617 /nfs/dbraw/zinc/90/36/17/384903617.db2.gz VTRUUMDWUOMEEE-NXEZZACHSA-N 0 0 235.718 2.532 50 0 BFAARN Cc1n[nH]cc1Nc1nc(C(F)(F)F)cs1 ZINC000095428464 384906630 /nfs/dbraw/zinc/90/66/30/384906630.db2.gz JWNIQRYUBLHAGZ-UHFFFAOYSA-N 0 0 248.233 2.937 50 0 BFAARN COC(=O)c1ccc(-c2cccc(N)c2)cc1F ZINC000085210191 384928712 /nfs/dbraw/zinc/92/87/12/384928712.db2.gz UBKZXFOESPUJDV-UHFFFAOYSA-N 0 0 245.253 2.862 50 0 BFAARN Cc1nc(Cl)c2cc(Cl)ncc2n1 ZINC000085210265 384929003 /nfs/dbraw/zinc/92/90/03/384929003.db2.gz SBKMZNBMKPJHRW-UHFFFAOYSA-N 0 0 214.055 2.640 50 0 BFAARN COC(=O)c1cc(Br)c(C)s1 ZINC000085393188 384942503 /nfs/dbraw/zinc/94/25/03/384942503.db2.gz HTUJLTFSPCLOCX-UHFFFAOYSA-N 0 0 235.102 2.606 50 0 BFAARN FC(F)(F)CN[C@H]1CCCc2cccnc21 ZINC000085789422 384967718 /nfs/dbraw/zinc/96/77/18/384967718.db2.gz CGGVGOVSZDYEAI-VIFPVBQESA-N 0 0 230.233 2.611 50 0 BFAARN CCCn1cc(C(=O)c2cc(C)ccc2O)cn1 ZINC000058225140 384990381 /nfs/dbraw/zinc/99/03/81/384990381.db2.gz NGLMJNUSDORRKD-UHFFFAOYSA-N 0 0 244.294 2.538 50 0 BFAARN Cc1noc(C)c1NC(=O)c1ccc(C)c(F)c1 ZINC000058201552 384990606 /nfs/dbraw/zinc/99/06/06/384990606.db2.gz DGBQSQGQDVARJC-UHFFFAOYSA-N 0 0 248.257 2.991 50 0 BFAARN O=Cc1c(Cl)ncnc1NCc1ccccc1 ZINC000029753697 385006258 /nfs/dbraw/zinc/00/62/58/385006258.db2.gz NINSSJVSRWWSNV-UHFFFAOYSA-N 0 0 247.685 2.555 50 0 BFAARN CC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000058429143 385007936 /nfs/dbraw/zinc/00/79/36/385007936.db2.gz HTPWNQVTGMLAOT-UHFFFAOYSA-N 0 0 245.282 2.818 50 0 BFAARN Clc1ccnc(NCc2ccccc2)n1 ZINC000059666625 385051561 /nfs/dbraw/zinc/05/15/61/385051561.db2.gz VDDPUCZEHQSAHW-UHFFFAOYSA-N 0 0 219.675 2.742 50 0 BFAARN CCCCNC(=O)CCc1ccc(F)cc1 ZINC000062062289 385029794 /nfs/dbraw/zinc/02/97/94/385029794.db2.gz WOHXPYIMTKRSLP-UHFFFAOYSA-N 0 0 223.291 2.675 50 0 BFAARN Cc1ccnc(N[C@@H](C)c2nccnc2C)c1 ZINC000188310376 385038274 /nfs/dbraw/zinc/03/82/74/385038274.db2.gz IGRRYTDTMDSGJH-NSHDSACASA-N 0 0 228.299 2.662 50 0 BFAARN COc1ncccc1-c1ccc([C@H](C)O)cc1 ZINC000067948087 385046671 /nfs/dbraw/zinc/04/66/71/385046671.db2.gz GTERHFACGMODON-JTQLQIEISA-N 0 0 229.279 2.811 50 0 BFAARN CCN(CC)c1ccc2nc(N)sc2c1 ZINC000031893773 385109615 /nfs/dbraw/zinc/10/96/15/385109615.db2.gz HVEZEMFGHFXXHV-UHFFFAOYSA-N 0 0 221.329 2.725 50 0 BFAARN O=C(CSc1ncco1)c1ccccc1 ZINC000236403040 385120082 /nfs/dbraw/zinc/12/00/82/385120082.db2.gz HZDZZCFQVUBKDA-UHFFFAOYSA-N 0 0 219.265 2.650 50 0 BFAARN Cc1nnc(CSCc2csc(C)n2)o1 ZINC000096467842 385182820 /nfs/dbraw/zinc/18/28/20/385182820.db2.gz AYLRSRMDGNUGKQ-UHFFFAOYSA-N 0 0 241.341 2.576 50 0 BFAARN Cc1noc(-c2ccc3ncsc3c2)n1 ZINC000061957939 385149219 /nfs/dbraw/zinc/14/92/19/385149219.db2.gz XWYLKHSFTZHUIT-UHFFFAOYSA-N 0 0 217.253 2.655 50 0 BFAARN CCSCC[C@@H](C)NC(=O)[C@@H]1CC=CCC1 ZINC000096433116 385167210 /nfs/dbraw/zinc/16/72/10/385167210.db2.gz QIJKUKCYBMTISV-VXGBXAGGSA-N 0 0 241.400 2.991 50 0 BFAARN CCSCC[C@H](C)NC(=O)[C@H]1CC=CCC1 ZINC000096433115 385167370 /nfs/dbraw/zinc/16/73/70/385167370.db2.gz QIJKUKCYBMTISV-RYUDHWBXSA-N 0 0 241.400 2.991 50 0 BFAARN CC[C@H](S[C@H](C)C(N)=O)c1ccccc1 ZINC000096433446 385167650 /nfs/dbraw/zinc/16/76/50/385167650.db2.gz SPKWWCUKZDHUEG-KOLCDFICSA-N 0 0 223.341 2.745 50 0 BFAARN CO[C@H](C)CCOC(=O)C1(c2ccccc2)CC1 ZINC000096442914 385170760 /nfs/dbraw/zinc/17/07/60/385170760.db2.gz FFKAFPRLSINJRF-GFCCVEGCSA-N 0 0 248.322 2.686 50 0 BFAARN Cc1cc(C(=O)Nc2ccccc2C)no1 ZINC000007609677 385216472 /nfs/dbraw/zinc/21/64/72/385216472.db2.gz VVORRSQVJKITJQ-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN CCS[C@H]1CCC[C@@H]1Nc1nnc(C)s1 ZINC000096482474 385221557 /nfs/dbraw/zinc/22/15/57/385221557.db2.gz OCNXCLLVGFPVPR-IUCAKERBSA-N 0 0 243.401 2.933 50 0 BFAARN CCCCN(C)c1nc(C)nc2[nH]ccc21 ZINC000072307754 385221854 /nfs/dbraw/zinc/22/18/54/385221854.db2.gz KIRKNZNXFSCZON-UHFFFAOYSA-N 0 0 218.304 2.503 50 0 BFAARN O=c1[nH]c2c(s1)C=Nc1ccccc1N2 ZINC000100639257 385224901 /nfs/dbraw/zinc/22/49/01/385224901.db2.gz FQVPUUQTGFAENE-UHFFFAOYSA-N 0 0 217.253 2.656 50 0 BFAARN FC(F)(F)c1cccc(N2CCCC2)n1 ZINC000063507737 385227007 /nfs/dbraw/zinc/22/70/07/385227007.db2.gz VXMBJBIQNQPWPT-UHFFFAOYSA-N 0 0 216.206 2.701 50 0 BFAARN CCCCN(CCCC)c1cc(F)nc(N)n1 ZINC000003159694 385230621 /nfs/dbraw/zinc/23/06/21/385230621.db2.gz JFRZUKUBQUSJLN-UHFFFAOYSA-N 0 0 240.326 2.605 50 0 BFAARN Cc1noc(CN(C)C[C@@H](C)c2ccccc2)n1 ZINC000065371693 385303040 /nfs/dbraw/zinc/30/30/40/385303040.db2.gz MGZHEEYUELLDMM-LLVKDONJSA-N 0 0 245.326 2.614 50 0 BFAARN CC[C@H]1C=CCN1C(=O)c1cc(C(C)C)on1 ZINC000065430499 385308331 /nfs/dbraw/zinc/30/83/31/385308331.db2.gz FRMXLWOJUAFSAX-JTQLQIEISA-N 0 0 234.299 2.589 50 0 BFAARN Cc1cc(C)c(C)c(C(=O)N2CC=CC2)c1C ZINC000065452787 385312567 /nfs/dbraw/zinc/31/25/67/385312567.db2.gz QAAGHFYTLLIFRQ-UHFFFAOYSA-N 0 0 229.323 2.932 50 0 BFAARN Cc1cc(C)nc(NCc2cnc(C)c(C)c2)n1 ZINC000065535034 385322509 /nfs/dbraw/zinc/32/25/09/385322509.db2.gz CWKIBOQOMKRYSO-UHFFFAOYSA-N 0 0 242.326 2.717 50 0 BFAARN CCOP(=O)(CN1CCCCC1)OCC ZINC000019300313 385283516 /nfs/dbraw/zinc/28/35/16/385283516.db2.gz QUZRMJFKXDYSMQ-UHFFFAOYSA-N 0 0 235.264 2.696 50 0 BFAARN Clc1n[nH]c(-c2cccc(Cl)c2)n1 ZINC000064875211 385289495 /nfs/dbraw/zinc/28/94/95/385289495.db2.gz ACPNXXXTLIJXGN-UHFFFAOYSA-N 0 0 214.055 2.779 50 0 BFAARN O=C1CC[C@H](OCc2ccccc2)C[C@@H]1F ZINC000166958992 385290984 /nfs/dbraw/zinc/29/09/84/385290984.db2.gz KBAAMMVYXJFIMQ-RYUDHWBXSA-N 0 0 222.259 2.663 50 0 BFAARN Cc1ccc(F)cc1CN(C)Cc1cnccn1 ZINC000180002154 385291484 /nfs/dbraw/zinc/29/14/84/385291484.db2.gz VREJCTQNHZJAPM-UHFFFAOYSA-N 0 0 245.301 2.556 50 0 BFAARN CCOc1cccc(F)c1Br ZINC000167026509 385294796 /nfs/dbraw/zinc/29/47/96/385294796.db2.gz LIZMPQKWCJCBIM-UHFFFAOYSA-N 0 0 219.053 2.987 50 0 BFAARN c1cc2c(ncnc2N2C[C@H]3CCC[C@@H]3C2)s1 ZINC000098019107 385358135 /nfs/dbraw/zinc/35/81/35/385358135.db2.gz AFJFPQDCNPLBGB-NXEZZACHSA-N 0 0 245.351 2.928 50 0 BFAARN C[C@@H]1Cc2ccccc2[C@@H]1Nc1cnn(C)c1 ZINC000157327329 385495318 /nfs/dbraw/zinc/49/53/18/385495318.db2.gz IAIYKUVPTSCWJL-QMTHXVAHSA-N 0 0 227.311 2.766 50 0 BFAARN CC[C@H](NC(=O)C1CC1)c1ccccc1 ZINC000002765925 385512750 /nfs/dbraw/zinc/51/27/50/385512750.db2.gz MKLNLCLJYJQFQC-LBPRGKRZSA-N 0 0 203.285 2.664 50 0 BFAARN CCCCNC(=O)Cn1ccc2ccccc21 ZINC000004676565 385595510 /nfs/dbraw/zinc/59/55/10/385595510.db2.gz WQNMELAMTSFQPT-UHFFFAOYSA-N 0 0 230.311 2.558 50 0 BFAARN O=C(/C=C/c1ccccc1Cl)NC1CC1 ZINC000005678542 385636735 /nfs/dbraw/zinc/63/67/35/385636735.db2.gz JQFABAIFMDEKRY-VMPITWQZSA-N 0 0 221.687 2.632 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCO2)cc1C ZINC000001054531 385728438 /nfs/dbraw/zinc/72/84/38/385728438.db2.gz CAXVXLIMLXPGLH-JSGCOSHPSA-N 0 0 247.338 2.660 50 0 BFAARN C=Cc1ccc(CCNC(=O)CCC)cc1 ZINC000293301599 385741753 /nfs/dbraw/zinc/74/17/53/385741753.db2.gz MXLGAHNMWBDEDK-UHFFFAOYSA-N 0 0 217.312 2.788 50 0 BFAARN CC(C)(CCO)Nc1cc(F)cc(F)c1 ZINC000257354960 385767148 /nfs/dbraw/zinc/76/71/48/385767148.db2.gz GVDWYCBNHJXMCL-UHFFFAOYSA-N 0 0 215.243 2.538 50 0 BFAARN C[C@@H](NC(=O)c1ccsc1)c1ccncc1 ZINC000012539574 385884511 /nfs/dbraw/zinc/88/45/11/385884511.db2.gz LOWRFHGGQPBERI-SECBINFHSA-N 0 0 232.308 2.634 50 0 BFAARN C[C@H](NC(=O)c1ccsc1)c1ccncc1 ZINC000012539575 385884542 /nfs/dbraw/zinc/88/45/42/385884542.db2.gz LOWRFHGGQPBERI-VIFPVBQESA-N 0 0 232.308 2.634 50 0 BFAARN Cc1nc(/C=C2/C(=O)Nc3ccccc32)cs1 ZINC000022130813 385897624 /nfs/dbraw/zinc/89/76/24/385897624.db2.gz NPQPZBQWFWAJFT-IZZDOVSWSA-N 0 0 242.303 2.944 50 0 BFAARN COC(=O)c1cc(Cl)c(Cl)cc1OC ZINC000045957406 385917371 /nfs/dbraw/zinc/91/73/71/385917371.db2.gz JNYABXQGKADMCQ-UHFFFAOYSA-N 0 0 235.066 2.789 50 0 BFAARN FC(F)Oc1cc(C(F)(F)F)ccn1 ZINC000216170237 385862891 /nfs/dbraw/zinc/86/28/91/385862891.db2.gz CIMBPICIHTZGRO-UHFFFAOYSA-N 0 0 213.105 2.702 50 0 BFAARN Cc1ccnc(NC(=O)Cc2ccsc2)c1 ZINC000012537734 385872710 /nfs/dbraw/zinc/87/27/10/385872710.db2.gz VPUMOAVLFGWXIS-UHFFFAOYSA-N 0 0 232.308 2.633 50 0 BFAARN COc1cc2c(Cl)nsc2c(OC)c1 ZINC000033359425 386037039 /nfs/dbraw/zinc/03/70/39/386037039.db2.gz CNPMNTAOWGNMLB-UHFFFAOYSA-N 0 0 229.688 2.967 50 0 BFAARN C[C@H](NCc1nccn1C)c1cccc(Cl)c1 ZINC000037978978 386112707 /nfs/dbraw/zinc/11/27/07/386112707.db2.gz CQLHLFFFQAURSP-JTQLQIEISA-N 0 0 249.745 2.924 50 0 BFAARN N=[S@@](=O)(c1ccc(F)cc1)C(F)(F)F ZINC000100241788 386091443 /nfs/dbraw/zinc/09/14/43/386091443.db2.gz ZHIJDUORJHKUMW-CQSZACIVSA-N 0 0 227.182 2.751 50 0 BFAARN O=CNc1ccc2c(c1)Cc1ccccc1-2 ZINC000000393703 386145919 /nfs/dbraw/zinc/14/59/19/386145919.db2.gz DOSNGAGLKBWUSU-UHFFFAOYSA-N 0 0 209.248 2.826 50 0 BFAARN COC(=O)c1cc(F)cc(Cl)c1Cl ZINC000263623883 386157880 /nfs/dbraw/zinc/15/78/80/386157880.db2.gz LOOZPCXZXVEWBX-UHFFFAOYSA-N 0 0 223.030 2.919 50 0 BFAARN C[C@@H]1C[C@H]1c1nc(-c2cnc3ccccn23)no1 ZINC000225553462 386202618 /nfs/dbraw/zinc/20/26/18/386202618.db2.gz LNMPVLLCUBCXLA-RKDXNWHRSA-N 0 0 240.266 2.508 50 0 BFAARN CC(C)C[C@H](C)N(C)C(=O)CC[C@@H]1CCCO1 ZINC000040508850 386214561 /nfs/dbraw/zinc/21/45/61/386214561.db2.gz NDNVIEWESSBOOK-STQMWFEESA-N 0 0 241.375 2.839 50 0 BFAARN O=C1c2cc(Cl)sc2CN2CCCC[C@H]12 ZINC000040556302 386221679 /nfs/dbraw/zinc/22/16/79/386221679.db2.gz AYWOVIJZTVYYCT-MRVPVSSYSA-N 0 0 241.743 2.952 50 0 BFAARN C[C@H](NC(=O)C(C)(C)C(F)F)c1nccs1 ZINC000225397238 386192084 /nfs/dbraw/zinc/19/20/84/386192084.db2.gz ZTSPHUABBDHQJI-LURJTMIESA-N 0 0 248.298 2.612 50 0 BFAARN CC(C)c1nccn1Cc1cncc(F)c1 ZINC000225429750 386194198 /nfs/dbraw/zinc/19/41/98/386194198.db2.gz MUCBIIOPRLEYPC-UHFFFAOYSA-N 0 0 219.263 2.589 50 0 BFAARN CCSCCSCc1cnns1 ZINC000298293967 386320604 /nfs/dbraw/zinc/32/06/04/386320604.db2.gz QGEWGYVUWOIBPH-UHFFFAOYSA-N 0 0 220.388 2.524 50 0 BFAARN CCCCNC(=O)Nc1cccc(COC)c1 ZINC000044935749 386340747 /nfs/dbraw/zinc/34/07/47/386340747.db2.gz KNLUBJAMMGESPB-UHFFFAOYSA-N 0 0 236.315 2.755 50 0 BFAARN O=CNC1(Cc2ccccc2)CCCCC1 ZINC000034536768 386444426 /nfs/dbraw/zinc/44/44/26/386444426.db2.gz VXZWTFHMRUWNLD-UHFFFAOYSA-N 0 0 217.312 2.678 50 0 BFAARN COC(=O)c1c(C)cc(Cl)cc1F ZINC000299889020 386496711 /nfs/dbraw/zinc/49/67/11/386496711.db2.gz CGLYTKBVCSPYLN-UHFFFAOYSA-N 0 0 202.612 2.574 50 0 BFAARN CCO[C@H](C)c1nccn1Cc1nc(C)c(C)o1 ZINC000124299318 386588945 /nfs/dbraw/zinc/58/89/45/386588945.db2.gz BNKVMYHFKANOBL-LLVKDONJSA-N 0 0 249.314 2.634 50 0 BFAARN CCc1cc(CCCn2ccnc2CC)on1 ZINC000241965584 386546792 /nfs/dbraw/zinc/54/67/92/386546792.db2.gz UUAVRXPJXWFBJD-UHFFFAOYSA-N 0 0 233.315 2.629 50 0 BFAARN O=C1Nc2cc3oc4ccccc4c3cc2C1=O ZINC000004027009 386648932 /nfs/dbraw/zinc/64/89/32/386648932.db2.gz QTYBUFZPADYYOG-UHFFFAOYSA-N 0 0 237.214 2.721 50 0 biogenic BFAARN C[C@@H]1C[C@H](O)[C@@H]2C=C(Cl)C=C[C@@H]2S1 ZINC000004110318 386604429 /nfs/dbraw/zinc/60/44/29/386604429.db2.gz CDLMBTLYJNUUMV-CUJWVEQBSA-N 0 0 216.733 2.550 50 0 BFAARN CC[C@@H](NC(=O)CC(C)=C(C)C)[C@@H](O)C(C)C ZINC000585132217 386679091 /nfs/dbraw/zinc/67/90/91/386679091.db2.gz QQJLGKIRUHUJEX-OCCSQVGLSA-N 0 0 241.375 2.645 50 0 BFAARN Brc1cnc(Cc2ccccc2)cn1 ZINC000585672393 386696230 /nfs/dbraw/zinc/69/62/30/386696230.db2.gz LCMDRWCVTHCHDN-UHFFFAOYSA-N 0 0 249.111 2.830 50 0 BFAARN CC(C)(CCO)Nc1ccc(Cl)cc1 ZINC000258859380 386722186 /nfs/dbraw/zinc/72/21/86/386722186.db2.gz CBNKWOJREOTMPN-UHFFFAOYSA-N 0 0 213.708 2.913 50 0 BFAARN CCc1ccccc1NC(=O)c1coc(C)n1 ZINC000022606339 386726248 /nfs/dbraw/zinc/72/62/48/386726248.db2.gz FFRCYZJNKLTZHU-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN C[C@@H]1CN(Cc2ccon2)c2cccc(F)c2O1 ZINC000185981669 386787361 /nfs/dbraw/zinc/78/73/61/386787361.db2.gz AHNDCUQATPKRFC-SECBINFHSA-N 0 0 248.257 2.601 50 0 BFAARN Cc1ccc(C(=O)N[C@H](C)c2cccnc2)cc1 ZINC000032731623 386815814 /nfs/dbraw/zinc/81/58/14/386815814.db2.gz ZXXIGCQOYSVQBE-GFCCVEGCSA-N 0 0 240.306 2.881 50 0 BFAARN CCN(C)C(=O)Nc1cccc2cccnc21 ZINC000075126731 386877659 /nfs/dbraw/zinc/87/76/59/386877659.db2.gz USPSKTFSCFECKX-UHFFFAOYSA-N 0 0 229.283 2.718 50 0 BFAARN CCOc1ncccc1NCc1scnc1C ZINC000088869290 386992357 /nfs/dbraw/zinc/99/23/57/386992357.db2.gz JNGVGTHWYZFYGC-UHFFFAOYSA-N 0 0 249.339 2.857 50 0 BFAARN COCc1nc(-c2cc3ccccc3o2)no1 ZINC000088338018 387019812 /nfs/dbraw/zinc/01/98/12/387019812.db2.gz UBSHCWWNJCECAE-UHFFFAOYSA-N 0 0 230.223 2.629 50 0 BFAARN CC(C)C[C@H](C)N1Cc2ccccc2OCC1=O ZINC000075165441 387122333 /nfs/dbraw/zinc/12/23/33/387122333.db2.gz YFNHQYNGCNUNGH-LBPRGKRZSA-N 0 0 247.338 2.842 50 0 BFAARN CC(C)CNC(=O)CCc1ccc2cc[nH]c2c1 ZINC000075550851 387155716 /nfs/dbraw/zinc/15/57/16/387155716.db2.gz GRRCGPIHPYYLGB-UHFFFAOYSA-N 0 0 244.338 2.873 50 0 BFAARN Cc1ccccc1CN(C)C(=O)[C@@H]1C[C@@H]1C ZINC000033000273 387172277 /nfs/dbraw/zinc/17/22/77/387172277.db2.gz OZIRTQZYWORYAY-WCQYABFASA-N 0 0 217.312 2.609 50 0 BFAARN Cc1[nH]ccc1C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000089536731 387178530 /nfs/dbraw/zinc/17/85/30/387178530.db2.gz PSQYANVRKGFDHX-TXEJJXNPSA-N 0 0 232.327 2.585 50 0 BFAARN CC(C)c1nsc(N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000089893695 387188830 /nfs/dbraw/zinc/18/88/30/387188830.db2.gz HXLPXGKROWDMMH-UWVGGRQHSA-N 0 0 237.372 2.898 50 0 BFAARN Cc1ccc(S(=O)(=O)CC(C)(C)C)cc1 ZINC000000399394 387218910 /nfs/dbraw/zinc/21/89/10/387218910.db2.gz DADNWSCRYXGOGY-UHFFFAOYSA-N 0 0 226.341 2.815 50 0 BFAARN CC(C)CCNc1nc(N)c2ccccc2n1 ZINC000064553551 387219880 /nfs/dbraw/zinc/21/98/80/387219880.db2.gz CIFGNZPLDFCNPW-UHFFFAOYSA-N 0 0 230.315 2.670 50 0 BFAARN Cc1cc(CN(C)C(=O)c2ccccc2C)on1 ZINC000064555660 387221454 /nfs/dbraw/zinc/22/14/54/387221454.db2.gz VQSBXPVOEQNEMR-UHFFFAOYSA-N 0 0 244.294 2.564 50 0 BFAARN CC(C)(C)c1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000064556992 387221730 /nfs/dbraw/zinc/22/17/30/387221730.db2.gz AIOXRRQGLTYYRS-UHFFFAOYSA-N 0 0 246.266 2.763 50 0 BFAARN CCc1cc(O)ccc1NC(=O)[C@H]1C[C@@H]1C ZINC000191014930 387200400 /nfs/dbraw/zinc/20/04/00/387200400.db2.gz GPUSEFGLBZWAAO-KWQFWETISA-N 0 0 219.284 2.549 50 0 BFAARN Cc1ccn(C/C=C\c2ccccc2)c(=O)c1 ZINC000102601855 387267995 /nfs/dbraw/zinc/26/79/95/387267995.db2.gz WBKCPOBNFJGNNM-YVMONPNESA-N 0 0 225.291 2.870 50 0 BFAARN CC(=O)Nc1cccc2cccc(O)c21 ZINC000043214614 387273600 /nfs/dbraw/zinc/27/36/00/387273600.db2.gz XHOWGWWNFSHBAM-UHFFFAOYSA-N 0 0 201.225 2.504 50 0 BFAARN O=C1CC23CC(=O)CC2(C1)CCC=CCC3 ZINC000044082494 387273998 /nfs/dbraw/zinc/27/39/98/387273998.db2.gz MDWDWJVMUJQULA-UHFFFAOYSA-N 0 0 218.296 2.815 50 0 BFAARN O=C1OCC[C@]23CC=CC[C@]12CCCC3 ZINC000045028075 387274162 /nfs/dbraw/zinc/27/41/62/387274162.db2.gz ITCACGSPBXVUJH-OLZOCXBDSA-N 0 0 206.285 2.830 50 0 BFAARN C[C@@H]1[C@]23CC=CC[C@]2(CS1(=O)=O)CCCC3 ZINC000101036942 387298337 /nfs/dbraw/zinc/29/83/37/387298337.db2.gz ZTXAGCGGJCSEOI-JHJVBQTASA-N 0 0 240.368 2.700 50 0 BFAARN COc1ccc(OC)c2c1[C@H]1[C@H]3C[C@@H]2[C@H]31 ZINC000247915063 387330306 /nfs/dbraw/zinc/33/03/06/387330306.db2.gz VTSCFAUQUCVNCR-OWMSVYEGSA-N 0 0 202.253 2.534 50 0 BFAARN O[C@@H]1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@H]1[C@H]23 ZINC000253615864 387344775 /nfs/dbraw/zinc/34/47/75/387344775.db2.gz CFWGFWXYQMMSFE-XHXGSEDSSA-N 0 0 224.303 2.883 50 0 BFAARN CCCCC[S@@](=O)c1ccc(OC)cc1 ZINC000191177912 387351376 /nfs/dbraw/zinc/35/13/76/387351376.db2.gz CODJJWTUGPDBDZ-OAHLLOKOSA-N 0 0 226.341 2.993 50 0 BFAARN CCCCC[S@](=O)c1ccccc1OC ZINC000191181462 387351574 /nfs/dbraw/zinc/35/15/74/387351574.db2.gz JSJBFZUCSXEQHF-HNNXBMFYSA-N 0 0 226.341 2.993 50 0 BFAARN C[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccccc1 ZINC000034584406 387423944 /nfs/dbraw/zinc/42/39/44/387423944.db2.gz YXZISSQOFIZLNX-JTQLQIEISA-N 0 0 249.310 2.783 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)Nc1cccc2ncccc21 ZINC000032750124 387442297 /nfs/dbraw/zinc/44/22/97/387442297.db2.gz JSTKKYQEQZNXOC-ONGXEEELSA-N 0 0 226.279 2.829 50 0 BFAARN C[C@H](CO)CSCc1nc2ccccc2o1 ZINC000085139021 387455099 /nfs/dbraw/zinc/45/50/99/387455099.db2.gz ULSVZDJLPXLBAX-SECBINFHSA-N 0 0 237.324 2.689 50 0 BFAARN Cc1csc(CNc2cnn(C(C)C)c2)n1 ZINC000092564908 387457637 /nfs/dbraw/zinc/45/76/37/387457637.db2.gz LKABGDSAGJXEGF-UHFFFAOYSA-N 0 0 236.344 2.841 50 0 BFAARN CCOP(=O)(NNc1ccccc1)OCC ZINC000001688929 387395359 /nfs/dbraw/zinc/39/53/59/387395359.db2.gz LUKWTHFOBVUTMZ-UHFFFAOYSA-N 0 0 244.231 2.784 50 0 BFAARN C[C@@H]1CCCCN1C(=O)c1ccsc1 ZINC000032731259 387402108 /nfs/dbraw/zinc/40/21/08/387402108.db2.gz PQQLYHSVKNOYDP-SECBINFHSA-N 0 0 209.314 2.763 50 0 BFAARN O=C(Nc1cnc2c(c1)CCC2)c1ccsc1 ZINC000575316787 387536883 /nfs/dbraw/zinc/53/68/83/387536883.db2.gz ZVEGAJLJZMSKJG-UHFFFAOYSA-N 0 0 244.319 2.884 50 0 BFAARN CCN(C(=O)OC(C)(C)C)c1ccncc1 ZINC000096461107 387463377 /nfs/dbraw/zinc/46/33/77/387463377.db2.gz HQHCOYBKMNJBQF-UHFFFAOYSA-N 0 0 222.288 2.843 50 0 BFAARN Cc1ccc(C(=O)NCCc2ccco2)c(C)c1 ZINC000013012578 387478938 /nfs/dbraw/zinc/47/89/38/387478938.db2.gz LTSQPHSHPZTNEG-UHFFFAOYSA-N 0 0 243.306 2.869 50 0 BFAARN C/C=C\CS[C@@H](C)C(=O)NC1CCCC1 ZINC000104100081 387483062 /nfs/dbraw/zinc/48/30/62/387483062.db2.gz SVASQDZITJCGJW-XOULXFPDSA-N 0 0 227.373 2.743 50 0 BFAARN CCOc1ncccc1-c1cnn(CC2CC2)c1 ZINC000426667330 387583809 /nfs/dbraw/zinc/58/38/09/387583809.db2.gz GTZCMHDZEJPUOS-UHFFFAOYSA-N 0 0 243.310 2.754 50 0 BFAARN CCc1nc(-c2ccc(OC(C)C)cc2)nn1C ZINC000426684550 387586816 /nfs/dbraw/zinc/58/68/16/387586816.db2.gz SKPBAGVSQCNHQU-UHFFFAOYSA-N 0 0 245.326 2.832 50 0 BFAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccoc1 ZINC000036883501 387558493 /nfs/dbraw/zinc/55/84/93/387558493.db2.gz OEFPURVUACOOSG-SNVBAGLBSA-N 0 0 227.263 2.871 50 0 BFAARN CC[C@@H]1CCCN(Cc2nnsc2Cl)C1 ZINC000035249197 387561130 /nfs/dbraw/zinc/56/11/30/387561130.db2.gz KIRLXXCSINKOEC-MRVPVSSYSA-N 0 0 245.779 2.814 50 0 BFAARN NC(=O)c1ccc(/C=C/C2CCCCC2)nc1 ZINC000426382592 387563110 /nfs/dbraw/zinc/56/31/10/387563110.db2.gz CQTDLPUOKYZADS-SOFGYWHQSA-N 0 0 230.311 2.774 50 0 BFAARN Cc1cnc(C)nc1-c1cccc(N(C)C)c1 ZINC000426438965 387570246 /nfs/dbraw/zinc/57/02/46/387570246.db2.gz QAIKJEKZNZHZMP-UHFFFAOYSA-N 0 0 227.311 2.826 50 0 BFAARN Cn1nc(-c2cc3ccccc3s2)ccc1=O ZINC000426465120 387572493 /nfs/dbraw/zinc/57/24/93/387572493.db2.gz HAGRYNMAXSLXBM-UHFFFAOYSA-N 0 0 242.303 2.662 50 0 BFAARN Cc1noc(-c2ccnc(-c3ccncc3)c2)n1 ZINC000426477922 387574359 /nfs/dbraw/zinc/57/43/59/387574359.db2.gz MHMOUMKHQCOZBB-UHFFFAOYSA-N 0 0 238.250 2.502 50 0 BFAARN c1nn2cccnc2c1-c1cccc2cnccc21 ZINC000426490782 387574400 /nfs/dbraw/zinc/57/44/00/387574400.db2.gz YEFJTBPFWCDVGR-UHFFFAOYSA-N 0 0 246.273 2.945 50 0 BFAARN Cc1c[nH]c([C@@H](C)NC(=O)CCC(C)(C)C)n1 ZINC000426526050 387579237 /nfs/dbraw/zinc/57/92/37/387579237.db2.gz JSCDNTHSORXRHT-SNVBAGLBSA-N 0 0 237.347 2.722 50 0 BFAARN CSc1ccc(NCc2cccnc2)cn1 ZINC000089496599 387657658 /nfs/dbraw/zinc/65/76/58/387657658.db2.gz JWMVLXZQAKNWHU-UHFFFAOYSA-N 0 0 231.324 2.811 50 0 BFAARN Cc1csc(COC(=O)[C@@H]2CC=CCC2)n1 ZINC000078949360 387747395 /nfs/dbraw/zinc/74/73/95/387747395.db2.gz HGTCZOLCEHMNHD-SNVBAGLBSA-N 0 0 237.324 2.851 50 0 BFAARN O=C([O-])CC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000238160378 387727720 /nfs/dbraw/zinc/72/77/20/387727720.db2.gz PURSBKOHPOBOAJ-CQSZACIVSA-N 0 0 247.338 2.558 50 0 BFAARN Cc1cc(C)cc(NC(=O)c2cnc(C)cn2)c1 ZINC000006386892 177908062 /nfs/dbraw/zinc/90/80/62/177908062.db2.gz OZBRLUYQGWKZRV-UHFFFAOYSA-N 0 0 241.294 2.654 50 0 BFAARN Nc1nnc(SC/C=C\c2ccccc2)s1 ZINC000006440847 387776015 /nfs/dbraw/zinc/77/60/15/387776015.db2.gz DSHMRHVZMCWXOA-DAXSKMNVSA-N 0 0 249.364 2.926 50 0 BFAARN Clc1ccc2[nH]c(Br)nc2c1 ZINC000149222171 387853759 /nfs/dbraw/zinc/85/37/59/387853759.db2.gz IAEGJEFWTVJXPB-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Cc1ccc(CNC(=O)c2cccc(O)c2)cc1 ZINC000019840231 387861363 /nfs/dbraw/zinc/86/13/63/387861363.db2.gz VAAGJEGCKGUTQM-UHFFFAOYSA-N 0 0 241.290 2.631 50 0 BFAARN COC(=O)c1cc(NC(C)C)ccc1Cl ZINC000036918992 387871825 /nfs/dbraw/zinc/87/18/25/387871825.db2.gz BSRNRPYIJSBNEC-UHFFFAOYSA-N 0 0 227.691 2.947 50 0 BFAARN C/C=C/C=C/C(=O)Nc1cc(OC)ccc1OC ZINC000040459732 387890364 /nfs/dbraw/zinc/89/03/64/387890364.db2.gz CCFZWYHDNAYWIF-YTXTXJHMSA-N 0 0 247.294 2.775 50 0 BFAARN Cc1cc(C)c(NC(=O)[C@H]2CCCO2)c(C)c1 ZINC000000483736 177865756 /nfs/dbraw/zinc/86/57/56/177865756.db2.gz GNANZGAOCXOCEI-GFCCVEGCSA-N 0 0 233.311 2.729 50 0 BFAARN Cc1cscc1NC(=O)CC(F)(F)F ZINC000151288772 387965729 /nfs/dbraw/zinc/96/57/29/387965729.db2.gz RCVIYTJBIOYCKO-UHFFFAOYSA-N 0 0 223.219 2.947 50 0 BFAARN CC(C)(C)c1ccc(N2C(=N)SCC2=O)cc1 ZINC000004382699 322813118 /nfs/dbraw/zinc/81/31/18/322813118.db2.gz YTLICRYXMYRUQB-UHFFFAOYSA-N 0 0 248.351 2.999 50 0 BFAARN CNc1nc(-c2ccc(OC)c(F)c2)cs1 ZINC000007274112 387998111 /nfs/dbraw/zinc/99/81/11/387998111.db2.gz DSRYNBFCFCGMAD-UHFFFAOYSA-N 0 0 238.287 3.000 50 0 BFAARN CC(C)CCN1C(=O)CN(c2ccccc2)C1=O ZINC000065539448 388085462 /nfs/dbraw/zinc/08/54/62/388085462.db2.gz IHJJTVQNWBOVOX-UHFFFAOYSA-N 0 0 246.310 2.501 50 0 BFAARN Cc1ccccc1-n1ncc(N)c1C(F)F ZINC000085634356 388093020 /nfs/dbraw/zinc/09/30/20/388093020.db2.gz YYZZSLRFUVIKMK-UHFFFAOYSA-N 0 0 223.226 2.701 50 0 BFAARN S=c1[n-]nc(CCc2ccccc2Cl)o1 ZINC000071550305 388098577 /nfs/dbraw/zinc/09/85/77/388098577.db2.gz GFLIMBIBARPJOB-UHFFFAOYSA-N 0 0 240.715 2.797 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000071853718 388121260 /nfs/dbraw/zinc/12/12/60/388121260.db2.gz LCSKOWQGWZJIGA-VXNVDRBHSA-N 0 0 241.693 2.751 50 0 BFAARN Cc1nc(C(=O)Nc2ccccc2)c(C)o1 ZINC000065293410 388256214 /nfs/dbraw/zinc/25/62/14/388256214.db2.gz SHXSZNQNEJEMGY-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN CC(C)[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)C(=O)[O-] ZINC000170090853 388258142 /nfs/dbraw/zinc/25/81/42/388258142.db2.gz RVGLVGIPCAZXPC-VXGBXAGGSA-N 0 0 241.375 2.902 50 0 BFAARN CC(=O)Nc1nn([C@H](C)c2ccccc2)cc1C ZINC000170607515 388246709 /nfs/dbraw/zinc/24/67/09/388246709.db2.gz AXZGEJSSPBKFNY-LLVKDONJSA-N 0 0 243.310 2.759 50 0 BFAARN CCOc1cc(O)ccc1NC(=O)CC1CC1 ZINC000170611573 388247277 /nfs/dbraw/zinc/24/72/77/388247277.db2.gz KILUHULGXCLGMP-UHFFFAOYSA-N 0 0 235.283 2.530 50 0 BFAARN CCCC(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000070248209 388300637 /nfs/dbraw/zinc/30/06/37/388300637.db2.gz PELNFSZSCWTHAH-UHFFFAOYSA-N 0 0 241.294 2.882 50 0 BFAARN CCN(CC)C(=O)[C@@H](C)Sc1ccoc1C ZINC000131494438 388346070 /nfs/dbraw/zinc/34/60/70/388346070.db2.gz FYQWZJJAISAQBN-SNVBAGLBSA-N 0 0 241.356 2.937 50 0 BFAARN Cc1noc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)n1 ZINC000230057386 388349289 /nfs/dbraw/zinc/34/92/89/388349289.db2.gz GOSWMGQZUSIBPG-VXGBXAGGSA-N 0 0 235.331 2.533 50 0 BFAARN CC(C)c1noc([C@H]2CCC(=O)C[C@@H]2C)n1 ZINC000162579435 388354098 /nfs/dbraw/zinc/35/40/98/388354098.db2.gz BJTDUZVYEIXDIB-WPRPVWTQSA-N 0 0 222.288 2.666 50 0 BFAARN COc1ccccc1C(C)N=Nc1ccccn1 ZINC000254730169 388354540 /nfs/dbraw/zinc/35/45/40/388354540.db2.gz PHRYTASZFLMOPR-UHFFFAOYSA-N 0 0 241.294 2.926 50 0 BFAARN CC[C@H](NC(=O)C[C@@H]1C=CCC1)C(C)C ZINC000057410528 388359998 /nfs/dbraw/zinc/35/99/98/388359998.db2.gz DVAFCOULTQUJSB-NEPJUHHUSA-N 0 0 209.333 2.894 50 0 BFAARN O=C([O-])CC[NH2+]Cc1c(Cl)cccc1Cl ZINC000003026221 388360444 /nfs/dbraw/zinc/36/04/44/388360444.db2.gz VJHMEJSSMAWDQU-UHFFFAOYSA-N 0 0 248.109 2.558 50 0 BFAARN Cc1ccc(CC(=O)Nc2ncccc2C)cc1 ZINC000057529762 388361493 /nfs/dbraw/zinc/36/14/93/388361493.db2.gz XXSIAJULELWLGG-UHFFFAOYSA-N 0 0 240.306 2.880 50 0 BFAARN Cc1csc(N(C(=O)[C@H]2C[C@H]2C)C2CC2)n1 ZINC000089705684 388362842 /nfs/dbraw/zinc/36/28/42/388362842.db2.gz PYSKWZIICCLNKU-XCBNKYQSSA-N 0 0 236.340 2.603 50 0 BFAARN Clc1ccc(SCc2cscn2)nn1 ZINC000089794330 388366758 /nfs/dbraw/zinc/36/67/58/388366758.db2.gz WBGYSPVCMQUTLJ-UHFFFAOYSA-N 0 0 243.744 2.879 50 0 BFAARN Cc1nc(CSc2ccc(F)cc2F)no1 ZINC000057707828 388367120 /nfs/dbraw/zinc/36/71/20/388367120.db2.gz HBRCZCMNCZDKLU-UHFFFAOYSA-N 0 0 242.250 2.949 50 0 BFAARN CC1(C)CC(=O)NC=C(c2ccccc2)C1 ZINC000003238008 388370206 /nfs/dbraw/zinc/37/02/06/388370206.db2.gz PYPPQKIUYYGXCH-UHFFFAOYSA-N 0 0 215.296 2.964 50 0 BFAARN C/C=C/C=C\C(=O)N[C@H]1CCOc2ccccc21 ZINC000254869839 388382576 /nfs/dbraw/zinc/38/25/76/388382576.db2.gz MCWCQEWWDGHTRI-PPFVNREHSA-N 0 0 243.306 2.759 50 0 BFAARN CSCC(=O)Nc1ccc(C)cc1Cl ZINC000012913591 388400875 /nfs/dbraw/zinc/40/08/75/388400875.db2.gz RKUKDWAHANWWRU-UHFFFAOYSA-N 0 0 229.732 2.950 50 0 BFAARN Cc1c(N[C@@H]2CCO[C@@H]2C)cnn1C1CCCC1 ZINC000195456702 388471663 /nfs/dbraw/zinc/47/16/63/388471663.db2.gz PPBAZISJLKBGBZ-DGCLKSJQSA-N 0 0 249.358 2.896 50 0 BFAARN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1N ZINC000021961253 177752202 /nfs/dbraw/zinc/75/22/02/177752202.db2.gz XNKOSPCLXTUOGF-NSHDSACASA-N 0 0 232.327 2.592 50 0 BFAARN Cc1cc2[nH]c(C(=O)NCC3CC3)cc2c(C)c1 ZINC000040051577 388411712 /nfs/dbraw/zinc/41/17/12/388411712.db2.gz DETKULAMSVWEMO-UHFFFAOYSA-N 0 0 242.322 2.925 50 0 BFAARN CC(C)CSc1nnc(C(C)(C)C)[nH]1 ZINC000040034460 388412039 /nfs/dbraw/zinc/41/20/39/388412039.db2.gz WVRRCKZKBPVCBH-UHFFFAOYSA-N 0 0 213.350 2.850 50 0 BFAARN C[C@@H]1CCC[C@H](NC(=O)c2ccco2)[C@H]1C ZINC000245228348 388413893 /nfs/dbraw/zinc/41/38/93/388413893.db2.gz RZGCUTGKLOKALL-VWYCJHECSA-N 0 0 221.300 2.834 50 0 BFAARN CC/C=C(/C)C(=O)NCc1cc(F)cc(F)c1 ZINC000069375681 388415331 /nfs/dbraw/zinc/41/53/31/388415331.db2.gz NLJDCBFMXMXDEP-WTKPLQERSA-N 0 0 239.265 2.937 50 0 BFAARN CC[C@@H](C)C(=O)N[C@@H](C)Cc1cccs1 ZINC000069413857 388416050 /nfs/dbraw/zinc/41/60/50/388416050.db2.gz HVRGWWISBYQUMV-ZJUUUORDSA-N 0 0 225.357 2.841 50 0 BFAARN CC(C)=CC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000040493626 388418499 /nfs/dbraw/zinc/41/84/99/388418499.db2.gz FUGNZBOIRGEIFX-CYBMUJFWSA-N 0 0 230.311 2.711 50 0 BFAARN O=C(CC[C@@H]1CCCO1)Nc1ccc(F)cc1 ZINC000040505842 388419125 /nfs/dbraw/zinc/41/91/25/388419125.db2.gz PQJFOFGSCWSRKR-LBPRGKRZSA-N 0 0 237.274 2.723 50 0 BFAARN O=C(CC[C@H]1CCCO1)Nc1ccccc1 ZINC000040505823 388419289 /nfs/dbraw/zinc/41/92/89/388419289.db2.gz VNNIHXGPXFBADT-GFCCVEGCSA-N 0 0 219.284 2.584 50 0 BFAARN CCCCNC(=O)Nc1ccccc1COC ZINC000040527945 388420596 /nfs/dbraw/zinc/42/05/96/388420596.db2.gz GMVATXKVSPSNOM-UHFFFAOYSA-N 0 0 236.315 2.755 50 0 BFAARN CCCCNC(=O)Nc1ccccc1N(C)C ZINC000040526926 388420751 /nfs/dbraw/zinc/42/07/51/388420751.db2.gz TVKJXINZRDBJOK-UHFFFAOYSA-N 0 0 235.331 2.674 50 0 BFAARN Cc1ccn(Cc2ccccc2C)c(=O)c1 ZINC000069615846 388422315 /nfs/dbraw/zinc/42/23/15/388422315.db2.gz XXUMDXAAKDKPIV-UHFFFAOYSA-N 0 0 213.280 2.513 50 0 BFAARN c1csc(-c2noc(C3CCOCC3)n2)c1 ZINC000069699176 388424560 /nfs/dbraw/zinc/42/45/60/388424560.db2.gz PLCGDRAWDXJCCY-UHFFFAOYSA-N 0 0 236.296 2.692 50 0 BFAARN Cc1ccc(OCc2nc(CC(C)C)no2)cn1 ZINC000069772947 388426723 /nfs/dbraw/zinc/42/67/23/388426723.db2.gz GNFLLMFQSDZSDG-UHFFFAOYSA-N 0 0 247.298 2.551 50 0 BFAARN FC(F)(F)c1ccc(Cn2ccnc2)cc1 ZINC000070163100 388433333 /nfs/dbraw/zinc/43/33/33/388433333.db2.gz VGQSHPDOXRWNAO-UHFFFAOYSA-N 0 0 226.201 2.950 50 0 BFAARN CON(C)C(=O)CCCC1CCCCC1 ZINC000070153426 388433720 /nfs/dbraw/zinc/43/37/20/388433720.db2.gz TZQYJTOZBWBVOE-UHFFFAOYSA-N 0 0 213.321 2.757 50 0 BFAARN Cc1ccc(C)c(OC(=O)c2cnccn2)c1C ZINC000070667351 388439189 /nfs/dbraw/zinc/43/91/89/388439189.db2.gz BMDKZEJEWGKLDX-UHFFFAOYSA-N 0 0 242.278 2.621 50 0 BFAARN CS[C@@H]1CC[C@@H](Nc2nc(C)cnc2C)C1 ZINC000195563868 388483359 /nfs/dbraw/zinc/48/33/59/388483359.db2.gz PVYSCYILDKTKRE-GHMZBOCLSA-N 0 0 237.372 2.789 50 0 BFAARN COCc1noc(C23CC4CC(CC(C4)C2)C3)n1 ZINC000170651572 388486242 /nfs/dbraw/zinc/48/62/42/388486242.db2.gz ADCYRRGLKOZEFU-UHFFFAOYSA-N 0 0 248.326 2.684 50 0 BFAARN Cc1ccc(C(=O)Nc2ccncc2F)c(F)c1 ZINC000122869260 388528335 /nfs/dbraw/zinc/52/83/35/388528335.db2.gz LXTWRTGZMAAURG-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN C/C=C/C=C\C(=O)N[C@H](C)CCc1ccco1 ZINC000106027592 388594196 /nfs/dbraw/zinc/59/41/96/388594196.db2.gz HFTDWUGTWBUTMO-KXHKJHIESA-N 0 0 233.311 2.849 50 0 BFAARN CC(C)Cc1ncc(Cc2ccccc2)[nH]c1=O ZINC000575440741 388631530 /nfs/dbraw/zinc/63/15/30/388631530.db2.gz XPNFCDPLHVHPHB-UHFFFAOYSA-N 0 0 242.322 2.559 50 0 in-vitro BFAARN Cc1ccc(C)n1CCC(=O)Nc1ccccn1 ZINC000074694542 388651045 /nfs/dbraw/zinc/65/10/45/388651045.db2.gz BSLBNLORRLBTMY-UHFFFAOYSA-N 0 0 243.310 2.529 50 0 BFAARN Cc1cc(Br)cnc1N1CCCC1 ZINC000042783619 177724603 /nfs/dbraw/zinc/72/46/03/177724603.db2.gz BZEGKJPCIKOKKL-UHFFFAOYSA-N 0 0 241.132 2.753 50 0 BFAARN FCCCCCNc1ccc(-n2cncn2)cc1 ZINC000225433062 388693097 /nfs/dbraw/zinc/69/30/97/388693097.db2.gz OYKLMIIRBPBCDS-UHFFFAOYSA-N 0 0 248.305 2.819 50 0 BFAARN Cc1csc(=O)n1Cc1cc(F)cc(F)c1 ZINC000225458553 388703111 /nfs/dbraw/zinc/70/31/11/388703111.db2.gz UDNPBRFIAMGAAG-UHFFFAOYSA-N 0 0 241.262 2.545 50 0 BFAARN Fc1cc(CSc2nc[nH]n2)ccc1Cl ZINC000225499907 388723069 /nfs/dbraw/zinc/72/30/69/388723069.db2.gz IUIQZAQIRGKMJF-UHFFFAOYSA-N 0 0 243.694 2.890 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N(C)Cc1ccccc1Cl ZINC000012979436 388727785 /nfs/dbraw/zinc/72/77/85/388727785.db2.gz MISYTIIRDFJOOG-MWLCHTKSSA-N 0 0 237.730 2.954 50 0 BFAARN CC(C)(C)C(=O)COc1ncnc2ccccc21 ZINC000066275824 388730723 /nfs/dbraw/zinc/73/07/23/388730723.db2.gz NVKPFFMKNZUOEY-UHFFFAOYSA-N 0 0 244.294 2.624 50 0 BFAARN CCSCC[C@H](C)NC(=O)c1ccc(C)o1 ZINC000095962188 388795264 /nfs/dbraw/zinc/79/52/64/388795264.db2.gz KMGSLLRQCDRGGM-VIFPVBQESA-N 0 0 241.356 2.850 50 0 BFAARN CCc1cccc(N(C#N)C[C@@H]2CCOC2)c1 ZINC000095965171 388795630 /nfs/dbraw/zinc/79/56/30/388795630.db2.gz WRMKHMJWINYBHO-ZDUSSCGKSA-N 0 0 230.311 2.573 50 0 BFAARN CC(C)[C@H](C)NC(=O)NC1CCCCC1 ZINC000000388950 388813602 /nfs/dbraw/zinc/81/36/02/388813602.db2.gz XWSLHQWUWZWPIP-JTQLQIEISA-N 0 0 212.337 2.663 50 0 BFAARN CC(C)c1nnc(NCc2ccsc2)o1 ZINC000095990030 388801975 /nfs/dbraw/zinc/80/19/75/388801975.db2.gz LCUQNULICHMYFS-UHFFFAOYSA-N 0 0 223.301 2.867 50 0 BFAARN CO[C@@H](CNC(=O)C1CCC1)c1ccccc1C ZINC000096104905 388807917 /nfs/dbraw/zinc/80/79/17/388807917.db2.gz PNIYJPIHYPVSTK-AWEZNQCLSA-N 0 0 247.338 2.599 50 0 BFAARN CCCCC(=O)Nc1cc(-c2cccnc2)no1 ZINC000096184020 388809696 /nfs/dbraw/zinc/80/96/96/388809696.db2.gz FIYGCDVSFVWLQD-UHFFFAOYSA-N 0 0 245.282 2.865 50 0 BFAARN CC[C@H](CC(=O)N(C)C)c1ccc(C)cc1 ZINC000155591305 388763827 /nfs/dbraw/zinc/76/38/27/388763827.db2.gz LRTHOBWZFUBNGQ-GFCCVEGCSA-N 0 0 219.328 2.967 50 0 BFAARN CCN(CC(C)C)C(=O)c1ncoc1C(C)C ZINC000095394674 388766448 /nfs/dbraw/zinc/76/64/48/388766448.db2.gz KVQWOJLWYXHLCI-UHFFFAOYSA-N 0 0 238.331 2.916 50 0 BFAARN O=C(COC1CCCCC1)Nc1cccc(O)c1 ZINC000095426632 388769061 /nfs/dbraw/zinc/76/90/61/388769061.db2.gz NYNOPYRDVKSEOI-UHFFFAOYSA-N 0 0 249.310 2.680 50 0 BFAARN CCSc1ccc(NCc2ncc[nH]2)cn1 ZINC000095430858 388769092 /nfs/dbraw/zinc/76/90/92/388769092.db2.gz ABAIXMUTESJKHV-UHFFFAOYSA-N 0 0 234.328 2.529 50 0 BFAARN Cc1cc(Cl)ccc1NC(=O)NC1CC1 ZINC000000399261 388812585 /nfs/dbraw/zinc/81/25/85/388812585.db2.gz VSPKJIBVHRHJOB-UHFFFAOYSA-N 0 0 224.691 2.932 50 0 BFAARN CCOCCc1nc(-c2cccc(C)c2C)no1 ZINC000020536381 388777607 /nfs/dbraw/zinc/77/76/07/388777607.db2.gz RNJKQGCZXVQRIL-UHFFFAOYSA-N 0 0 246.310 2.932 50 0 BFAARN CN=c1sc(C)c(-c2ccc(OC)cc2)n1C ZINC000254490126 388782688 /nfs/dbraw/zinc/78/26/88/388782688.db2.gz NDLRBVDEOJCWRT-UHFFFAOYSA-N 0 0 248.351 2.601 50 0 BFAARN Cc1cc(Cl)ccc1C(=O)Nc1cnccn1 ZINC000125510366 388790116 /nfs/dbraw/zinc/79/01/16/388790116.db2.gz DZOIRUKBUPBEFV-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN O=C(CCc1ccccc1)Nc1ccncc1F ZINC000096485247 388819241 /nfs/dbraw/zinc/81/92/41/388819241.db2.gz SITLGMSFSMRFJZ-UHFFFAOYSA-N 0 0 244.269 2.792 50 0 BFAARN c1cnc(-c2noc(C3CCCCCC3)n2)cn1 ZINC000096460661 388820580 /nfs/dbraw/zinc/82/05/80/388820580.db2.gz LUSSFJXEXSDZRJ-UHFFFAOYSA-N 0 0 244.298 2.964 50 0 BFAARN O=C(/C=C\c1ccsc1)Nc1nccs1 ZINC000096865489 388826429 /nfs/dbraw/zinc/82/64/29/388826429.db2.gz SQCHANYDUXJQMM-UPHRSURJSA-N 0 0 236.321 2.857 50 0 BFAARN O=C(/C=C\c1ccco1)NC(C1CC1)C1CC1 ZINC000096947578 388828129 /nfs/dbraw/zinc/82/81/29/388828129.db2.gz VOGKDOKOHXTIOT-FPLPWBNLSA-N 0 0 231.295 2.598 50 0 BFAARN CC1CCN(c2cccc(-n3ccnc3)n2)CC1 ZINC000225522430 388829899 /nfs/dbraw/zinc/82/98/99/388829899.db2.gz QPXDPFGMWVZQAN-UHFFFAOYSA-N 0 0 242.326 2.504 50 0 BFAARN CC(=O)c1ccc(C(=O)OCc2ccoc2)cc1 ZINC000097084186 388834063 /nfs/dbraw/zinc/83/40/63/388834063.db2.gz NYHRXDOQRDNEGI-UHFFFAOYSA-N 0 0 244.246 2.839 50 0 BFAARN Cc1cc(-c2ncccc2O)cc(C)c1O ZINC000000186233 177693673 /nfs/dbraw/zinc/69/36/73/177693673.db2.gz ZDAYEXUWLVRVHO-UHFFFAOYSA-N 0 0 215.252 2.777 50 0 BFAARN CSCc1cccc(CNc2cnccn2)c1 ZINC000302497791 388845490 /nfs/dbraw/zinc/84/54/90/388845490.db2.gz NINIFQWUDKARLF-UHFFFAOYSA-N 0 0 245.351 2.952 50 0 BFAARN C[C@@H]1SCCN1C(=O)Nc1ccccc1 ZINC000028232214 388847605 /nfs/dbraw/zinc/84/76/05/388847605.db2.gz KWXIMEFYCLPUIQ-VIFPVBQESA-N 0 0 222.313 2.613 50 0 BFAARN C[C@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cnn2C)C1 ZINC000194621350 388849441 /nfs/dbraw/zinc/84/94/41/388849441.db2.gz KTIISIGUYLKCRX-VHSXEESVSA-N 0 0 241.766 2.742 50 0 BFAARN CCO[C@@H](C(=O)OC(C)C)c1ccccc1 ZINC000194867171 388901670 /nfs/dbraw/zinc/90/16/70/388901670.db2.gz RETKFSAQRXGKOQ-GFCCVEGCSA-N 0 0 222.284 2.716 50 0 BFAARN CC[C@@H]1c2ccsc2CCN1C(C)=O ZINC000032781315 171162258 /nfs/dbraw/zinc/16/22/58/171162258.db2.gz CDFRBNCHVUZCQI-SNVBAGLBSA-N 0 0 209.314 2.604 50 0 BFAARN O=C1CCOc2cc(Br)cc(F)c21 ZINC000238570814 322818738 /nfs/dbraw/zinc/81/87/38/322818738.db2.gz UQVBCMAIWONHLQ-UHFFFAOYSA-N 0 0 245.047 2.553 50 0 BFAARN O=C(c1ccccn1)N1CCCc2ccccc21 ZINC000001655464 132282275 /nfs/dbraw/zinc/28/22/75/132282275.db2.gz BVXGECKYXHRYEW-UHFFFAOYSA-N 0 0 238.290 2.675 50 0 BFAARN CC1CCN(c2ccc(F)cc2N)CC1 ZINC000002538784 132315193 /nfs/dbraw/zinc/31/51/93/132315193.db2.gz MIEGFPBUSUCAQB-UHFFFAOYSA-N 0 0 208.280 2.644 50 0 BFAARN CN1c2ccccc2C(=O)N[C@H]1c1ccsc1 ZINC000008744612 132319159 /nfs/dbraw/zinc/31/91/59/132319159.db2.gz KDINDEGTUAULHF-GFCCVEGCSA-N 0 0 244.319 2.627 50 0 BFAARN CN1c2ccccc2C(=O)N[C@H]1c1ccccc1 ZINC000008744614 132319189 /nfs/dbraw/zinc/31/91/89/132319189.db2.gz GGASRPKQQISEKD-CQSZACIVSA-N 0 0 238.290 2.565 50 0 BFAARN Nc1ccccc1N1CCc2ccccc2C1 ZINC000012528121 132321278 /nfs/dbraw/zinc/32/12/78/132321278.db2.gz SRFSVLGXQUCGKN-UHFFFAOYSA-N 0 0 224.307 2.832 50 0 BFAARN C[C@@H]1c2ccsc2CCN1c1ncccn1 ZINC000012921217 132321736 /nfs/dbraw/zinc/32/17/36/132321736.db2.gz WPYXLHXCGISKEO-SECBINFHSA-N 0 0 231.324 2.662 50 0 BFAARN CN1c2ccccc2C(=O)NC12CCCCC2 ZINC000034410150 132336332 /nfs/dbraw/zinc/33/63/32/132336332.db2.gz OJKVNBPSRYGYIY-UHFFFAOYSA-N 0 0 230.311 2.527 50 0 BFAARN Clc1ccc2nccc(N3CCOCC3)c2c1 ZINC000041479065 132350376 /nfs/dbraw/zinc/35/03/76/132350376.db2.gz JDHWLXYLUMEEGS-UHFFFAOYSA-N 0 0 248.713 2.725 50 0 BFAARN CC[C@H]1CCCCN1c1cc(Cl)ncn1 ZINC000042783519 132352573 /nfs/dbraw/zinc/35/25/73/132352573.db2.gz ZCNVCNQVGGQFDZ-VIFPVBQESA-N 0 0 225.723 2.899 50 0 BFAARN C[C@H]1CCCN(c2cccc(Cl)n2)C1 ZINC000042783663 132352874 /nfs/dbraw/zinc/35/28/74/132352874.db2.gz QEQOPCURLFSIEM-VIFPVBQESA-N 0 0 210.708 2.971 50 0 BFAARN Cc1cc(N2CCC(C)CC2)ccc1N ZINC000059233849 132368586 /nfs/dbraw/zinc/36/85/86/132368586.db2.gz NZESFHIIJHUTRR-UHFFFAOYSA-N 0 0 204.317 2.814 50 0 BFAARN CC(C)(C)C(=O)N1CCCc2cc(F)cnc21 ZINC000066054219 132390282 /nfs/dbraw/zinc/39/02/82/132390282.db2.gz IUBSHJRDDRRQFV-UHFFFAOYSA-N 0 0 236.290 2.546 50 0 BFAARN O=C(N[C@@H]1C=CCCC1)[C@@H]1CCC(F)(F)C1 ZINC000336082627 134075639 /nfs/dbraw/zinc/07/56/39/134075639.db2.gz WUEBKKQLBAHNSN-NXEZZACHSA-N 0 0 229.270 2.647 50 0 BFAARN CN(CCCCCCO)c1ccc(F)c(F)c1 ZINC000170654447 134877817 /nfs/dbraw/zinc/87/78/17/134877817.db2.gz NMUJLKFLBRCQQS-UHFFFAOYSA-N 0 0 243.297 2.954 50 0 BFAARN Fc1ccc(COc2ccccn2)cc1 ZINC000066059996 134880088 /nfs/dbraw/zinc/88/00/88/134880088.db2.gz KBCXXVFWWGGVPP-UHFFFAOYSA-N 0 0 203.216 2.800 50 0 BFAARN CCC(CC)(C[NH2+][C@H]1CC[C@H](C)C1)C(=O)[O-] ZINC000263061116 135329757 /nfs/dbraw/zinc/32/97/57/135329757.db2.gz MVDCRSGIRHZYEJ-QWRGUYRKSA-N 0 0 227.348 2.656 50 0 BFAARN CCCc1cccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000263442860 135354486 /nfs/dbraw/zinc/35/44/86/135354486.db2.gz XAXMHEODDFCREF-AWEZNQCLSA-N 0 0 247.338 2.688 50 0 BFAARN CC[C@H](C)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000335336425 136055990 /nfs/dbraw/zinc/05/59/90/136055990.db2.gz JDQTUJAOSGIAIM-IUCAKERBSA-N 0 0 219.275 2.727 50 0 BFAARN Cc1coc(C)c1C(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000335343057 136064867 /nfs/dbraw/zinc/06/48/67/136064867.db2.gz ZGKODAJSDMIPAZ-NXEZZACHSA-N 0 0 225.263 2.517 50 0 BFAARN Cc1coc(C)c1C(=O)N[C@H]1CC[C@@H](F)C1 ZINC000335343090 136065136 /nfs/dbraw/zinc/06/51/36/136065136.db2.gz ZGKODAJSDMIPAZ-ZJUUUORDSA-N 0 0 225.263 2.517 50 0 BFAARN CC[C@@H](C)c1ccccc1NC(=O)COC ZINC000000860095 397764626 /nfs/dbraw/zinc/76/46/26/397764626.db2.gz MMTDCPLVFOSBLJ-SNVBAGLBSA-N 0 0 221.300 2.785 50 0 BFAARN CCc1[nH]nc(N[C@H]2CCCSC2)c1C ZINC000097370863 397928912 /nfs/dbraw/zinc/92/89/12/397928912.db2.gz BTGTTZKFYRTNHQ-VIFPVBQESA-N 0 0 225.361 2.588 50 0 BFAARN CCCc1nccn1Cc1cccc(OCC)n1 ZINC000097371772 397931110 /nfs/dbraw/zinc/93/11/10/397931110.db2.gz GOUBYHCNTFXRHX-UHFFFAOYSA-N 0 0 245.326 2.678 50 0 BFAARN CC(=O)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000097372168 397931296 /nfs/dbraw/zinc/93/12/96/397931296.db2.gz VVAAUXMUQTYKCB-ZDUSSCGKSA-N 0 0 217.312 2.639 50 0 BFAARN COc1ccc(CNC(=O)c2cccs2)cc1 ZINC000000029353 397914004 /nfs/dbraw/zinc/91/40/04/397914004.db2.gz IQZQDGIWGKOBJY-UHFFFAOYSA-N 0 0 247.319 2.687 50 0 BFAARN COc1ccc([C@H](CC(C)C)NC(C)=O)cc1 ZINC000033359578 398010967 /nfs/dbraw/zinc/01/09/67/398010967.db2.gz OLQXSIIRAKRIJZ-AWEZNQCLSA-N 0 0 235.327 2.919 50 0 BFAARN Fc1cc(CNc2ccon2)cc(F)c1F ZINC000083355843 398067327 /nfs/dbraw/zinc/06/73/27/398067327.db2.gz MKFQCITUSVBOCM-UHFFFAOYSA-N 0 0 228.173 2.704 50 0 BFAARN CCC12C[C@H]3C[C@@H](C1)CC(OCCO)(C3)C2 ZINC000065336749 398083199 /nfs/dbraw/zinc/08/31/99/398083199.db2.gz UREAHLMKOYWUSL-VTXSZYRJSA-N 0 0 224.344 2.744 50 0 BFAARN CCOc1c(F)cc(N)cc1Br ZINC000065336904 398083233 /nfs/dbraw/zinc/08/32/33/398083233.db2.gz BKPHRBXTKLFFHS-UHFFFAOYSA-N 0 0 234.068 2.569 50 0 BFAARN CNc1cc(C(F)(F)F)cc(Cl)n1 ZINC000066323339 398090947 /nfs/dbraw/zinc/09/09/47/398090947.db2.gz RFATTWKJSLOMMZ-UHFFFAOYSA-N 0 0 210.586 2.796 50 0 BFAARN CCCCCCNc1ncnc2[nH]ccc21 ZINC000066323412 398091023 /nfs/dbraw/zinc/09/10/23/398091023.db2.gz UZQHIDKPCIGMBM-UHFFFAOYSA-N 0 0 218.304 2.950 50 0 BFAARN O=C(CCc1ccsc1)Nc1nccs1 ZINC000007210275 398099009 /nfs/dbraw/zinc/09/90/09/398099009.db2.gz GRVUGMZPXLFBJV-UHFFFAOYSA-N 0 0 238.337 2.776 50 0 BFAARN CC(C)CNc1ncnc2ccccc21 ZINC000000524488 167018608 /nfs/dbraw/zinc/01/86/08/167018608.db2.gz VYWCYZSHFOVZJY-UHFFFAOYSA-N 0 0 201.273 2.698 50 0 BFAARN CC(C)CNc1cccc(C[S@@](C)=O)c1 ZINC000095981678 167016965 /nfs/dbraw/zinc/01/69/65/167016965.db2.gz BIRIOTFJOMREPK-HNNXBMFYSA-N 0 0 225.357 2.633 50 0 BFAARN CC(C)NC(=O)c1cc2ccccc2o1 ZINC000000354510 167085813 /nfs/dbraw/zinc/08/58/13/167085813.db2.gz DHJKLUSUAQEWPB-UHFFFAOYSA-N 0 0 203.241 2.571 50 0 BFAARN Cc1cc(Br)cc2ccc(=O)[nH]c12 ZINC000034164999 177722957 /nfs/dbraw/zinc/72/29/57/177722957.db2.gz NRTSKZZQWFZTTG-UHFFFAOYSA-N 0 0 238.084 2.599 50 0 BFAARN c1cnn(CCSC2=Nc3ccccc3C2)c1 ZINC000119262233 409835346 /nfs/dbraw/zinc/83/53/46/409835346.db2.gz QYXLTIXERWUBQL-UHFFFAOYSA-N 0 0 243.335 2.903 50 0 BFAARN Cc1n[nH]c(C)c1CNc1ccc2cc[nH]c2n1 ZINC000072147733 410025591 /nfs/dbraw/zinc/02/55/91/410025591.db2.gz NVNLUELNUSRJSW-UHFFFAOYSA-N 0 0 241.298 2.515 50 0 BFAARN Brc1ccc(-c2cc[nH]n2)s1 ZINC000003883835 166095709 /nfs/dbraw/zinc/09/57/09/166095709.db2.gz RBOKZFIVGFLORX-UHFFFAOYSA-N 0 0 229.102 2.901 50 0 BFAARN Brc1ccc(-c2cncnc2)cc1 ZINC000114999125 166098012 /nfs/dbraw/zinc/09/80/12/166098012.db2.gz GJBAOBLGEYEVMJ-UHFFFAOYSA-N 0 0 235.084 2.906 50 0 BFAARN Brc1ccc(Cn2ccnc2)cc1 ZINC000004810192 166098299 /nfs/dbraw/zinc/09/82/99/166098299.db2.gz MZJSYLIOMLCYIS-UHFFFAOYSA-N 0 0 237.100 2.694 50 0 in-vivo BFAARN Brc1ccc([C@H]2CCOC2)cc1 ZINC000072193146 166099909 /nfs/dbraw/zinc/09/99/09/166099909.db2.gz JAVFDQBREKPGPG-VIFPVBQESA-N 0 0 227.101 2.953 50 0 BFAARN Brc1cccc(NC2CCC2)n1 ZINC000042750210 166101102 /nfs/dbraw/zinc/10/11/02/166101102.db2.gz HQIRPBQCZQIHKN-UHFFFAOYSA-N 0 0 227.105 2.809 50 0 BFAARN Brc1cccc2c1[C@@H]1C[C@@H]1CN2 ZINC000091692569 166101262 /nfs/dbraw/zinc/10/12/62/166101262.db2.gz OOPYDFSMULRLQF-RNFRBKRXSA-N 0 0 224.101 2.978 50 0 BFAARN Brc1cccc2c1CCCN2 ZINC000008699723 166101844 /nfs/dbraw/zinc/10/18/44/166101844.db2.gz WTZQIKXLRRDMCP-UHFFFAOYSA-N 0 0 212.090 2.807 50 0 BFAARN Brc1ccccc1-n1ccnc1 ZINC000079390172 166102426 /nfs/dbraw/zinc/10/24/26/166102426.db2.gz HFPBSOYHRXOAMW-UHFFFAOYSA-N 0 0 223.073 2.635 50 0 BFAARN CCN(CC)C(=O)/C=C/c1ccccc1 ZINC000000332018 169743861 /nfs/dbraw/zinc/74/38/61/169743861.db2.gz GUYVMSJRMMFSQO-ZHACJKMWSA-N 0 0 203.285 2.568 50 0 BFAARN CCN(CC)C(=O)c1ccncc1C(F)(F)F ZINC000170614565 410520818 /nfs/dbraw/zinc/52/08/18/410520818.db2.gz XJYBVDKJDQJJDC-UHFFFAOYSA-N 0 0 246.232 2.582 50 0 BFAARN C/C(=C/C(=O)Nc1ccccc1C)N1CCCC1 ZINC000025725289 166232129 /nfs/dbraw/zinc/23/21/29/166232129.db2.gz WSKXWVYETGQVQQ-QBFSEMIESA-N 0 0 244.338 2.933 50 0 BFAARN CC(=O)c1cc(C(=O)OCCC2CCC2)n(C)c1 ZINC000096501698 166441699 /nfs/dbraw/zinc/44/16/99/166441699.db2.gz SBJSFJJMNWULCS-UHFFFAOYSA-N 0 0 249.310 2.575 50 0 BFAARN CC(=O)c1cc(F)cc(Br)c1 ZINC000034135852 166445162 /nfs/dbraw/zinc/44/51/62/166445162.db2.gz MZDXPUDHZBCYGS-UHFFFAOYSA-N 0 0 217.037 2.791 50 0 BFAARN CC(=O)c1cccc(OC(F)(F)F)c1F ZINC000091252007 166479146 /nfs/dbraw/zinc/47/91/46/166479146.db2.gz QFZPOCFJEAIXKA-UHFFFAOYSA-N 0 0 222.137 2.927 50 0 BFAARN CC(=O)c1cscc1Br ZINC000034588028 166488117 /nfs/dbraw/zinc/48/81/17/166488117.db2.gz YWDRRISTDUJCKF-UHFFFAOYSA-N 0 0 205.076 2.713 50 0 BFAARN CC(C)(C)CC(=O)NCc1ccc(F)cc1 ZINC000000311268 166549354 /nfs/dbraw/zinc/54/93/54/166549354.db2.gz YYONDZPKHGEGSY-UHFFFAOYSA-N 0 0 223.291 2.878 50 0 BFAARN CC(C)(C)CN/C=C1/c2ccccc2NC1=O ZINC000003877189 166577357 /nfs/dbraw/zinc/57/73/57/166577357.db2.gz PYSZQFWQPIEQPM-FLIBITNWSA-N 0 0 230.311 2.615 50 0 BFAARN CC(C)(C)OC(=O)c1ccc(N)cc1Cl ZINC000042289845 166675398 /nfs/dbraw/zinc/67/53/98/166675398.db2.gz LLOXEUOQRNPJJK-UHFFFAOYSA-N 0 0 227.691 2.878 50 0 BFAARN CC(C)CCC(=O)NCCc1ccccc1 ZINC000041778529 166794616 /nfs/dbraw/zinc/79/46/16/166794616.db2.gz KPRFXTCNZDJPJV-UHFFFAOYSA-N 0 0 219.328 2.782 50 0 BFAARN CC(C)CCC(CO)(CO)CCC(C)C ZINC000002509720 166797256 /nfs/dbraw/zinc/79/72/56/166797256.db2.gz CRJRLBBFSRNKLY-UHFFFAOYSA-N 0 0 216.365 2.830 50 0 BFAARN CC(C)CCNC(=O)c1cccc(F)c1 ZINC000000363476 166856237 /nfs/dbraw/zinc/85/62/37/166856237.db2.gz AHTZYGTWBKAYDF-UHFFFAOYSA-N 0 0 209.264 2.602 50 0 BFAARN CC(C)CCNC(=O)c1cccc2c1ccn2C ZINC000036369988 166856299 /nfs/dbraw/zinc/85/62/99/166856299.db2.gz RNQKJMSZLYIHDQ-UHFFFAOYSA-N 0 0 244.338 2.954 50 0 biogenic BFAARN CC(C)CCO[C@@H](C)C(=O)N1CCC[C@H](C)C1 ZINC000121856421 166879772 /nfs/dbraw/zinc/87/97/72/166879772.db2.gz QRGJPVQBQIJIBQ-STQMWFEESA-N 0 0 241.375 2.696 50 0 BFAARN CC(C)NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000028261782 167037209 /nfs/dbraw/zinc/03/72/09/167037209.db2.gz ROOBBESZXDALMH-UHFFFAOYSA-N 0 0 237.730 2.896 50 0 BFAARN CC(C)NC(=O)Nc1ccc(Cl)cc1 ZINC000000392866 167077550 /nfs/dbraw/zinc/07/75/50/167077550.db2.gz FROBZIOHWNEGPN-UHFFFAOYSA-N 0 0 212.680 2.870 50 0 BFAARN CC(C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000012382575 167084054 /nfs/dbraw/zinc/08/40/54/167084054.db2.gz AFDCWGYQGKAXDH-VIFPVBQESA-N 0 0 241.718 2.632 50 0 BFAARN CC(C)OC(=O)c1cncc2ccccc21 ZINC000097084187 167175046 /nfs/dbraw/zinc/17/50/46/167175046.db2.gz FPCFLVZMCNNLKO-UHFFFAOYSA-N 0 0 215.252 2.800 50 0 BFAARN CC(C)OC1CCC(Nc2ncccn2)CC1 ZINC000096483645 167178688 /nfs/dbraw/zinc/17/86/88/167178688.db2.gz JUNGMRGOOPWLEZ-UHFFFAOYSA-N 0 0 235.331 2.625 50 0 BFAARN CC(C)Oc1c(Cl)ccc(O)c1F ZINC000261493412 167284257 /nfs/dbraw/zinc/28/42/57/167284257.db2.gz AOJCSZRHWRIAEN-UHFFFAOYSA-N 0 0 204.628 2.972 50 0 BFAARN CC(C)Oc1ccc(C2CC(=O)CC(=O)C2)cc1 ZINC000020375166 167292501 /nfs/dbraw/zinc/29/25/01/167292501.db2.gz KRSIOMKVWPQPSX-UHFFFAOYSA-N 0 0 246.306 2.880 50 0 BFAARN CC(C)Oc1ccncc1Br ZINC000095495953 167312260 /nfs/dbraw/zinc/31/22/60/167312260.db2.gz ORZBSKUGXMIXQZ-UHFFFAOYSA-N 0 0 216.078 2.631 50 0 BFAARN CC(C)Sc1cccc(-c2nnc(N)o2)c1 ZINC000026423878 167338735 /nfs/dbraw/zinc/33/87/35/167338735.db2.gz HLHLBOHEPODZQC-UHFFFAOYSA-N 0 0 235.312 2.819 50 0 BFAARN CC(C)[C@@H](C(=O)NCc1ccco1)n1cccc1 ZINC000012137316 167345848 /nfs/dbraw/zinc/34/58/48/167345848.db2.gz CFYUXIPCYMGMMA-ZDUSSCGKSA-N 0 0 246.310 2.595 50 0 BFAARN CC(C)[C@@H](C)NC(=O)NC1CCCCC1 ZINC000000388949 167374442 /nfs/dbraw/zinc/37/44/42/167374442.db2.gz XWSLHQWUWZWPIP-SNVBAGLBSA-N 0 0 212.337 2.663 50 0 BFAARN CC(C)[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000022242077 167378593 /nfs/dbraw/zinc/37/85/93/167378593.db2.gz BAGQRSWIZIKLDN-MFKMUULPSA-N 0 0 249.379 2.864 50 0 BFAARN CC(C)c1cc(C(=O)NC2CCCCCC2)[nH]n1 ZINC000044833860 167562638 /nfs/dbraw/zinc/56/26/38/167562638.db2.gz GSHILJYCXGLKAD-UHFFFAOYSA-N 0 0 249.358 2.986 50 0 BFAARN Cc1ncsc1C(=O)N(C)c1ccccc1 ZINC000046763200 411016650 /nfs/dbraw/zinc/01/66/50/411016650.db2.gz IYTXFFAPZUBBPE-UHFFFAOYSA-N 0 0 232.308 2.728 50 0 BFAARN CC(C)c1cccc(NC(=O)N2CCOCC2)c1 ZINC000027334925 167633467 /nfs/dbraw/zinc/63/34/67/167633467.db2.gz MRBAKHZKKVKFQX-UHFFFAOYSA-N 0 0 248.326 2.674 50 0 BFAARN CCn1cc(NC(=O)Nc2cccc(C)c2)cn1 ZINC000048350699 411190392 /nfs/dbraw/zinc/19/03/92/411190392.db2.gz OKWLKMBFPPLREW-UHFFFAOYSA-N 0 0 244.298 2.855 50 0 BFAARN CC(C)n1nc(-c2ccccc2)cc1N ZINC000040926691 167784084 /nfs/dbraw/zinc/78/40/84/167784084.db2.gz BCLGGAULDBHZDU-UHFFFAOYSA-N 0 0 201.273 2.713 50 0 BFAARN CCSc1ccc(NC(=O)C2CCC2)cn1 ZINC000049478010 411237591 /nfs/dbraw/zinc/23/75/91/411237591.db2.gz CZHMRMUNKVJAIG-UHFFFAOYSA-N 0 0 236.340 2.932 50 0 BFAARN c1ccc2nc(NCC[C@@H]3CCCO3)cnc2c1 ZINC000047873305 411167254 /nfs/dbraw/zinc/16/72/54/411167254.db2.gz QQDUYKOMVSWWRI-NSHDSACASA-N 0 0 243.310 2.611 50 0 BFAARN Cc1cc(C(=O)N(C2CC2)C2CCCC2)on1 ZINC000058723372 411258949 /nfs/dbraw/zinc/25/89/49/411258949.db2.gz NBCWZFSAIUCUDH-UHFFFAOYSA-N 0 0 234.299 2.530 50 0 BFAARN CC1=C(c2ccccc2)C(=O)NC(C)(C)C1 ZINC000000550535 168087551 /nfs/dbraw/zinc/08/75/51/168087551.db2.gz FAFQJTXVNJJWEJ-UHFFFAOYSA-N 0 0 215.296 2.759 50 0 BFAARN CC1=C(Cl)C=C[C@@H](C(C)(C)C)C(=O)N1 ZINC000045028133 168088834 /nfs/dbraw/zinc/08/88/34/168088834.db2.gz AYJRZQOAXIUEHV-MRVPVSSYSA-N 0 0 213.708 2.805 50 0 BFAARN CC1=CC[C@@H](S(=O)(=O)c2ccccc2)CC1 ZINC000039247179 168118781 /nfs/dbraw/zinc/11/87/81/168118781.db2.gz RXNYIRYFWXQRBR-CYBMUJFWSA-N 0 0 236.336 2.959 50 0 BFAARN CC1=CC[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 ZINC000100589642 168119014 /nfs/dbraw/zinc/11/90/14/168119014.db2.gz LLSPPAAEVAOBTN-STQMWFEESA-N 0 0 247.338 2.660 50 0 BFAARN CC1=CC[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 ZINC000100395114 168121956 /nfs/dbraw/zinc/12/19/56/168121956.db2.gz ASZMUCNZOBZRBK-CHWSQXEVSA-N 0 0 241.290 2.532 50 0 BFAARN CC1=NC(=S)N[C@H](c2ccccc2)C1 ZINC000000324742 168125133 /nfs/dbraw/zinc/12/51/33/168125133.db2.gz KHCZLACEZABOFR-JTQLQIEISA-N 0 0 204.298 2.521 50 0 BFAARN CC1=C[C@H](C(=O)Nc2ccccc2)CCO1 ZINC000006272894 168125998 /nfs/dbraw/zinc/12/59/98/168125998.db2.gz RVUAOAREEJAWAM-LLVKDONJSA-N 0 0 217.268 2.565 50 0 BFAARN CC1=N/C(=C/c2ccc(C)c(C)c2)C(=O)O1 ZINC000000128293 168133034 /nfs/dbraw/zinc/13/30/34/168133034.db2.gz ZAJZIYJBZNYOAS-KPKJPENVSA-N 0 0 215.252 2.620 50 0 BFAARN Cc1cc2c(cc1C)NC(=O)CC(C)=N2 ZINC000100244569 168138275 /nfs/dbraw/zinc/13/82/75/168138275.db2.gz IDDCWQJUWJCXKM-UHFFFAOYSA-N 0 0 202.257 2.738 50 0 BFAARN CC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000005915794 168173978 /nfs/dbraw/zinc/17/39/78/168173978.db2.gz BOSHLBWKQSSSGD-UHFFFAOYSA-N 0 0 224.348 2.761 50 0 BFAARN CC1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000032819398 168174530 /nfs/dbraw/zinc/17/45/30/168174530.db2.gz SJQHXZWTTZSVSD-GFCCVEGCSA-N 0 0 207.317 2.601 50 0 BFAARN CC1CCN(C(=O)c2cccs2)CC1 ZINC000000029171 168176208 /nfs/dbraw/zinc/17/62/08/168176208.db2.gz OXFWLBDOZCXXAU-UHFFFAOYSA-N 0 0 209.314 2.620 50 0 BFAARN CCC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000041285186 168198515 /nfs/dbraw/zinc/19/85/15/168198515.db2.gz IGSFTWJIBCDRRD-UHFFFAOYSA-N 0 0 241.331 2.613 50 0 BFAARN CCC(=O)N1CCC(c2ccccc2)CC1 ZINC000043091798 168214924 /nfs/dbraw/zinc/21/49/24/168214924.db2.gz PBRHLAOPIDWVSK-UHFFFAOYSA-N 0 0 217.312 2.803 50 0 BFAARN CCC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000058247989 168235537 /nfs/dbraw/zinc/23/55/37/168235537.db2.gz RDLDCXRUHLGFAD-CQSZACIVSA-N 0 0 235.327 2.919 50 0 BFAARN CCC(=O)N[C@@H](CC)c1ccc(C)cc1 ZINC000006698447 168235911 /nfs/dbraw/zinc/23/59/11/168235911.db2.gz AVCINTRUNIKJCU-LBPRGKRZSA-N 0 0 205.301 2.972 50 0 BFAARN CCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000055274559 168237386 /nfs/dbraw/zinc/23/73/86/168237386.db2.gz FISZKMZDSPXLAU-HTQZYQBOSA-N 0 0 223.238 2.634 50 0 BFAARN CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000044443076 168238022 /nfs/dbraw/zinc/23/80/22/168238022.db2.gz LGJZXTSRRXADSU-GFCCVEGCSA-N 0 0 203.285 2.590 50 0 BFAARN CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000044443077 168241643 /nfs/dbraw/zinc/24/16/43/168241643.db2.gz LGJZXTSRRXADSU-LBPRGKRZSA-N 0 0 203.285 2.590 50 0 BFAARN CCC(=O)Nc1cc(NC(=O)C2CC2)ccc1C ZINC000036567072 168242617 /nfs/dbraw/zinc/24/26/17/168242617.db2.gz POCDFXLIFHQYKW-UHFFFAOYSA-N 0 0 246.310 2.692 50 0 BFAARN CCC(=O)Nc1cc(C)c(OC)c(C)c1 ZINC000000472071 168243478 /nfs/dbraw/zinc/24/34/78/168243478.db2.gz NTWVOSZSOUMUEO-UHFFFAOYSA-N 0 0 207.273 2.661 50 0 BFAARN CCC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000000363203 168243492 /nfs/dbraw/zinc/24/34/92/168243492.db2.gz SWCIDIOQBZZUPT-UHFFFAOYSA-N 0 0 243.690 2.706 50 0 BFAARN CCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000010429496 168244253 /nfs/dbraw/zinc/24/42/53/168244253.db2.gz FTWLMULPFJATSX-UHFFFAOYSA-N 0 0 218.300 2.635 50 0 BFAARN CCC(=O)Nc1ccccc1C(=O)N[C@@H](C)CC ZINC000051528873 168247276 /nfs/dbraw/zinc/24/72/76/168247276.db2.gz KFCPKRDUZBQTPT-JTQLQIEISA-N 0 0 248.326 2.563 50 0 BFAARN CCC(=O)Nc1nc2c(cccc2C)s1 ZINC000000190887 168248535 /nfs/dbraw/zinc/24/85/35/168248535.db2.gz KXUFVSRXJGHXRE-UHFFFAOYSA-N 0 0 220.297 2.953 50 0 BFAARN CCC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000013017200 168249089 /nfs/dbraw/zinc/24/90/89/168249089.db2.gz MMDOQSYMZSFUFC-UHFFFAOYSA-N 0 0 212.318 2.789 50 0 BFAARN CCC(=O)O[C@@H]1C[C@@H]2C[C@H]1[C@H]1CC=C[C@@H]21 ZINC000002131206 168250125 /nfs/dbraw/zinc/25/01/25/168250125.db2.gz BLBJUGKATXCWET-UHFZAUJKSA-N 0 0 206.285 2.540 50 0 biogenic BFAARN CCC(=O)c1ccc(OC)c(C)c1OC ZINC000000393065 168256364 /nfs/dbraw/zinc/25/63/64/168256364.db2.gz AEDLWPLURGCFTR-UHFFFAOYSA-N 0 0 208.257 2.605 50 0 BFAARN CCC(C)(C)C(=O)Nc1ccc(C)cn1 ZINC000019897740 168268715 /nfs/dbraw/zinc/26/87/15/168268715.db2.gz PUTAEMBKCDOUSU-UHFFFAOYSA-N 0 0 206.289 2.765 50 0 BFAARN CCC(C)(C)NC(=O)CCc1ccccc1 ZINC000042137395 168288138 /nfs/dbraw/zinc/28/81/38/168288138.db2.gz JTFFJSGKLQBSHS-UHFFFAOYSA-N 0 0 219.328 2.924 50 0 BFAARN CCC(C)(C)NC(=O)Cc1ccc(OC)cc1 ZINC000032666270 168291810 /nfs/dbraw/zinc/29/18/10/168291810.db2.gz ISTIKCHOBULFGI-UHFFFAOYSA-N 0 0 235.327 2.543 50 0 BFAARN CCC(C)(C)NC(=O)c1ccc(F)cc1 ZINC000004681656 168296936 /nfs/dbraw/zinc/29/69/36/168296936.db2.gz VGFVUJKZIGIQDL-UHFFFAOYSA-N 0 0 209.264 2.744 50 0 BFAARN CCN(Cc1ccoc1)c1ccc(SC)nn1 ZINC000095408821 169926440 /nfs/dbraw/zinc/92/64/40/169926440.db2.gz UBGVIYPJHIUOSH-UHFFFAOYSA-N 0 0 249.339 2.818 50 0 BFAARN CCN(Cc1cn(C)nc1C)c1ccccc1 ZINC000191461089 169927916 /nfs/dbraw/zinc/92/79/16/169927916.db2.gz PUMRVRGYAODTEA-UHFFFAOYSA-N 0 0 229.327 2.755 50 0 BFAARN O=C(c1cc(F)ccc1Cl)N1CC(CF)C1 ZINC000335426625 411482413 /nfs/dbraw/zinc/48/24/13/411482413.db2.gz AMDDGDGYWOQUFZ-UHFFFAOYSA-N 0 0 245.656 2.521 50 0 BFAARN CCn1cc2[nH]c3ccccc3c(C)c-2c1=O ZINC000096026322 170040428 /nfs/dbraw/zinc/04/04/28/170040428.db2.gz YLPILQVEZGKANO-UHFFFAOYSA-N 0 0 226.279 2.519 50 0 BFAARN CCNC(=O)Nc1cccc(Cl)c1C ZINC000004827033 170085008 /nfs/dbraw/zinc/08/50/08/170085008.db2.gz OOFDEVOTRGFLPE-UHFFFAOYSA-N 0 0 212.680 2.790 50 0 BFAARN CCNC(=O)Oc1ccccc1-n1cccc1 ZINC000001397901 170085155 /nfs/dbraw/zinc/08/51/55/170085155.db2.gz QGEKOQRKUWHMDG-UHFFFAOYSA-N 0 0 230.267 2.586 50 0 BFAARN CCNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000044303324 170100972 /nfs/dbraw/zinc/10/09/72/170100972.db2.gz KKXVPRHGOHGZAP-UHFFFAOYSA-N 0 0 222.675 2.571 50 0 BFAARN CCNC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000023111252 170103321 /nfs/dbraw/zinc/10/33/21/170103321.db2.gz AQJMGJNDAGRQMZ-UHFFFAOYSA-N 0 0 242.322 2.796 50 0 BFAARN CCNC(=S)N1CC=C(c2ccccc2)CC1 ZINC000000616660 170105617 /nfs/dbraw/zinc/10/56/17/170105617.db2.gz VIIQEJJUZAZVTB-UHFFFAOYSA-N 0 0 246.379 2.670 50 0 BFAARN CCNC(=S)Nc1ccc(Cl)cc1 ZINC000005734159 170106539 /nfs/dbraw/zinc/10/65/39/170106539.db2.gz HNDPPFMCVAHWCO-UHFFFAOYSA-N 0 0 214.721 2.646 50 0 BFAARN CCNc1nc(Cl)nc2ccccc21 ZINC000011756451 170176943 /nfs/dbraw/zinc/17/69/43/170176943.db2.gz YFIGAAOCPBNSER-UHFFFAOYSA-N 0 0 207.664 2.715 50 0 BFAARN CCNc1ncnc2sc3c(c21)CCC3 ZINC000004552566 170178679 /nfs/dbraw/zinc/17/86/79/170178679.db2.gz XQZUPOJZKZUNJO-UHFFFAOYSA-N 0 0 219.313 2.612 50 0 BFAARN CCOC(=O)C=C(C)Nc1ccc(OCC)cc1 ZINC000013285385 170182289 /nfs/dbraw/zinc/18/22/89/170182289.db2.gz OVTYDRMQDLJXOK-KHPPLWFESA-N 0 0 249.310 2.964 50 0 BFAARN CCOC(=O)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000002387802 170184831 /nfs/dbraw/zinc/18/48/31/170184831.db2.gz NWUGRKGSCYOUFF-UHFFFAOYSA-N 0 0 247.077 2.739 50 0 BFAARN CCOC(=O)C(=O)c1ccc(CC(C)C)cc1 ZINC000039250267 170184838 /nfs/dbraw/zinc/18/48/38/170184838.db2.gz RGTQFTQRZLENJN-UHFFFAOYSA-N 0 0 234.295 2.631 50 0 BFAARN CCOC(=O)C1(CC2CC2)SCCCS1 ZINC000113147371 170189641 /nfs/dbraw/zinc/18/96/41/170189641.db2.gz RDUGFSAQGVRWPZ-UHFFFAOYSA-N 0 0 246.397 2.916 50 0 BFAARN CCOC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000001388129 170192022 /nfs/dbraw/zinc/19/20/22/170192022.db2.gz GROZIKGJLUCJFB-UHFFFAOYSA-N 0 0 238.670 2.679 50 0 BFAARN CCOC(=O)CC(=O)Nc1c(C)cc(C)cc1C ZINC000001230900 170197385 /nfs/dbraw/zinc/19/73/85/170197385.db2.gz RQZPGTGVQHWJTB-UHFFFAOYSA-N 0 0 249.310 2.504 50 0 BFAARN CCOC(=O)CCC(=O)c1ccc(C)cc1 ZINC000001687875 170199007 /nfs/dbraw/zinc/19/90/07/170199007.db2.gz LFHSFGIXTQENJM-UHFFFAOYSA-N 0 0 220.268 2.521 50 0 BFAARN CCOC(=O)CCSc1ccc(F)cc1 ZINC000000165622 170210710 /nfs/dbraw/zinc/21/07/10/170210710.db2.gz XGFIIINCFMUSEH-UHFFFAOYSA-N 0 0 228.288 2.871 50 0 BFAARN CCOC(=O)CCSc1ccccc1 ZINC000001559665 170210978 /nfs/dbraw/zinc/21/09/78/170210978.db2.gz PEPOQQRRKLMLJV-UHFFFAOYSA-N 0 0 210.298 2.732 50 0 BFAARN CCOC(=O)CN(CC)[C@@H](C)c1ccccc1 ZINC000002472422 170217145 /nfs/dbraw/zinc/21/71/45/170217145.db2.gz KOZZIUOGTQUPMY-LBPRGKRZSA-N 0 0 235.327 2.633 50 0 BFAARN CCOC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000004661839 170228629 /nfs/dbraw/zinc/22/86/29/170228629.db2.gz XKOOVHYJLVRPNR-UHFFFAOYSA-N 0 0 236.311 2.926 50 0 BFAARN CCOC(=O)C[C@@H]1CCc2ccccc21 ZINC000039207192 170231870 /nfs/dbraw/zinc/23/18/70/170231870.db2.gz GYOFMIPAKYRMQS-NSHDSACASA-N 0 0 204.269 2.670 50 0 BFAARN CCOC(=O)Cc1ccc(C2CC2)cc1 ZINC000087493579 170234925 /nfs/dbraw/zinc/23/49/25/170234925.db2.gz AEVGEGQUYRLIED-UHFFFAOYSA-N 0 0 204.269 2.670 50 0 BFAARN CCOC(=O)N(O)c1cccc(Cl)c1 ZINC000000400500 170238828 /nfs/dbraw/zinc/23/88/28/170238828.db2.gz BZQLWRGYQZCYNE-UHFFFAOYSA-N 0 0 215.636 2.692 50 0 BFAARN CCOC(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000006698656 170242754 /nfs/dbraw/zinc/24/27/54/170242754.db2.gz KKLPTNTZNWNSPF-VIFPVBQESA-N 0 0 223.272 2.502 50 0 BFAARN CCOC(=O)N=c1[nH]c2c(s1)C[C@@H](C)CC2 ZINC000012505132 170243639 /nfs/dbraw/zinc/24/36/39/170243639.db2.gz FKKYTDRDMJFUKR-ZETCQYMHSA-N 0 0 240.328 2.836 50 0 BFAARN CCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000000077961 170243843 /nfs/dbraw/zinc/24/38/43/170243843.db2.gz SGBODDRGQKZBFJ-UHFFFAOYSA-N 0 0 247.250 2.670 50 0 biogenic BFAARN CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C)C1 ZINC000042465311 170257351 /nfs/dbraw/zinc/25/73/51/170257351.db2.gz LEPDWDXEVCKHTR-XQQFMLRXSA-N 0 0 239.359 2.593 50 0 BFAARN CCOC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000095347620 170264859 /nfs/dbraw/zinc/26/48/59/170264859.db2.gz UPJAGKHUQZSQSK-LLVKDONJSA-N 0 0 206.285 2.737 50 0 BFAARN CCOC(=O)[C@H](C)Sc1ccc(F)cc1 ZINC000043638299 170269089 /nfs/dbraw/zinc/26/90/89/170269089.db2.gz FNBPXICHXFBRPT-QMMMGPOBSA-N 0 0 228.288 2.869 50 0 BFAARN CCOC(=O)[C@H](CC)Oc1ccc(F)cc1F ZINC000084119802 170272800 /nfs/dbraw/zinc/27/28/00/170272800.db2.gz XMNUBMYMOABVGR-JTQLQIEISA-N 0 0 244.237 2.685 50 0 BFAARN CCOC(=O)[C@H]1Cc2c(ccc3ccccc23)O1 ZINC000000168046 170282930 /nfs/dbraw/zinc/28/29/30/170282930.db2.gz CBMTXLJYTRWJSM-CQSZACIVSA-N 0 0 242.274 2.706 50 0 BFAARN CCOC(=O)c1[nH]c2c(c1C)c(OC)ccc2C ZINC000096345921 170286927 /nfs/dbraw/zinc/28/69/27/170286927.db2.gz JTPONYCLICSPOC-UHFFFAOYSA-N 0 0 247.294 2.970 50 0 BFAARN CCOC(=O)c1c(C)n(O)c2cc(F)ccc21 ZINC000044138138 170288630 /nfs/dbraw/zinc/28/86/30/170288630.db2.gz RXBPRBZNIBWUPY-UHFFFAOYSA-N 0 0 237.230 2.503 50 0 BFAARN CCOC(=O)c1cc(Br)ccc1F ZINC000035189192 170290876 /nfs/dbraw/zinc/29/08/76/170290876.db2.gz WYTDYNDPAJSCTK-UHFFFAOYSA-N 0 0 247.063 2.765 50 0 BFAARN CCOC(=O)c1cc2sccc2c(O)c1 ZINC000034519337 170293067 /nfs/dbraw/zinc/29/30/67/170293067.db2.gz IRKXYMTWJQZIPG-UHFFFAOYSA-N 0 0 222.265 2.784 50 0 BFAARN CCOC(=O)c1cc2ccc(OC)cc2nc1C ZINC000008253055 170293917 /nfs/dbraw/zinc/29/39/17/170293917.db2.gz YKAUGLDGHONGMM-UHFFFAOYSA-N 0 0 245.278 2.729 50 0 BFAARN CCOC(=O)c1cc2ccccc2nc1C ZINC000000036674 170294045 /nfs/dbraw/zinc/29/40/45/170294045.db2.gz DUBPJEDOCJXVKG-UHFFFAOYSA-N 0 0 215.252 2.720 50 0 BFAARN CCOC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000002506068 170294119 /nfs/dbraw/zinc/29/41/19/170294119.db2.gz FSMZLIBWSAMADK-UHFFFAOYSA-N 0 0 223.659 2.998 50 0 BFAARN CCOC(=O)c1ccc(-c2ccccn2)s1 ZINC000044200385 170294514 /nfs/dbraw/zinc/29/45/14/170294514.db2.gz WKAOVXQAMNURHS-UHFFFAOYSA-N 0 0 233.292 2.987 50 0 BFAARN CCOC(=O)c1cc2scc(C)c2[nH]1 ZINC000115643467 170294788 /nfs/dbraw/zinc/29/47/88/170294788.db2.gz IVTSDPODKGCTGY-UHFFFAOYSA-N 0 0 209.270 2.715 50 0 BFAARN CCOC(=O)c1ccc(C(C)(C)C)nc1 ZINC000091692428 170295402 /nfs/dbraw/zinc/29/54/02/170295402.db2.gz KCHGPVFBVQUNQB-UHFFFAOYSA-N 0 0 207.273 2.556 50 0 BFAARN CCOC(=O)c1cccc(C)c1Br ZINC000028278517 170298336 /nfs/dbraw/zinc/29/83/36/170298336.db2.gz JLUNFGZPWZBSLB-UHFFFAOYSA-N 0 0 243.100 2.934 50 0 BFAARN CCOC(=O)c1cccc(C(=O)C(F)(F)F)c1 ZINC000002378548 170298491 /nfs/dbraw/zinc/29/84/91/170298491.db2.gz DIDNWEUOZHFCKH-UHFFFAOYSA-N 0 0 246.184 2.608 50 0 BFAARN CCOC(=O)c1cnc2ccc(F)cc2c1 ZINC000045921524 170302357 /nfs/dbraw/zinc/30/23/57/170302357.db2.gz NWHUAEQBXFNORT-UHFFFAOYSA-N 0 0 219.215 2.551 50 0 BFAARN CCOC(=O)c1ncoc1-c1ccccc1F ZINC000043304269 170309077 /nfs/dbraw/zinc/30/90/77/170309077.db2.gz GPEOZYVVQQBGDO-UHFFFAOYSA-N 0 0 235.214 2.657 50 0 BFAARN CCOC(=O)c1ncoc1-c1ccc(OC)cc1 ZINC000000107949 170309154 /nfs/dbraw/zinc/30/91/54/170309154.db2.gz BVOOGQOLDGZSRE-UHFFFAOYSA-N 0 0 247.250 2.527 50 0 BFAARN CCOC(=O)c1oc(-c2ccccc2)nc1C ZINC000014988999 170309599 /nfs/dbraw/zinc/30/95/99/170309599.db2.gz WDUXWFHGMSDULL-UHFFFAOYSA-N 0 0 231.251 2.827 50 0 BFAARN CCOC(=O)c1oc2ccccc2c1NC(C)=O ZINC000000051712 170310494 /nfs/dbraw/zinc/31/04/94/170310494.db2.gz WGIOSLQHYHWVLS-UHFFFAOYSA-N 0 0 247.250 2.568 50 0 BFAARN CCOC(CN(C)c1ccccc1)OCC ZINC000082486121 170314910 /nfs/dbraw/zinc/31/49/10/170314910.db2.gz MSHBPVQTBOBZJM-UHFFFAOYSA-N 0 0 223.316 2.522 50 0 BFAARN CCOC(Cc1ccccc1)(OCC)OCC ZINC000044589417 170315770 /nfs/dbraw/zinc/31/57/70/170315770.db2.gz VFBUQMFVSOSLNV-UHFFFAOYSA-N 0 0 238.327 2.992 50 0 BFAARN CCOC(OCC)(OCC)c1ccccc1 ZINC000000391829 170316500 /nfs/dbraw/zinc/31/65/00/170316500.db2.gz BQFPCTXLBRVFJL-UHFFFAOYSA-N 0 0 224.300 2.906 50 0 BFAARN CCOCC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000070252452 170347407 /nfs/dbraw/zinc/34/74/07/170347407.db2.gz FAYFSQRHGOJFDQ-SSDOTTSWSA-N 0 0 247.747 2.615 50 0 BFAARN CCOCC(=O)Nc1cc(Cl)ccc1C ZINC000002069470 170348365 /nfs/dbraw/zinc/34/83/65/170348365.db2.gz BWGONZZIFQPQMU-UHFFFAOYSA-N 0 0 227.691 2.623 50 0 BFAARN CCOCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000047218722 170356846 /nfs/dbraw/zinc/35/68/46/170356846.db2.gz LOEOXKMATHSFJF-UHFFFAOYSA-N 0 0 243.347 2.670 50 0 BFAARN CCOCCCC(=O)Nc1ccc2[nH]ccc2c1 ZINC000079043189 170366476 /nfs/dbraw/zinc/36/64/76/170366476.db2.gz ZYLJVQTWYMNYJJ-UHFFFAOYSA-N 0 0 246.310 2.923 50 0 BFAARN CCOCCCOc1cnc(Cl)cc1C ZINC000089986938 170384849 /nfs/dbraw/zinc/38/48/49/170384849.db2.gz HQEGGPOIYABKRE-UHFFFAOYSA-N 0 0 229.707 2.849 50 0 BFAARN CCOCCOC(=O)Nc1ccc(Cl)cc1 ZINC000002161961 170416949 /nfs/dbraw/zinc/41/69/49/170416949.db2.gz ALLQMDLZVQREPF-UHFFFAOYSA-N 0 0 243.690 2.925 50 0 BFAARN CCOCCOc1ccccc1Br ZINC000035085913 170423178 /nfs/dbraw/zinc/42/31/78/170423178.db2.gz HPRHZTWLBRRHCF-UHFFFAOYSA-N 0 0 245.116 2.864 50 0 BFAARN CCOC[C@H](C)Nc1ccc(Cl)nc1C ZINC000193481085 170448864 /nfs/dbraw/zinc/44/88/64/170448864.db2.gz KXCUDYFYIHXIGK-QMMMGPOBSA-N 0 0 228.723 2.880 50 0 BFAARN CCO[C@@H](C)c1nccn1Cc1nc(C)c(C)o1 ZINC000124299134 170476666 /nfs/dbraw/zinc/47/66/66/170476666.db2.gz BNKVMYHFKANOBL-NSHDSACASA-N 0 0 249.314 2.634 50 0 BFAARN CCOc1ccc(-c2csc(=O)[nH]2)cc1 ZINC000034669815 170532228 /nfs/dbraw/zinc/53/22/28/170532228.db2.gz TVGUPWQGBAACQI-UHFFFAOYSA-N 0 0 221.281 2.502 50 0 BFAARN CCOc1ccc(C(C)=O)cc1OCC ZINC000000086210 170539527 /nfs/dbraw/zinc/53/95/27/170539527.db2.gz GYFUKZCPECCHTB-UHFFFAOYSA-N 0 0 208.257 2.687 50 0 BFAARN CCS[C@H]1CCC[C@H]1Nc1nnc(C)s1 ZINC000096482476 170653069 /nfs/dbraw/zinc/65/30/69/170653069.db2.gz OCNXCLLVGFPVPR-BDAKNGLRSA-N 0 0 243.401 2.933 50 0 BFAARN CC[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000005593250 170683799 /nfs/dbraw/zinc/68/37/99/170683799.db2.gz ARVBRUYZYLJRKP-SECBINFHSA-N 0 0 234.299 2.630 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(C)c(O)c1 ZINC000000365432 170683979 /nfs/dbraw/zinc/68/39/79/170683979.db2.gz OPIACSYSYCLXGO-MRVPVSSYSA-N 0 0 207.273 2.685 50 0 BFAARN CC[C@@H](C)CN(C)C(=O)c1ccc2c(c1)OCO2 ZINC000071894193 170697524 /nfs/dbraw/zinc/69/75/24/170697524.db2.gz ZWJZRMRMRWWGKS-SNVBAGLBSA-N 0 0 249.310 2.533 50 0 BFAARN CC[C@@H](C)NC(=O)c1cccc(C)c1C ZINC000012976322 170748638 /nfs/dbraw/zinc/74/86/38/170748638.db2.gz LPPROGVFRVWLSH-SNVBAGLBSA-N 0 0 205.301 2.832 50 0 BFAARN CC[C@@H](C)c1ccc(NC(N)=S)cc1 ZINC000003322185 170804492 /nfs/dbraw/zinc/80/44/92/170804492.db2.gz WTXSUXUHTUONPP-MRVPVSSYSA-N 0 0 208.330 2.856 50 0 BFAARN CC[C@@H](CC(=O)N(C)C)c1ccc(C)cc1 ZINC000155591196 170812161 /nfs/dbraw/zinc/81/21/61/170812161.db2.gz LRTHOBWZFUBNGQ-LBPRGKRZSA-N 0 0 219.328 2.967 50 0 BFAARN CC[C@@H]1C[N@H+](CC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000225453905 171077209 /nfs/dbraw/zinc/07/72/09/171077209.db2.gz HQJYPIKIQDVROW-OCCSQVGLSA-N 0 0 247.338 2.587 50 0 BFAARN CC[C@@H]1CN=C(Nc2cccc(OC)c2)S1 ZINC000003228237 171099693 /nfs/dbraw/zinc/09/96/93/171099693.db2.gz NVQONLPKBDCYGW-LLVKDONJSA-N 0 0 236.340 2.989 50 0 BFAARN CC[C@@]1(C)OC(=O)N(c2ccc(C)cc2)[C@@]1(C)O ZINC000000062824 171209458 /nfs/dbraw/zinc/20/94/58/171209458.db2.gz XMWMXPJLPCRTIY-KGLIPLIRSA-N 0 0 249.310 2.829 50 0 BFAARN CC[C@@]1(C)OC(=O)N(c2ccccc2)[C@]1(C)O ZINC000001055180 171209608 /nfs/dbraw/zinc/20/96/08/171209608.db2.gz HZYGFMWHYMVDFI-CHWSQXEVSA-N 0 0 235.283 2.520 50 0 BFAARN CC[C@H](C)C(=O)NC[C@@H](OC)c1ccccc1 ZINC000042751158 171250821 /nfs/dbraw/zinc/25/08/21/171250821.db2.gz PTKOUHHFMXRAAI-WCQYABFASA-N 0 0 235.327 2.536 50 0 BFAARN CC[C@H](C)C(=O)NCc1ccccc1C ZINC000044895863 171252186 /nfs/dbraw/zinc/25/21/86/171252186.db2.gz QCKDBNOYNGKQFL-JTQLQIEISA-N 0 0 205.301 2.657 50 0 BFAARN CC[C@H](C)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000023082150 171255010 /nfs/dbraw/zinc/25/50/10/171255010.db2.gz GAESAQJWJOQQAE-VIFPVBQESA-N 0 0 237.299 2.688 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000005665484 171255372 /nfs/dbraw/zinc/25/53/72/171255372.db2.gz ZJXLOQISZGLQIY-ZETCQYMHSA-N 0 0 212.680 2.720 50 0 BFAARN CC[C@H](C)C(=O)OCc1cccc2c[nH]nc21 ZINC000071922008 171256158 /nfs/dbraw/zinc/25/61/58/171256158.db2.gz PENYXJUKHXHMQM-VIFPVBQESA-N 0 0 232.283 2.652 50 0 BFAARN CC[C@H](C)C(=O)OCCc1ccccc1 ZINC000014651769 171256609 /nfs/dbraw/zinc/25/66/09/171256609.db2.gz KVKKTLBBYFABAZ-NSHDSACASA-N 0 0 206.285 2.818 50 0 endogenous,in-man BFAARN CC[C@H](C)C(=O)Nc1nc(C)c2c(n1)CCCC2 ZINC000032899108 171256763 /nfs/dbraw/zinc/25/67/63/171256763.db2.gz HTIHYANVEGKYGP-VIFPVBQESA-N 0 0 247.342 2.648 50 0 BFAARN CC[C@H](C)Cn1c2ccccc2nc1CCO ZINC000008786052 171300745 /nfs/dbraw/zinc/30/07/45/171300745.db2.gz OOJUWOLZPKRRCN-NSHDSACASA-N 0 0 232.327 2.617 50 0 BFAARN CC[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1 ZINC000003158855 171321306 /nfs/dbraw/zinc/32/13/06/171321306.db2.gz ZQFKSKGWRUVUNX-HUYFXPKMSA-N 0 0 233.311 2.623 50 0 BFAARN CC[C@H](C)NC(=O)/C=C/c1cccs1 ZINC000003173824 171321333 /nfs/dbraw/zinc/32/13/33/171321333.db2.gz QGOXWQRHIFKHEA-UCUJLANTSA-N 0 0 209.314 2.676 50 0 BFAARN CC[C@H](C)NC(=O)/C=C/c1ccc(C)o1 ZINC000006120823 171321802 /nfs/dbraw/zinc/32/18/02/171321802.db2.gz VTSVKSZNPVSKLN-FLOXNTQESA-N 0 0 207.273 2.516 50 0 BFAARN CC[C@H](C)NC(=O)CCc1ccc(C)cc1 ZINC000010328057 171323605 /nfs/dbraw/zinc/32/36/05/171323605.db2.gz UBLACGKAKTXZCT-LBPRGKRZSA-N 0 0 219.328 2.842 50 0 BFAARN CC[C@H](C)NC(=O)Cc1c(F)cccc1Cl ZINC000012928235 171327269 /nfs/dbraw/zinc/32/72/69/171327269.db2.gz NEKZULCRENTHRJ-QMMMGPOBSA-N 0 0 243.709 2.936 50 0 BFAARN CC[C@H](C)NC(=O)Cc1cccc(Cl)c1 ZINC000067785621 171328490 /nfs/dbraw/zinc/32/84/90/171328490.db2.gz WMBFQCVJRJCEAX-VIFPVBQESA-N 0 0 225.719 2.797 50 0 BFAARN CC[C@H](C)NC(=O)NCc1ccc(C)cc1 ZINC000013746309 171329063 /nfs/dbraw/zinc/32/90/63/171329063.db2.gz WYOUKHKMKZLADU-NSHDSACASA-N 0 0 220.316 2.593 50 0 BFAARN CC[C@H](C)NC(=O)N[C@@H](C)c1ccccc1 ZINC000020572994 171330459 /nfs/dbraw/zinc/33/04/59/171330459.db2.gz IHVHLHIGUVSVPV-QWRGUYRKSA-N 0 0 220.316 2.845 50 0 BFAARN CC[C@H](C)NC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000013746317 171331477 /nfs/dbraw/zinc/33/14/77/171331477.db2.gz OIHVHMDWOSHIFV-VIFPVBQESA-N 0 0 249.314 2.565 50 0 BFAARN CC[C@H](C)NC(=O)c1ccc(F)c(F)c1F ZINC000023119829 171336960 /nfs/dbraw/zinc/33/69/60/171336960.db2.gz YIORLONHPCFDFD-LURJTMIESA-N 0 0 231.217 2.632 50 0 BFAARN CC[C@H](C)[C@H](C)Nc1ccc(C)c(C(N)=O)c1 ZINC000183118589 171391167 /nfs/dbraw/zinc/39/11/67/171391167.db2.gz VILPLOQHVAMABN-ONGXEEELSA-N 0 0 234.343 2.940 50 0 BFAARN CCc1cc(C(=O)N[C@@H](C)c2ccccc2)no1 ZINC000008592831 171754460 /nfs/dbraw/zinc/75/44/60/171754460.db2.gz ZDSSQPIVZOYKNH-JTQLQIEISA-N 0 0 244.294 2.728 50 0 BFAARN CCc1cc(C(=O)Nc2ccncc2)cs1 ZINC000016602845 171755727 /nfs/dbraw/zinc/75/57/27/171755727.db2.gz RQXRPXCFCHZYHC-UHFFFAOYSA-N 0 0 232.308 2.958 50 0 BFAARN CCc1cc(O)ccc1NC(=O)c1cscn1 ZINC000191035819 171770979 /nfs/dbraw/zinc/77/09/79/171770979.db2.gz CMTUVDRZMGMPQJ-UHFFFAOYSA-N 0 0 248.307 2.663 50 0 BFAARN CCc1ccccc1-c1cc(C)nc(N)n1 ZINC000032513807 171869558 /nfs/dbraw/zinc/86/95/58/171869558.db2.gz UKLXSBLUCJUNQS-UHFFFAOYSA-N 0 0 213.284 2.597 50 0 BFAARN CCc1nc(Cl)nc(Cl)c1Cl ZINC000001689139 171994963 /nfs/dbraw/zinc/99/49/63/171994963.db2.gz PAMHFOVFWWAYCK-UHFFFAOYSA-N 0 0 211.479 2.999 50 0 BFAARN CCc1nc(N2CCSCC2)sc1C ZINC000069327786 171997969 /nfs/dbraw/zinc/99/79/69/171997969.db2.gz IVZPTVYXMZIUJP-UHFFFAOYSA-N 0 0 228.386 2.567 50 0 BFAARN CCc1nc([C@H]2CCCN2CC=C(C)C)no1 ZINC000072279336 172006820 /nfs/dbraw/zinc/00/68/20/172006820.db2.gz IELPDQFMEYXAMC-LLVKDONJSA-N 0 0 235.331 2.735 50 0 BFAARN CCc1nc2ccccc2nc1N1CCCC1 ZINC000000116929 172013286 /nfs/dbraw/zinc/01/32/86/172013286.db2.gz XLVGFMMUVAAJSR-UHFFFAOYSA-N 0 0 227.311 2.792 50 0 BFAARN CCc1ncnc(Sc2nc(C)co2)c1F ZINC000225633478 172034155 /nfs/dbraw/zinc/03/41/55/172034155.db2.gz QYTHQZRSWYZRQF-UHFFFAOYSA-N 0 0 239.275 2.626 50 0 BFAARN CCc1nnc(CNc2ccc(F)c(CC)c2)o1 ZINC000253417617 172053454 /nfs/dbraw/zinc/05/34/54/172053454.db2.gz DGRLJBGBYQXGRA-UHFFFAOYSA-N 0 0 249.289 2.946 50 0 BFAARN CCc1nnc(NC(=O)Nc2ccccc2)s1 ZINC000018038099 172058331 /nfs/dbraw/zinc/05/83/31/172058331.db2.gz NTLONFCJXBEVPY-UHFFFAOYSA-N 0 0 248.311 2.745 50 0 BFAARN CCc1nnc(N[C@H](C)c2cccc(OC)c2)o1 ZINC000091650465 172061264 /nfs/dbraw/zinc/06/12/64/172061264.db2.gz IEVUNKLJRGFFAF-SECBINFHSA-N 0 0 247.298 2.814 50 0 BFAARN CCc1oc(C(=O)Nc2ccncc2F)cc1C ZINC000097032099 172110716 /nfs/dbraw/zinc/11/07/16/172110716.db2.gz QXXRVUNLBXPRNN-UHFFFAOYSA-N 0 0 248.257 2.937 50 0 BFAARN CCc1ocnc1-c1nc(C2CCCC2)no1 ZINC000083817723 172119655 /nfs/dbraw/zinc/11/96/55/172119655.db2.gz PBIQDKXRIVQGRR-UHFFFAOYSA-N 0 0 233.271 2.945 50 0 BFAARN CCn1c2ccccc2nc1NC(=O)C1CCC1 ZINC000010651458 172146134 /nfs/dbraw/zinc/14/61/34/172146134.db2.gz GPVCGQLNOYACCN-UHFFFAOYSA-N 0 0 243.310 2.795 50 0 BFAARN CCN1C(=S)N=NC1c1sccc1C ZINC000016970925 172147439 /nfs/dbraw/zinc/14/74/39/172147439.db2.gz VHNFABZJQKPVTF-UHFFFAOYSA-N 0 0 225.342 2.624 50 0 BFAARN CCn1cc(NC(=O)N(C)C)c2ccccc21 ZINC000005265874 172179505 /nfs/dbraw/zinc/17/95/05/172179505.db2.gz JJYQSVILVUABTG-UHFFFAOYSA-N 0 0 231.299 2.755 50 0 BFAARN CCn1cc(NC(=O)C=C(C2CC2)C2CC2)cn1 ZINC000079712267 172179895 /nfs/dbraw/zinc/17/98/95/172179895.db2.gz MZSPQKAUSJOGGH-UHFFFAOYSA-N 0 0 245.326 2.588 50 0 BFAARN CCn1cc(NC(=O)c2cc(C)sc2C)cn1 ZINC000058401483 172184394 /nfs/dbraw/zinc/18/43/94/172184394.db2.gz JRSFZPWLPCVPBE-UHFFFAOYSA-N 0 0 249.339 2.834 50 0 BFAARN CCn1cc(Nc2cnc3ccccc3n2)cn1 ZINC000048400198 172188780 /nfs/dbraw/zinc/18/87/80/172188780.db2.gz ULOCKVIYHBNOOT-UHFFFAOYSA-N 0 0 239.282 2.590 50 0 BFAARN CCn1nc(-c2cc(C)ccc2C)ccc1=O ZINC000005409917 172239407 /nfs/dbraw/zinc/23/94/07/172239407.db2.gz WRDZNSIYBCQTNL-UHFFFAOYSA-N 0 0 228.295 2.547 50 0 BFAARN CCn1nc(C)c(Br)c1Cl ZINC000071773260 172242137 /nfs/dbraw/zinc/24/21/37/172242137.db2.gz NOUZWZAAFWRHJJ-UHFFFAOYSA-N 0 0 223.501 2.627 50 0 BFAARN CCn1nc(C)c(CNc2ccc(F)cn2)c1C ZINC000097045348 172246600 /nfs/dbraw/zinc/24/66/00/172246600.db2.gz HIBRQKZPEUMLKO-UHFFFAOYSA-N 0 0 248.305 2.666 50 0 BFAARN CCn1nccc1-c1nc2c(cccc2F)n1C ZINC000095435528 172255722 /nfs/dbraw/zinc/25/57/22/172255722.db2.gz DXTFUFWBONMPHD-UHFFFAOYSA-N 0 0 244.273 2.596 50 0 BFAARN CN(C(=O)C1CC1)c1nc2ccccc2s1 ZINC000026955328 172298189 /nfs/dbraw/zinc/29/81/89/172298189.db2.gz FUPADVZAZOETGV-UHFFFAOYSA-N 0 0 232.308 2.669 50 0 BFAARN CN(C(=O)Cc1ccc(F)cc1)C1CCCC1 ZINC000053643423 172314643 /nfs/dbraw/zinc/31/46/43/172314643.db2.gz SRUVQFQJQADASU-UHFFFAOYSA-N 0 0 235.302 2.769 50 0 BFAARN CN(C(=O)Cc1cccc(F)c1)C1CCCC1 ZINC000032845239 172315542 /nfs/dbraw/zinc/31/55/42/172315542.db2.gz TZQANHLOFXYJTK-UHFFFAOYSA-N 0 0 235.302 2.769 50 0 BFAARN CN(C(=O)[C@H]1CC=CCC1)C1CCCC1 ZINC000032845553 172332672 /nfs/dbraw/zinc/33/26/72/172332672.db2.gz WLJOSPIAXDOJBY-NSHDSACASA-N 0 0 207.317 2.744 50 0 BFAARN CN(C(=O)c1ccc[nH]1)[C@H]1CCc2ccccc21 ZINC000032905665 172341602 /nfs/dbraw/zinc/34/16/02/172341602.db2.gz OKXGHINOJCIZQN-AWEZNQCLSA-N 0 0 240.306 2.774 50 0 BFAARN CN(C)C(=O)CSc1ccc(Cl)cc1 ZINC000000443790 172374282 /nfs/dbraw/zinc/37/42/82/172374282.db2.gz WLBGIFAQOYDCKT-UHFFFAOYSA-N 0 0 229.732 2.520 50 0 BFAARN CN(C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000002879266 172376576 /nfs/dbraw/zinc/37/65/76/172376576.db2.gz MYGHRPMAQATJGP-UHFFFAOYSA-N 0 0 246.354 2.623 50 0 BFAARN CN(C)C(=O)Oc1ccc2ccccc2c1 ZINC000000367582 172382345 /nfs/dbraw/zinc/38/23/45/172382345.db2.gz HWXRSDPITDEWLJ-UHFFFAOYSA-N 0 0 215.252 2.900 50 0 BFAARN CN(C)C(=O)Oc1noc2cc(Cl)ccc21 ZINC000000075905 172384255 /nfs/dbraw/zinc/38/42/55/172384255.db2.gz IAGSCLYNFVGIIM-UHFFFAOYSA-N 0 0 240.646 2.542 50 0 BFAARN CN(C)C(=O)c1cc2c(s1)CCCCC2 ZINC000012978180 172388690 /nfs/dbraw/zinc/38/86/90/172388690.db2.gz GDRQRDUGLMHANX-UHFFFAOYSA-N 0 0 223.341 2.719 50 0 BFAARN CN(C)C(=O)c1cccc(-c2cccc(N)c2)c1 ZINC000085477253 172390540 /nfs/dbraw/zinc/39/05/40/172390540.db2.gz XMPDKLRIYZARMI-UHFFFAOYSA-N 0 0 240.306 2.638 50 0 BFAARN CN(C)C(=O)c1ccc(OC2CCCC2)cc1 ZINC000047429699 172391179 /nfs/dbraw/zinc/39/11/79/172391179.db2.gz FMYCQLCFNYBIEK-UHFFFAOYSA-N 0 0 233.311 2.710 50 0 BFAARN CN(C)C(=S)Nc1cccc(Cl)c1 ZINC000005599620 172393469 /nfs/dbraw/zinc/39/34/69/172393469.db2.gz FDNJCPRUAFJRTH-UHFFFAOYSA-N 0 0 214.721 2.598 50 0 BFAARN CN(C)C(=S)Cc1ccc(Cl)cc1 ZINC000000101263 172393700 /nfs/dbraw/zinc/39/37/00/172393700.db2.gz YBWXXVZHRLCKFI-UHFFFAOYSA-N 0 0 213.733 2.772 50 0 BFAARN CN(Cc1ccccc1)C(=O)Cc1cccs1 ZINC000005668543 172868930 /nfs/dbraw/zinc/86/89/30/172868930.db2.gz RYXUQNNHNBPHSB-UHFFFAOYSA-N 0 0 245.347 2.949 50 0 BFAARN CN(Cc1cccs1)C(=O)CC(F)(F)F ZINC000065554299 172892573 /nfs/dbraw/zinc/89/25/73/172892573.db2.gz OCXJAZUJQYGASF-UHFFFAOYSA-N 0 0 237.246 2.659 50 0 BFAARN CN1[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000013510067 173205244 /nfs/dbraw/zinc/20/52/44/173205244.db2.gz NNCVFQYJJLNXGD-GIIGEWEBSA-N 0 0 237.302 2.925 50 0 BFAARN CNC(=O)C1(c2cccs2)CCCCC1 ZINC000095399329 173223104 /nfs/dbraw/zinc/22/31/04/173223104.db2.gz CNGBZAPATUMOAC-UHFFFAOYSA-N 0 0 223.341 2.696 50 0 BFAARN CNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000000030244 173229261 /nfs/dbraw/zinc/22/92/61/173229261.db2.gz XLQDWOVPUMSOJX-UHFFFAOYSA-N 0 0 239.274 2.670 50 0 BFAARN CNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000041292080 173281552 /nfs/dbraw/zinc/28/15/52/173281552.db2.gz ZJQXFPZTHVXWAF-MRVPVSSYSA-N 0 0 245.244 2.945 50 0 BFAARN CNC(=O)Nc1ccc2ccccc2c1 ZINC000000398272 173293058 /nfs/dbraw/zinc/29/30/58/173293058.db2.gz GBZFNHQFPMVGTF-UHFFFAOYSA-N 0 0 200.241 2.591 50 0 BFAARN CNC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000071915453 173294312 /nfs/dbraw/zinc/29/43/12/173294312.db2.gz WSSNZDYNJDYHRX-QMMMGPOBSA-N 0 0 245.244 2.630 50 0 BFAARN CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000089385851 173300209 /nfs/dbraw/zinc/30/02/09/173300209.db2.gz SMZXNEOIMHKSIC-ZIAGYGMSSA-N 0 0 225.291 2.689 50 0 BFAARN CNC(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000084580793 173304252 /nfs/dbraw/zinc/30/42/52/173304252.db2.gz DZJZGBTVJJCRCX-SNVBAGLBSA-N 0 0 213.280 2.689 50 0 BFAARN CNC(=O)c1sc(-c2cccc(C)c2)nc1C ZINC000064553143 173314887 /nfs/dbraw/zinc/31/48/87/173314887.db2.gz AOKUJPZCOYOCHX-UHFFFAOYSA-N 0 0 246.335 2.787 50 0 BFAARN CNC(=O)c1sc(SC)c2c1CCC=C2 ZINC000004284551 173315055 /nfs/dbraw/zinc/31/50/55/173315055.db2.gz GJWVQSCZTVQOFG-UHFFFAOYSA-N 0 0 239.365 2.789 50 0 BFAARN CNC(=S)C1C2CC3CC(C2)CC1C3 ZINC000000289778 173316183 /nfs/dbraw/zinc/31/61/83/173316183.db2.gz AYRQCQXSMWMWLM-UHFFFAOYSA-N 0 0 209.358 2.606 50 0 BFAARN CNC(=S)Nc1ccc2ccccc2c1 ZINC000002886671 173316886 /nfs/dbraw/zinc/31/68/86/173316886.db2.gz WYPIJUOJXRNXOG-UHFFFAOYSA-N 0 0 216.309 2.756 50 0 BFAARN CNc1nc(Cl)c(SC)c(NC(C)C)n1 ZINC000001387582 173487503 /nfs/dbraw/zinc/48/75/03/173487503.db2.gz BICSYWBECUXRON-UHFFFAOYSA-N 0 0 246.767 2.714 50 0 BFAARN COC(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000000473605 173659564 /nfs/dbraw/zinc/65/95/64/173659564.db2.gz NHFGAHINNOYDOY-UHFFFAOYSA-N 0 0 234.082 2.849 50 0 BFAARN COC(=O)c1c(N)scc1-c1cccs1 ZINC000000355363 173841060 /nfs/dbraw/zinc/84/10/60/173841060.db2.gz YTPWWVXUJXQDMK-UHFFFAOYSA-N 0 0 239.321 2.845 50 0 BFAARN COC(=O)c1c[nH]cc1-c1ccc(C)cc1 ZINC000039149765 173846545 /nfs/dbraw/zinc/84/65/45/173846545.db2.gz HXBXYFBJILFUBH-UHFFFAOYSA-N 0 0 215.252 2.777 50 0 BFAARN COC(=O)c1cc(Cc2ccccc2)sc1N ZINC000000484190 173857986 /nfs/dbraw/zinc/85/79/86/173857986.db2.gz YKXDEESISYXCCS-UHFFFAOYSA-N 0 0 247.319 2.708 50 0 BFAARN COC(=O)c1cc2cc(Cl)ccc2n1C ZINC000008417157 173862792 /nfs/dbraw/zinc/86/27/92/173862792.db2.gz YPVSROYNLULNDU-UHFFFAOYSA-N 0 0 223.659 2.618 50 0 BFAARN COC(=O)c1cc2cc(F)cc(F)c2s1 ZINC000091696099 173863551 /nfs/dbraw/zinc/86/35/51/173863551.db2.gz HNNKYRXXKVKBDG-UHFFFAOYSA-N 0 0 228.219 2.966 50 0 BFAARN COC(=O)c1cc2ccc(OC(C)C)cc2[nH]1 ZINC000004235020 173864451 /nfs/dbraw/zinc/86/44/51/173864451.db2.gz WNVUZWHANZCUOD-UHFFFAOYSA-N 0 0 233.267 2.742 50 0 BFAARN COC(=O)c1cc2cc[nH]c2cc1Cl ZINC000034415538 173865196 /nfs/dbraw/zinc/86/51/96/173865196.db2.gz IGOUVTSYCXABHI-UHFFFAOYSA-N 0 0 209.632 2.608 50 0 BFAARN COC(=O)c1ccc(-c2cccc(OC)c2)nc1 ZINC000034949806 173866076 /nfs/dbraw/zinc/86/60/76/173866076.db2.gz LAVVWJQUWZBRAF-UHFFFAOYSA-N 0 0 243.262 2.544 50 0 BFAARN COC(=O)c1cccc(-c2cc(F)ccc2C)n1 ZINC000097757385 173893060 /nfs/dbraw/zinc/89/30/60/173893060.db2.gz XPLKVYNBEHYXFO-UHFFFAOYSA-N 0 0 245.253 2.983 50 0 BFAARN COC(=O)c1cccn1-c1ccc(Cl)cc1 ZINC000000110646 173901582 /nfs/dbraw/zinc/90/15/82/173901582.db2.gz BAVIXOYIOHCUKL-UHFFFAOYSA-N 0 0 235.670 2.917 50 0 BFAARN COC(=O)c1csc2cc(C)ccc12 ZINC000040457222 173913490 /nfs/dbraw/zinc/91/34/90/173913490.db2.gz YZALJLQGPRFWEB-UHFFFAOYSA-N 0 0 206.266 2.996 50 0 BFAARN COC(=O)n1ncc(C)c1-c1ccc(C)cc1 ZINC000000387738 173923432 /nfs/dbraw/zinc/92/34/32/173923432.db2.gz LMGVVBMCEDKSHB-UHFFFAOYSA-N 0 0 230.267 2.781 50 0 BFAARN COCC(=O)N1CCC[C@@H]1c1cccc(C)c1C ZINC000098013239 174040918 /nfs/dbraw/zinc/04/09/18/174040918.db2.gz YYWZISZQUCCMCF-CQSZACIVSA-N 0 0 247.338 2.613 50 0 BFAARN COCC(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000097111698 174041270 /nfs/dbraw/zinc/04/12/70/174041270.db2.gz OVKZRXHPDQMQKG-LLVKDONJSA-N 0 0 233.311 2.563 50 0 BFAARN COCC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000029027829 174059085 /nfs/dbraw/zinc/05/90/85/174059085.db2.gz XAKSPSWNUXKFMM-UHFFFAOYSA-N 0 0 249.310 2.593 50 0 BFAARN COCC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000012919040 174059346 /nfs/dbraw/zinc/05/93/46/174059346.db2.gz IBLCSDGCWGJDAQ-UHFFFAOYSA-N 0 0 241.290 2.523 50 0 BFAARN COCCCCNc1cc(F)c(F)cc1F ZINC000096500472 174204567 /nfs/dbraw/zinc/20/45/67/174204567.db2.gz AUNRWOVIZPVTIB-UHFFFAOYSA-N 0 0 233.233 2.942 50 0 BFAARN COCCCNC(=O)c1ccc(C(C)C)cc1 ZINC000002767796 174245362 /nfs/dbraw/zinc/24/53/62/174245362.db2.gz MLUGDFDXKZDJAX-UHFFFAOYSA-N 0 0 235.327 2.576 50 0 BFAARN COCCSCc1cn2c(cccc2C)n1 ZINC000095404311 174376458 /nfs/dbraw/zinc/37/64/58/174376458.db2.gz NMZXKARWJBIMOF-UHFFFAOYSA-N 0 0 236.340 2.522 50 0 BFAARN COCCn1ccnc1-c1cc(C)c(O)c(C)c1 ZINC000067841218 174431392 /nfs/dbraw/zinc/43/13/92/174431392.db2.gz VMYKKUQPGQNYCU-UHFFFAOYSA-N 0 0 246.310 2.519 50 0 BFAARN COC[C@@](O)(c1ccccc1)c1ccc(C)cc1 ZINC000068728497 174522977 /nfs/dbraw/zinc/52/29/77/174522977.db2.gz FMJQSHVBMYEJNP-MRXNPFEDSA-N 0 0 242.318 2.877 50 0 BFAARN CON(C)C(=O)/C=C/[C@H](C)CCC=C(C)C ZINC000095218144 174654633 /nfs/dbraw/zinc/65/46/33/174654633.db2.gz NDIWFAPLPTUGNF-BZYZDCJZSA-N 0 0 225.332 2.945 50 0 BFAARN COc1cc(Cl)c(C=O)cc1Cl ZINC000071509221 174989041 /nfs/dbraw/zinc/98/90/41/174989041.db2.gz JUFGYSCJWDURGZ-UHFFFAOYSA-N 0 0 205.040 2.815 50 0 BFAARN COc1cc(C)c(-c2ccnc(CO)c2)c(C)c1 ZINC000032516098 174953406 /nfs/dbraw/zinc/95/34/06/174953406.db2.gz RHZZBAURDKTCEB-UHFFFAOYSA-N 0 0 243.306 2.866 50 0 BFAARN COc1cc(C)c(C=O)cc1Br ZINC000098063782 174956614 /nfs/dbraw/zinc/95/66/14/174956614.db2.gz CVWXXVBSCRRCFA-UHFFFAOYSA-N 0 0 229.073 2.579 50 0 BFAARN COc1cc(C=O)c(Cl)cc1OC(C)C ZINC000000466200 174976007 /nfs/dbraw/zinc/97/60/07/174976007.db2.gz ORZOULWZVFPKPE-UHFFFAOYSA-N 0 0 228.675 2.948 50 0 BFAARN COc1cc(F)ccc1NC(=O)C1CCC1 ZINC000025309825 174994046 /nfs/dbraw/zinc/99/40/46/174994046.db2.gz PJHMYIXOMVSGPH-UHFFFAOYSA-N 0 0 223.247 2.573 50 0 BFAARN COc1cc(OCC2CC2)cc(OC)c1OC ZINC000096009644 175012206 /nfs/dbraw/zinc/01/22/06/175012206.db2.gz VTXMQIUNRDOIOD-UHFFFAOYSA-N 0 0 238.283 2.501 50 0 BFAARN COc1ccc(Br)c2c1CCC2=O ZINC000032264360 175050904 /nfs/dbraw/zinc/05/09/04/175050904.db2.gz XSQABQQBQNMZDZ-UHFFFAOYSA-N 0 0 241.084 2.587 50 0 BFAARN COc1cc2sc(N)nc2cc1Cl ZINC000000543569 175028829 /nfs/dbraw/zinc/02/88/29/175028829.db2.gz WSLXLABOEWJWJL-UHFFFAOYSA-N 0 0 214.677 2.541 50 0 BFAARN COc1ccc(-c2c[nH]c(=S)n2C)cc1 ZINC000026424337 175029626 /nfs/dbraw/zinc/02/96/26/175029626.db2.gz ISJSMIGFALWQBH-UHFFFAOYSA-N 0 0 220.297 2.758 50 0 BFAARN COc1ccc(-c2c[nH]c3ccc(C)cc32)nn1 ZINC000071278726 175029745 /nfs/dbraw/zinc/02/97/45/175029745.db2.gz VPQVMUJLNIRHGU-UHFFFAOYSA-N 0 0 239.278 2.942 50 0 BFAARN COc1ccc(-c2cc(F)c(F)c(F)c2)nn1 ZINC000096136349 175031257 /nfs/dbraw/zinc/03/12/57/175031257.db2.gz AOQQWNDRDZRIQL-UHFFFAOYSA-N 0 0 240.184 2.570 50 0 BFAARN COc1ccc(-c2ccc(Cl)nn2)cc1 ZINC000013564069 175033387 /nfs/dbraw/zinc/03/33/87/175033387.db2.gz TZBSFHQGJIBFLX-UHFFFAOYSA-N 0 0 220.659 2.806 50 0 in-vitro BFAARN COc1ccc(-c2ccnc(C=O)c2)cc1 ZINC000067801434 175034822 /nfs/dbraw/zinc/03/48/22/175034822.db2.gz DTYYIWDGSFNFHW-UHFFFAOYSA-N 0 0 213.236 2.570 50 0 BFAARN COc1ccc(-c2cccnc2)cc1C=O ZINC000020440254 175035193 /nfs/dbraw/zinc/03/51/93/175035193.db2.gz HMZWDPWMRPUPLY-UHFFFAOYSA-N 0 0 213.236 2.570 50 0 BFAARN COc1ccc(-c2ccnc(N)c2)c(C)c1 ZINC000065418697 175035841 /nfs/dbraw/zinc/03/58/41/175035841.db2.gz YONSIQCNBLUSRX-UHFFFAOYSA-N 0 0 214.268 2.648 50 0 BFAARN COc1ccc(-c2ncc(C=O)s2)cc1OC ZINC000004204436 175040635 /nfs/dbraw/zinc/04/06/35/175040635.db2.gz PVFZZVFDLGBCDQ-UHFFFAOYSA-N 0 0 249.291 2.640 50 0 BFAARN COc1ccc(-c2ncccc2O)cc1C ZINC000065339158 175040735 /nfs/dbraw/zinc/04/07/35/175040735.db2.gz LPMZILAFROJDBG-UHFFFAOYSA-N 0 0 215.252 2.771 50 0 BFAARN COc1ccc(-c2nc3ccccn3c2N)cc1 ZINC000001432771 175040861 /nfs/dbraw/zinc/04/08/61/175040861.db2.gz ITUOXVCQWLKCGP-UHFFFAOYSA-N 0 0 239.278 2.592 50 0 BFAARN COc1ccc(Br)cc1C ZINC000000403409 175051391 /nfs/dbraw/zinc/05/13/91/175051391.db2.gz UDLRGQOHGYWLCS-UHFFFAOYSA-N 0 0 201.063 2.766 50 0 BFAARN COc1ccc(C(=O)C(F)(F)F)c(F)c1F ZINC000075925195 175053080 /nfs/dbraw/zinc/05/30/80/175053080.db2.gz QGCQULMTLOLTNY-UHFFFAOYSA-N 0 0 240.127 2.718 50 0 BFAARN COc1ccc(C(=O)Nc2ccc(C)cn2)cc1 ZINC000000030279 175063836 /nfs/dbraw/zinc/06/38/36/175063836.db2.gz WJKNHVIDFXKZCT-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)cc1 ZINC000006843317 175064109 /nfs/dbraw/zinc/06/41/09/175064109.db2.gz ATEMUGFCSNIPOK-OSMZGAPFSA-N 0 0 245.322 2.614 50 0 BFAARN COc1ccc(C(C)=O)c(Br)c1 ZINC000004245143 175067700 /nfs/dbraw/zinc/06/77/00/175067700.db2.gz YCISNMVJZZPXBG-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN COc1ccc(C(N)=O)cc1-c1sccc1C ZINC000096151826 175070231 /nfs/dbraw/zinc/07/02/31/175070231.db2.gz ZGLNTDRJKCKOTC-UHFFFAOYSA-N 0 0 247.319 2.831 50 0 BFAARN COc1ccc(C)cc1[C@@H](C)NC(=O)C1CCC1 ZINC000008128275 175079017 /nfs/dbraw/zinc/07/90/17/175079017.db2.gz DXTVUMHEYSXUAH-LLVKDONJSA-N 0 0 247.338 2.981 50 0 BFAARN COc1ccc(CCC(=O)NC(C)(C)C)cc1 ZINC000000405548 175088591 /nfs/dbraw/zinc/08/85/91/175088591.db2.gz HEJCOBKUVCSTJJ-UHFFFAOYSA-N 0 0 235.327 2.543 50 0 BFAARN COc1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 ZINC000007969444 175104884 /nfs/dbraw/zinc/10/48/84/175104884.db2.gz VXTYLFGZSRXHMK-CYBMUJFWSA-N 0 0 245.322 2.668 50 0 BFAARN COc1ccc(NC(=O)CC(C)C)cc1 ZINC000000362366 175141530 /nfs/dbraw/zinc/14/15/30/175141530.db2.gz NUNDMXSKHWFSCT-UHFFFAOYSA-N 0 0 207.273 2.680 50 0 BFAARN COc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000001052023 175147137 /nfs/dbraw/zinc/14/71/37/175147137.db2.gz LTILHNUQAIYQBZ-UHFFFAOYSA-N 0 0 231.251 2.849 50 0 BFAARN COc1ccc(NC(=O)c2ccccc2N)cc1 ZINC000000290998 175147374 /nfs/dbraw/zinc/14/73/74/175147374.db2.gz VOUMPTOODFUGMO-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1ccc(NC(=O)c2c(C)noc2C)cc1 ZINC000000111875 175147714 /nfs/dbraw/zinc/14/77/14/175147714.db2.gz DNWDEGCNKMOQMU-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1ccc(NC(=O)c2sccc2C)cn1 ZINC000012484805 175148266 /nfs/dbraw/zinc/14/82/66/175148266.db2.gz DVJRBENVECQQBY-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 BFAARN COc1ccc(NC(=S)c2ccccn2)cc1 ZINC000000405526 175148836 /nfs/dbraw/zinc/14/88/36/175148836.db2.gz NXGCPYBRGINPQF-UHFFFAOYSA-N 0 0 244.319 2.878 50 0 BFAARN COc1ccc(NCc2ccc[nH]2)cc1 ZINC000000157672 175152229 /nfs/dbraw/zinc/15/22/29/175152229.db2.gz NKLZMNXWRKKVDW-UHFFFAOYSA-N 0 0 202.257 2.635 50 0 BFAARN COc1ccc(N[C@@H]2CCSC2)cc1 ZINC000019964703 175153803 /nfs/dbraw/zinc/15/38/03/175153803.db2.gz OFHXGSLBJLPLFQ-SNVBAGLBSA-N 0 0 209.314 2.613 50 0 BFAARN COc1ccc(OC(=O)c2ccccc2)cc1 ZINC000004826707 175162676 /nfs/dbraw/zinc/16/26/76/175162676.db2.gz PMRMHHUTWZPFIY-UHFFFAOYSA-N 0 0 228.247 2.914 50 0 BFAARN COc1ccc(OC)c2[nH]c(C(F)(F)F)nc21 ZINC000002017555 175169541 /nfs/dbraw/zinc/16/95/41/175169541.db2.gz DVWDQEOXYVYICR-UHFFFAOYSA-N 0 0 246.188 2.599 50 0 BFAARN COc1ccc(OC)c2c(C)cc(C)nc12 ZINC000000051352 175169808 /nfs/dbraw/zinc/16/98/08/175169808.db2.gz YSUKHSPBLNUACE-UHFFFAOYSA-N 0 0 217.268 2.869 50 0 biogenic BFAARN COc1ccc(OC)c2nc3c(cc12)CCC3 ZINC000004073014 175171304 /nfs/dbraw/zinc/17/13/04/175171304.db2.gz YQASFYJBVKSAKX-UHFFFAOYSA-N 0 0 229.279 2.741 50 0 BFAARN COc1ccc([C@@H]2CCCCC2=O)cc1 ZINC000000399526 175182318 /nfs/dbraw/zinc/18/23/18/175182318.db2.gz BEBTXYAQBNBPJY-LBPRGKRZSA-N 0 0 204.269 2.922 50 0 BFAARN COc1ccc([C@@H]2CCCC[C@@H]2O)cc1OC ZINC000001431472 175183127 /nfs/dbraw/zinc/18/31/27/175183127.db2.gz WJLUOTSDBABMCM-RYUDHWBXSA-N 0 0 236.311 2.722 50 0 BFAARN COc1ccc([C@H](C)NC(=O)c2ccco2)cc1 ZINC000004656429 175188626 /nfs/dbraw/zinc/18/86/26/175188626.db2.gz BTISTMQWAMMYFV-JTQLQIEISA-N 0 0 245.278 2.779 50 0 BFAARN COc1ccc([C@H]2CCCCC2=O)cc1 ZINC000000399525 175194456 /nfs/dbraw/zinc/19/44/56/175194456.db2.gz BEBTXYAQBNBPJY-GFCCVEGCSA-N 0 0 204.269 2.922 50 0 BFAARN COc1ccc2[nH]c3c(c2c1)[C@H](O)CCC3 ZINC000083724501 175201798 /nfs/dbraw/zinc/20/17/98/175201798.db2.gz ODMYLJPOSLSMCB-GFCCVEGCSA-N 0 0 217.268 2.546 50 0 BFAARN COc1ccc2[nH]c3c(ncnc3Cl)c2c1 ZINC000005729826 175202419 /nfs/dbraw/zinc/20/24/19/175202419.db2.gz GFJIJJZNYCWNGS-UHFFFAOYSA-N 0 0 233.658 2.773 50 0 BFAARN COc1ccc2c(C)c(C(=O)N3CCC3)oc2c1 ZINC000097679707 175203985 /nfs/dbraw/zinc/20/39/85/175203985.db2.gz TVGXPNHYWCZGCU-UHFFFAOYSA-N 0 0 245.278 2.596 50 0 BFAARN COc1ccc2c(c1)CC[C@]1(C)C2=CC[C@H]1O ZINC000071774148 175210031 /nfs/dbraw/zinc/21/00/31/175210031.db2.gz CVDBQWXONDFFGQ-HUUCEWRRSA-N 0 0 230.307 2.796 50 0 BFAARN COc1ccc2c(c1C/C=C(\C)CO)OCCC2 ZINC000007078870 175220504 /nfs/dbraw/zinc/22/05/04/175220504.db2.gz ZKODFKNZYAMXQR-VZUCSPMQSA-N 0 0 248.322 2.501 50 0 BFAARN COc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002967352 175223503 /nfs/dbraw/zinc/22/35/03/175223503.db2.gz HDNREROUZXDJLN-UHFFFAOYSA-N 0 0 230.263 2.680 50 0 biogenic BFAARN COc1ccc2cc(C=O)c(Cl)nc2c1 ZINC000002578394 175225044 /nfs/dbraw/zinc/22/50/44/175225044.db2.gz WRXZCLBKDXISQA-UHFFFAOYSA-N 0 0 221.643 2.709 50 0 BFAARN COc1ccc2cccc(NC(C)=O)c2c1 ZINC000085210666 175225968 /nfs/dbraw/zinc/22/59/68/175225968.db2.gz ROIBKRTYRRRTPJ-UHFFFAOYSA-N 0 0 215.252 2.807 50 0 BFAARN COc1ccc2nc(C)c3c(c2c1)O[C@@H](C)C3 ZINC000000053283 175227759 /nfs/dbraw/zinc/22/77/59/175227759.db2.gz IGBLKXMOCQGDCA-QMMMGPOBSA-N 0 0 229.279 2.875 50 0 biogenic BFAARN COc1ccc2nc(C)sc2c1NC(C)=O ZINC000000053299 175227819 /nfs/dbraw/zinc/22/78/19/175227819.db2.gz VERZCVFSSKZWDJ-UHFFFAOYSA-N 0 0 236.296 2.572 50 0 BFAARN COc1ccc2ncc(-c3cc[nH]n3)cc2c1 ZINC000065399032 175229956 /nfs/dbraw/zinc/22/99/56/175229956.db2.gz UCGIJQDSZUKPLD-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN COc1cccc(-c2ccnc(Cl)n2)c1 ZINC000015021342 175235667 /nfs/dbraw/zinc/23/56/67/175235667.db2.gz QGUFGKFTAPDKHO-UHFFFAOYSA-N 0 0 220.659 2.806 50 0 BFAARN COc1cccc(-n2cnc3cccc(N)c32)c1 ZINC000000432204 175239677 /nfs/dbraw/zinc/23/96/77/175239677.db2.gz RZZYCJIURCZZFA-UHFFFAOYSA-N 0 0 239.278 2.616 50 0 BFAARN COc1cccc(/C=C/C(=O)N2CCCCC2)c1 ZINC000016891328 175240693 /nfs/dbraw/zinc/24/06/93/175240693.db2.gz CLCXERMGGJMVMS-CMDGGOBGSA-N 0 0 245.322 2.721 50 0 BFAARN COc1cccc(C(=O)N(C)C2CCCC2)c1 ZINC000022516559 175242619 /nfs/dbraw/zinc/24/26/19/175242619.db2.gz BZSFUYWKOSDIDN-UHFFFAOYSA-N 0 0 233.311 2.710 50 0 BFAARN COc1cccc(C(=O)Nc2ccccc2N)c1 ZINC000000365032 175245969 /nfs/dbraw/zinc/24/59/69/175245969.db2.gz DBJSLKAKEHQXMU-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1cccc(C(=O)Nc2cc(C)ccn2)c1 ZINC000000343014 175246707 /nfs/dbraw/zinc/24/67/07/175246707.db2.gz VTLBZICFRZQTJF-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1cccc(C(=O)c2cc(F)cc(F)c2)n1 ZINC000045028758 175247596 /nfs/dbraw/zinc/24/75/96/175247596.db2.gz VAFXSUWNUBOAIC-UHFFFAOYSA-N 0 0 249.216 2.599 50 0 BFAARN COc1cccc(CNCc2ccco2)c1OC ZINC000000250785 175265771 /nfs/dbraw/zinc/26/57/71/175265771.db2.gz QAJRSBYGWGCFMP-UHFFFAOYSA-N 0 0 247.294 2.587 50 0 BFAARN COc1cccc(Cl)c1CNc1ncccn1 ZINC000170603094 175273103 /nfs/dbraw/zinc/27/31/03/175273103.db2.gz DJGMNHDJHIGCQI-UHFFFAOYSA-N 0 0 249.701 2.751 50 0 BFAARN C=CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000037828585 487630241 /nfs/dbraw/zinc/63/02/41/487630241.db2.gz LKIMCRSPMPIFIY-SECBINFHSA-N 0 0 207.298 2.598 50 0 BFAARN COc1cccc(NC(=O)C[C@@H]2C=CCC2)c1 ZINC000012876832 175276307 /nfs/dbraw/zinc/27/63/07/175276307.db2.gz MPKQRJQCYOCUJN-LLVKDONJSA-N 0 0 231.295 2.990 50 0 BFAARN COc1cccc(NC(=S)NC(C)(C)C)c1 ZINC000000472905 175278571 /nfs/dbraw/zinc/27/85/71/175278571.db2.gz ZRPONRMKHMENHX-UHFFFAOYSA-N 0 0 238.356 2.780 50 0 BFAARN COc1cccc(OC2CN(CC=C(C)C)C2)c1 ZINC000072153923 175282799 /nfs/dbraw/zinc/28/27/99/175282799.db2.gz PPOWZPUOSRGXLS-UHFFFAOYSA-N 0 0 247.338 2.724 50 0 BFAARN COc1cccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)c1 ZINC000005696398 175292396 /nfs/dbraw/zinc/29/23/96/175292396.db2.gz CXLVKRUTZUTCPU-NRUUGDAUSA-N 0 0 233.311 2.528 50 0 BFAARN COc1cccc([C@H](C)NC(=O)c2ccco2)c1 ZINC000006699884 175292665 /nfs/dbraw/zinc/29/26/65/175292665.db2.gz DUUWOVRUWLQKFP-JTQLQIEISA-N 0 0 245.278 2.779 50 0 BFAARN COc1cccc2[nH]c3c(ncnc3Cl)c21 ZINC000005911507 175297549 /nfs/dbraw/zinc/29/75/49/175297549.db2.gz AZGSGDAPZUDANU-UHFFFAOYSA-N 0 0 233.658 2.773 50 0 BFAARN COc1cccc2c(C)cc(-c3cc[nH]n3)nc12 ZINC000067886523 175298719 /nfs/dbraw/zinc/29/87/19/175298719.db2.gz ZFXRZFGOGYWLAX-UHFFFAOYSA-N 0 0 239.278 2.942 50 0 BFAARN COc1cccc2ccc(-c3ncc[nH]3)nc21 ZINC000067770955 175307585 /nfs/dbraw/zinc/30/75/85/175307585.db2.gz LCEJCIWIHSFIEW-UHFFFAOYSA-N 0 0 225.251 2.634 50 0 BFAARN COc1ccccc1-c1ccc(Cl)nn1 ZINC000015021749 175309154 /nfs/dbraw/zinc/30/91/54/175309154.db2.gz ZCKBVNDUEOLHME-UHFFFAOYSA-N 0 0 220.659 2.806 50 0 BFAARN COc1ccccc1/C=C\CNc1ccn(C)n1 ZINC000098052947 175315845 /nfs/dbraw/zinc/31/58/45/175315845.db2.gz BFKCORZPVGXBMQ-ALCCZGGFSA-N 0 0 243.310 2.554 50 0 BFAARN COc1ccccc1C(=O)CN1CCCC[C@@H]1C ZINC000003306959 175316323 /nfs/dbraw/zinc/31/63/23/175316323.db2.gz TXWVZQXYORSYJV-LBPRGKRZSA-N 0 0 247.338 2.752 50 0 BFAARN COc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000005529535 175317404 /nfs/dbraw/zinc/31/74/04/175317404.db2.gz LZFKFZYZMJHVTQ-RYUDHWBXSA-N 0 0 247.338 2.813 50 0 BFAARN COc1ccccc1C(=O)c1ccc(C)cn1 ZINC000045028525 175319647 /nfs/dbraw/zinc/31/96/47/175319647.db2.gz MVGCXZLVBVAMLJ-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1ccccc1CNCc1ccco1 ZINC000000226673 175330639 /nfs/dbraw/zinc/33/06/39/175330639.db2.gz WKNQLAHUYDYUNM-UHFFFAOYSA-N 0 0 217.268 2.578 50 0 BFAARN COc1ccccc1C[C@@H]1CCCC1=O ZINC000041212674 175332382 /nfs/dbraw/zinc/33/23/82/175332382.db2.gz MLAXLJRAOMDRJC-JTQLQIEISA-N 0 0 204.269 2.607 50 0 BFAARN COc1ccccc1NC1=NC[C@H](C)S1 ZINC000001644586 175336533 /nfs/dbraw/zinc/33/65/33/175336533.db2.gz OJTALSOHXZUQRZ-QMMMGPOBSA-N 0 0 222.313 2.598 50 0 BFAARN COc1ccccc1NC1=NC[C@@H](C)S1 ZINC000003076279 175336540 /nfs/dbraw/zinc/33/65/40/175336540.db2.gz OJTALSOHXZUQRZ-MRVPVSSYSA-N 0 0 222.313 2.598 50 0 BFAARN COc1ccccc1NC(=O)c1ccc(N)cc1 ZINC000003184701 175336547 /nfs/dbraw/zinc/33/65/47/175336547.db2.gz DCVSWMVFHSQIJJ-UHFFFAOYSA-N 0 0 242.278 2.530 50 0 BFAARN COc1ccccc1NC(=O)c1ccc(C)o1 ZINC000000060914 175336897 /nfs/dbraw/zinc/33/68/97/175336897.db2.gz IXVRTKFIFXBGQF-UHFFFAOYSA-N 0 0 231.251 2.849 50 0 BFAARN COc1ccccc1OC/C=C/Cn1ccnc1 ZINC000016624006 175340635 /nfs/dbraw/zinc/34/06/35/175340635.db2.gz KHKWNCOFQJUJDT-SNAWJCMRSA-N 0 0 244.294 2.527 50 0 BFAARN COc1cncc(-c2cccc(F)c2)c1 ZINC000047204799 175382594 /nfs/dbraw/zinc/38/25/94/175382594.db2.gz FNYSJUKNVGXKPE-UHFFFAOYSA-N 0 0 203.216 2.896 50 0 BFAARN CSC(=S)N(C=O)c1ccc(C)cc1 ZINC000001447153 175440712 /nfs/dbraw/zinc/44/07/12/175440712.db2.gz FTTSTPFMOHURTK-UHFFFAOYSA-N 0 0 225.338 2.606 50 0 BFAARN CSCCC(=O)Nc1ccc2ccccc2n1 ZINC000032902585 175469240 /nfs/dbraw/zinc/46/92/40/175469240.db2.gz QIHPAIUKEQHKEH-UHFFFAOYSA-N 0 0 246.335 2.926 50 0 BFAARN CS[C@H](C)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000098010572 175555003 /nfs/dbraw/zinc/55/50/03/175555003.db2.gz DIEXCLHTYSOWDB-WYUUTHIRSA-N 0 0 241.400 2.918 50 0 BFAARN CSc1ccccc1C1N=NC(=S)O1 ZINC000015924014 175582130 /nfs/dbraw/zinc/58/21/30/175582130.db2.gz FWDJIBHZKZYFRV-UHFFFAOYSA-N 0 0 224.310 2.747 50 0 BFAARN CSc1nc(Br)cs1 ZINC000015021574 175586822 /nfs/dbraw/zinc/58/68/22/175586822.db2.gz YGCKEBOZMZSIDW-UHFFFAOYSA-N 0 0 210.121 2.628 50 0 BFAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC1 ZINC000000281183 175769778 /nfs/dbraw/zinc/76/97/78/175769778.db2.gz XAGAWVUMMWZXRR-JTQLQIEISA-N 0 0 242.322 2.625 50 0 biogenic BFAARN C[C@@H](Cc1ccc(F)cc1)Nc1ccnn1C ZINC000097037938 175770589 /nfs/dbraw/zinc/77/05/89/175770589.db2.gz IIQLRQAGAYCHRC-JTQLQIEISA-N 0 0 233.290 2.602 50 0 BFAARN C[C@@H](NC(=O)CCC1CCCC1)c1cnn(C)c1 ZINC000027919133 175830190 /nfs/dbraw/zinc/83/01/90/175830190.db2.gz ODDJJBQMXKAPCC-LLVKDONJSA-N 0 0 249.358 2.568 50 0 BFAARN C[C@@H]1CC(C)(C)N2C(=O)C(=O)c3cccc1c32 ZINC000008879432 176052735 /nfs/dbraw/zinc/05/27/35/176052735.db2.gz YKDZCUAXADGLRL-MRVPVSSYSA-N 0 0 229.279 2.502 50 0 biogenic BFAARN C[C@@H]1C=C2Nc3ccccc3N[C@H](C)C2C(=O)O1 ZINC000008684109 176057569 /nfs/dbraw/zinc/05/75/69/176057569.db2.gz MGSVAWXAVKWGOR-RKDXNWHRSA-N 0 0 244.294 2.502 50 0 BFAARN C[C@@H]1CCCCN1C(=O)c1n[nH]c2ccccc21 ZINC000012525509 176069278 /nfs/dbraw/zinc/06/92/78/176069278.db2.gz IYOLHNHNMZPKQW-SNVBAGLBSA-N 0 0 243.310 2.578 50 0 BFAARN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccncc1 ZINC000032787684 176077620 /nfs/dbraw/zinc/07/76/20/176077620.db2.gz AKYARILXZCLJMB-YPMHNXCESA-N 0 0 232.327 2.732 50 0 BFAARN C[C@@H]1CCCC[C@@H]1NC(=O)CC(F)(F)F ZINC000043070920 176079395 /nfs/dbraw/zinc/07/93/95/176079395.db2.gz WHJAJWGWXYOJFY-SFYZADRCSA-N 0 0 223.238 2.634 50 0 BFAARN C[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 ZINC000000449995 176090799 /nfs/dbraw/zinc/09/07/99/176090799.db2.gz NTENAXUBMPWURD-WTNCMQEWSA-N 0 0 229.323 2.958 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000065549023 176094908 /nfs/dbraw/zinc/09/49/08/176094908.db2.gz YTGOPHAGXBSSKO-SNVBAGLBSA-N 0 0 247.342 2.549 50 0 BFAARN C[C@@H]1CCC[C@@H](CC[N@@H+]2CCC[C@H]2C(=O)[O-])C1 ZINC000237580625 176118030 /nfs/dbraw/zinc/11/80/30/176118030.db2.gz OMAFQQGOPKTRBJ-AGIUHOORSA-N 0 0 239.359 2.752 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)/C=C\c2cccnc2)C1 ZINC000229725108 176121127 /nfs/dbraw/zinc/12/11/27/176121127.db2.gz XTTALFPNMRPTQE-GGJXWIKRSA-N 0 0 244.338 2.790 50 0 BFAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000239338675 176217505 /nfs/dbraw/zinc/21/75/05/176217505.db2.gz KXMYNLHMKBLLLU-WXHSDQCUSA-N 0 0 243.306 2.612 50 0 BFAARN C[C@@H]1C[N@H+](CCCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000299753678 176288420 /nfs/dbraw/zinc/28/84/20/176288420.db2.gz YYGVVKJGQUULKB-RISCZKNCSA-N 0 0 233.311 2.544 50 0 BFAARN C[C@@H]1CN(Cc2ccccc2Cl)C[C@@H](C)O1 ZINC000019607241 176307519 /nfs/dbraw/zinc/30/75/19/176307519.db2.gz WIZYVZWLXIGLSO-GHMZBOCLSA-N 0 0 239.746 2.949 50 0 BFAARN C[C@@H]1CN=C(Nc2ccc(F)cc2F)S1 ZINC000000086389 176324568 /nfs/dbraw/zinc/32/45/68/176324568.db2.gz RKBGXRCEDPWMPG-ZCFIWIBFSA-N 0 0 228.267 2.868 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000034858329 176386424 /nfs/dbraw/zinc/38/64/24/176386424.db2.gz BVFWVDWDLGJAFT-SWHYSGLUSA-N 0 0 229.323 2.910 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NCCc1ccccc1Cl ZINC000067084374 176386636 /nfs/dbraw/zinc/38/66/36/176386636.db2.gz UEKGVEDTFXERPX-KOLCDFICSA-N 0 0 237.730 2.655 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000000372126 176386687 /nfs/dbraw/zinc/38/66/87/176386687.db2.gz JLDUFFNPANUXPU-SKDRFNHKSA-N 0 0 237.730 2.655 50 0 BFAARN C[C@@H]1C[C@H](Sc2ncccc2Cl)C(=O)O1 ZINC000040493673 176429687 /nfs/dbraw/zinc/42/96/87/176429687.db2.gz PXAPMOVMHCGKJK-SVRRBLITSA-N 0 0 243.715 2.531 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NC1CCCCCCC1 ZINC000013329321 176432330 /nfs/dbraw/zinc/43/23/30/176432330.db2.gz SEFREKPHHHXHTH-ZYHUDNBSSA-N 0 0 209.333 2.872 50 0 BFAARN C[C@H]1O[C@H]2c3ccccc3C[C@H]2[C@@H](C)O1 ZINC000003995519 176485221 /nfs/dbraw/zinc/48/52/21/176485221.db2.gz SHWFPOIJJLMZKA-PNZRWIHMSA-N 0 0 204.269 2.681 50 0 BFAARN C[C@@H]1SCCN(C(=O)c2ccsc2)[C@H]1C ZINC000098010483 176488427 /nfs/dbraw/zinc/48/84/27/176488427.db2.gz GDJVJNCMOWJSRA-IUCAKERBSA-N 0 0 241.381 2.714 50 0 BFAARN C[C@@](O)(C(=O)c1ccccc1)c1ccccc1 ZINC000000157103 176515674 /nfs/dbraw/zinc/51/56/74/176515674.db2.gz DIVXVZXROTWKIH-HNNXBMFYSA-N 0 0 226.275 2.777 50 0 BFAARN C[C@H](C1CC1)N(C)C(=O)Nc1ccccc1 ZINC000025511702 176591978 /nfs/dbraw/zinc/59/19/78/176591978.db2.gz QQCKYPRPBJMSMT-SNVBAGLBSA-N 0 0 218.300 2.949 50 0 BFAARN C[C@H](CC(=O)NCc1ccccc1)[C@H]1CCCO1 ZINC000000198737 176599964 /nfs/dbraw/zinc/59/99/64/176599964.db2.gz JCBJRIFKIORSDK-TZMCWYRMSA-N 0 0 247.338 2.508 50 0 BFAARN C[C@H](CCc1cccn1C)Nc1ccccn1 ZINC000078423489 176641234 /nfs/dbraw/zinc/64/12/34/176641234.db2.gz PBCJZTIZFGGTTH-GFCCVEGCSA-N 0 0 229.327 2.853 50 0 BFAARN C[C@H](NC(=O)NC1CCCCC1)c1cccnc1 ZINC000013331940 176800109 /nfs/dbraw/zinc/80/01/09/176800109.db2.gz HSEWSFAEFIZFLI-NSHDSACASA-N 0 0 247.342 2.775 50 0 BFAARN C[C@H](NCC(F)(F)F)[C@H]1COc2ccccc21 ZINC000097112627 176835116 /nfs/dbraw/zinc/83/51/16/176835116.db2.gz WLMHYKNGEVSKHK-WCBMZHEXSA-N 0 0 245.244 2.703 50 0 BFAARN C[C@@H](c1nc2ccccc2s1)[C@H](C)O ZINC000063039736 177006085 /nfs/dbraw/zinc/00/60/85/177006085.db2.gz IPIQXWOAAIBYKG-SFYZADRCSA-N 0 0 207.298 2.781 50 0 BFAARN C[C@H](O)c1nc(-c2ccccc2)cs1 ZINC000057218735 177018013 /nfs/dbraw/zinc/01/80/13/177018013.db2.gz PYECMWLNMKANBM-QMMMGPOBSA-N 0 0 205.282 2.863 50 0 BFAARN C[C@H](O)c1ncc(Cl)cc1Br ZINC000091692955 177019228 /nfs/dbraw/zinc/01/92/28/177019228.db2.gz AUVBGIYQOJAROI-BYPYZUCNSA-N 0 0 236.496 2.551 50 0 BFAARN C[C@H](Oc1ccccc1N)C(F)(F)F ZINC000085421140 177024668 /nfs/dbraw/zinc/02/46/68/177024668.db2.gz IAJZFSCHMAQIEK-LURJTMIESA-N 0 0 205.179 2.598 50 0 BFAARN C[C@H](c1ccc(CO)cc1)C(F)(F)F ZINC000299805367 177033037 /nfs/dbraw/zinc/03/30/37/177033037.db2.gz KLTPDDQSEXJDEL-SSDOTTSWSA-N 0 0 204.191 2.845 50 0 BFAARN C[C@H]1CCCCN1C(=O)c1ccnc(Cl)c1 ZINC000019813380 177074024 /nfs/dbraw/zinc/07/40/24/177074024.db2.gz SZJMOBJLNCPSDE-VIFPVBQESA-N 0 0 238.718 2.750 50 0 BFAARN C[C@H]1CCCCN1CC(=O)c1ccccc1F ZINC000003306793 177074874 /nfs/dbraw/zinc/07/48/74/177074874.db2.gz LBWBSVPWFFGJEC-NSHDSACASA-N 0 0 235.302 2.883 50 0 BFAARN C[C@H]1CCCCN1c1ccc(F)cc1N ZINC000019868032 177079129 /nfs/dbraw/zinc/07/91/29/177079129.db2.gz LVYNPHQIJBOKOQ-VIFPVBQESA-N 0 0 208.280 2.787 50 0 BFAARN C[C@H]1CCCC[C@H]1NC(=O)COc1ccccc1 ZINC000000388985 177088237 /nfs/dbraw/zinc/08/82/37/177088237.db2.gz HRMBSUOPIATDGS-GXTWGEPZSA-N 0 0 247.338 2.760 50 0 BFAARN C[C@H]1CCCN(C(=O)CCNc2ccccc2)C1 ZINC000058264921 177091703 /nfs/dbraw/zinc/09/17/03/177091703.db2.gz BFBNZVYCANYACQ-ZDUSSCGKSA-N 0 0 246.354 2.747 50 0 BFAARN C[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000000318932 177092059 /nfs/dbraw/zinc/09/20/59/177092059.db2.gz PQIXNGWJDMFPEA-NSHDSACASA-N 0 0 235.302 2.627 50 0 BFAARN C[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000046869518 177092225 /nfs/dbraw/zinc/09/22/25/177092225.db2.gz FWHGDWXSBJWCQZ-ZDUSSCGKSA-N 0 0 247.338 2.714 50 0 BFAARN C[C@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000029509737 177094316 /nfs/dbraw/zinc/09/43/16/177094316.db2.gz KLOHOOOKGXEDIH-QMMMGPOBSA-N 0 0 226.707 2.540 50 0 BFAARN C[C@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC000040462549 177094479 /nfs/dbraw/zinc/09/44/79/177094479.db2.gz QAMZSXCFQIERHM-QMMMGPOBSA-N 0 0 227.691 2.805 50 0 BFAARN C[C@H]1CCCN([C@H]2OC(=O)c3ccccc32)C1 ZINC000035092908 177104834 /nfs/dbraw/zinc/10/48/34/177104834.db2.gz JYKDZGJVWHHXFP-GWCFXTLKSA-N 0 0 231.295 2.588 50 0 BFAARN C[C@H]1CCC[C@H](C)N1C(=O)NC1CCCC1 ZINC000013328232 177131469 /nfs/dbraw/zinc/13/14/69/177131469.db2.gz YUVDGWCUBSIXBY-QWRGUYRKSA-N 0 0 224.348 2.902 50 0 BFAARN C[C@H]1CCCc2c1nc1ccccc1c2C(N)=O ZINC000006253541 177144438 /nfs/dbraw/zinc/14/44/38/177144438.db2.gz AGETZEYQPDFLQR-VIFPVBQESA-N 0 0 240.306 2.774 50 0 BFAARN C[C@H]1CCO[C@@H](c2coc3ccccc3c2=O)O1 ZINC000000482562 177178578 /nfs/dbraw/zinc/17/85/78/177178578.db2.gz ADXCKCOKWMDXRE-LKFCYVNXSA-N 0 0 246.262 2.617 50 0 BFAARN C[C@H]1CCc2[nH]c3ccccc3c(=O)c2C1 ZINC000000128478 177208450 /nfs/dbraw/zinc/20/84/50/177208450.db2.gz LNNMVJASWLOYHW-VIFPVBQESA-N 0 0 213.280 2.653 50 0 BFAARN C[C@H]1CCc2sc(C(=O)NC3CC3)cc2C1 ZINC000008077197 177210815 /nfs/dbraw/zinc/21/08/15/177210815.db2.gz PWVDVPGEMCFCOQ-QMMMGPOBSA-N 0 0 235.352 2.765 50 0 BFAARN C[C@H]1CN(C(=O)NCC2CC2)[C@@H]1c1ccccc1 ZINC000170004148 177219643 /nfs/dbraw/zinc/21/96/43/177219643.db2.gz IYNCISVLLJACPG-FZMZJTMJSA-N 0 0 244.338 2.799 50 0 BFAARN C[C@H]1COC[C@H](C)N1C(=O)CC1=CCCCC1 ZINC000098012943 177299379 /nfs/dbraw/zinc/29/93/79/177299379.db2.gz FAERIPLOYBJPBX-RYUDHWBXSA-N 0 0 237.343 2.513 50 0 BFAARN C[C@H]1CSC(SCc2ccccn2)=N1 ZINC000089522306 177302635 /nfs/dbraw/zinc/30/26/35/177302635.db2.gz SUVBIVUDUBPQJP-QMMMGPOBSA-N 0 0 224.354 2.806 50 0 BFAARN C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCC2CC2)o1 ZINC000043752488 177351749 /nfs/dbraw/zinc/35/17/49/177351749.db2.gz WKDRNSSPNDPGLC-GWCFXTLKSA-N 0 0 247.338 2.862 50 0 BFAARN C[C@H]1C[C@H](O)c2cc(Br)ccc2N1 ZINC000004663562 177374580 /nfs/dbraw/zinc/37/45/80/177374580.db2.gz USYQORVUJKRYHT-WKEGUHRASA-N 0 0 242.116 2.687 50 0 BFAARN C[C@H]1C[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000023584073 177376270 /nfs/dbraw/zinc/37/62/70/177376270.db2.gz KEDJQFLLRPRICD-DNXSLQQOSA-N 0 0 233.355 2.727 50 0 BFAARN C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000005611240 177376711 /nfs/dbraw/zinc/37/67/11/177376711.db2.gz DJRKGPMTRJEWCF-TVQRCGJNSA-N 0 0 215.296 2.770 50 0 BFAARN C[C@H]1C[C@H]1C(=O)NCc1ccccc1Cl ZINC000000372111 177377032 /nfs/dbraw/zinc/37/70/32/177377032.db2.gz NMOUSSKELMDEIW-WCBMZHEXSA-N 0 0 223.703 2.612 50 0 BFAARN C[C@H]1C[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000012916171 177377062 /nfs/dbraw/zinc/37/70/62/177377062.db2.gz BEYWKICFLRGLEB-GZMMTYOYSA-N 0 0 223.703 2.612 50 0 BFAARN C[C@]1(C(=O)Nc2cccnc2)CC1(Cl)Cl ZINC000004757523 177457286 /nfs/dbraw/zinc/45/72/86/177457286.db2.gz NNXSQUVAQRKHBN-SECBINFHSA-N 0 0 245.109 2.604 50 0 BFAARN CC(C)(C)OC(=O)c1ccc(C=O)c(F)c1 ZINC000147538177 487683861 /nfs/dbraw/zinc/68/38/61/487683861.db2.gz XGBUSIWKMBMZGV-UHFFFAOYSA-N 0 0 224.231 2.594 50 0 BFAARN Fc1ccc(/C=C/c2ccncn2)cc1 ZINC000034585880 262779002 /nfs/dbraw/zinc/77/90/02/262779002.db2.gz ZKKROFGWMPGQPN-ZZXKWVIFSA-N 0 0 200.216 2.786 50 0 BFAARN CCOC(=O)c1ncoc1CCc1ccccc1 ZINC000043304225 262790204 /nfs/dbraw/zinc/79/02/04/262790204.db2.gz WTXWMJAIOMVHKT-UHFFFAOYSA-N 0 0 245.278 2.637 50 0 BFAARN COc1cc(-c2ccc(F)cc2)ccn1 ZINC000047204803 487775886 /nfs/dbraw/zinc/77/58/86/487775886.db2.gz NNKHLUDPZPWOPI-UHFFFAOYSA-N 0 0 203.216 2.896 50 0 BFAARN Cc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 ZINC000062559689 322942924 /nfs/dbraw/zinc/94/29/24/322942924.db2.gz ZXOYVWGKDNWGAK-UHFFFAOYSA-N 0 0 233.311 2.767 50 0 BFAARN CC(C)=CC(=O)N1CCC[C@@H]1c1cc(C)on1 ZINC000044634400 487821570 /nfs/dbraw/zinc/82/15/70/487821570.db2.gz VWIFOSZQDZCKOJ-GFCCVEGCSA-N 0 0 234.299 2.613 50 0 BFAARN C[C@H]1C[C@H]1C(=O)N(C1CC1)C1CCCC1 ZINC000089920375 487884863 /nfs/dbraw/zinc/88/48/63/487884863.db2.gz PLVBODNSYBCJJQ-JOYOIKCWSA-N 0 0 207.317 2.576 50 0 BFAARN CCc1nc(-c2cccc(C(N)=O)c2)sc1C ZINC000048841971 487933437 /nfs/dbraw/zinc/93/34/37/487933437.db2.gz KWWQPOCPGFHHTK-UHFFFAOYSA-N 0 0 246.335 2.780 50 0 BFAARN Cc1cc(N)n(-c2ccc(C)c(Cl)c2)n1 ZINC000000529032 322810030 /nfs/dbraw/zinc/81/00/30/322810030.db2.gz RQSIXJBWUWRVKB-UHFFFAOYSA-N 0 0 221.691 2.725 50 0 BFAARN CC[C@H](SC)C(=O)Nc1ccc(O)cc1F ZINC000097238716 322986606 /nfs/dbraw/zinc/98/66/06/322986606.db2.gz SHZZXGIEVITACG-JTQLQIEISA-N 0 0 243.303 2.611 50 0 BFAARN CC[C@@H](OC)C(=O)NC1(c2ccc(C)cc2)CC1 ZINC000534589582 323154411 /nfs/dbraw/zinc/15/44/11/323154411.db2.gz KNCKJWMCXOFBDA-CYBMUJFWSA-N 0 0 247.338 2.525 50 0 BFAARN CC[C@H](C(=O)NCC1(C(C)C)CC1)n1cccc1 ZINC000534658830 323158071 /nfs/dbraw/zinc/15/80/71/323158071.db2.gz XZXJYLIBXYRIEX-CYBMUJFWSA-N 0 0 248.370 2.992 50 0 BFAARN O=C(C[C@@H]1CC1(F)F)NC1(C2CCCC2)CC1 ZINC000534661862 323159092 /nfs/dbraw/zinc/15/90/92/323159092.db2.gz GYTFIYQAJIGCLK-SNVBAGLBSA-N 0 0 243.297 2.871 50 0 BFAARN CC(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000049277563 323159443 /nfs/dbraw/zinc/15/94/43/323159443.db2.gz VJPATLBXYSRERP-UHFFFAOYSA-N 0 0 228.251 2.832 50 0 BFAARN COc1cc2c(c3ccccc13)C(=O)C=CC2=O ZINC000038590391 323236342 /nfs/dbraw/zinc/23/63/42/323236342.db2.gz XMMHVGOFNJVTGY-UHFFFAOYSA-N 0 0 238.242 2.784 50 0 BFAARN c1csc(-c2nc(Cn3ccnn3)cs2)c1 ZINC000128039155 324802396 /nfs/dbraw/zinc/80/23/96/324802396.db2.gz CJTQSVZILJYUAJ-UHFFFAOYSA-N 0 0 248.336 2.511 50 0 BFAARN O=C(NC(C1CC1)C1CC1)N1C[C@@H]2CCC[C@H]2C1 ZINC000089817869 325669754 /nfs/dbraw/zinc/66/97/54/325669754.db2.gz MZJGSQNNXSFSIX-STQMWFEESA-N 0 0 248.370 2.617 50 0 BFAARN COc1cccc([C@H](C)OC(=O)C2CC2)c1 ZINC000084656252 488077346 /nfs/dbraw/zinc/07/73/46/488077346.db2.gz LJJAJSLKWHEJAU-VIFPVBQESA-N 0 0 220.268 2.709 50 0 BFAARN Cc1ccccc1OCCn1cccc(C)c1=O ZINC000078488880 488210139 /nfs/dbraw/zinc/21/01/39/488210139.db2.gz ICHRMRPEASDCPN-UHFFFAOYSA-N 0 0 243.306 2.544 50 0 BFAARN CC(C)C(C)(C)Nc1ccc(C(N)=O)cc1 ZINC000526058853 490106008 /nfs/dbraw/zinc/10/60/08/490106008.db2.gz VNMRPYUDZYLHAE-UHFFFAOYSA-N 0 0 220.316 2.632 50 0 BFAARN FC(F)(F)Oc1ccc2c(c1)NCC2 ZINC000026894122 490193757 /nfs/dbraw/zinc/19/37/57/490193757.db2.gz CZFUAUSGMISVFX-UHFFFAOYSA-N 0 0 203.163 2.553 50 0 BFAARN COC[C@@H](C)Nc1cccc(N(C)C)c1C ZINC000097162444 490326282 /nfs/dbraw/zinc/32/62/82/490326282.db2.gz XOGNYAILWRMIME-SNVBAGLBSA-N 0 0 222.332 2.508 50 0 BFAARN COC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000000157118 574410961 /nfs/dbraw/zinc/41/09/61/574410961.db2.gz HXVTYMWVMVKVTF-UHFFFAOYSA-N 0 0 206.285 2.700 50 0 endogenous,in-man BFAARN CNc1cc(C)nc2c(OC)cccc12 ZINC000041474690 517979565 /nfs/dbraw/zinc/97/95/65/517979565.db2.gz CQGSFEYORGXDRT-UHFFFAOYSA-N 0 0 202.257 2.594 50 0 BFAARN CC(=O)[C@@H]1CCCC(=O)[C@@H]2CC[C@H](C)[C@@H]21 ZINC000252603975 518206609 /nfs/dbraw/zinc/20/66/09/518206609.db2.gz FVYBONJZCMSLFD-KYVBTAMFSA-N 0 0 208.301 2.607 50 0 BFAARN CCCCOCc1nc(Cc2ccccc2)n[nH]1 ZINC000065498490 520810013 /nfs/dbraw/zinc/81/00/13/520810013.db2.gz QJIHHVDCMRGWQP-UHFFFAOYSA-N 0 0 245.326 2.712 50 0 BFAARN CCCCS(=O)(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245237824 520940744 /nfs/dbraw/zinc/94/07/44/520940744.db2.gz YKMHRJYVUGTDFJ-IJLUTSLNSA-N 0 0 247.404 2.531 50 0 BFAARN CCOCCC(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000071915298 521675202 /nfs/dbraw/zinc/67/52/02/521675202.db2.gz BSTWGBGXHHCEQQ-CYBMUJFWSA-N 0 0 249.354 2.641 50 0 BFAARN CC[C@@H](C)CN(C)C(=O)NCc1ccsc1 ZINC000078924934 521960659 /nfs/dbraw/zinc/96/06/59/521960659.db2.gz YWGSWTZIPSWCIN-SNVBAGLBSA-N 0 0 240.372 2.936 50 0 BFAARN CC[C@@H](C)N(C(=O)[C@@H]1CCO[C@H]1C)[C@@H](C)CC ZINC000242346951 522033875 /nfs/dbraw/zinc/03/38/75/522033875.db2.gz ZKNSKAIPTUAXLN-QNWHQSFQSA-N 0 0 241.375 2.837 50 0 BFAARN CC[C@H](C)C(=O)NCCSC1CCCC1 ZINC000040511071 523831654 /nfs/dbraw/zinc/83/16/54/523831654.db2.gz OSJCVELNJMTTAL-JTQLQIEISA-N 0 0 229.389 2.825 50 0 BFAARN Cc1cc(C(=O)Nc2nc(C3CC3)cs2)on1 ZINC000025561820 524186488 /nfs/dbraw/zinc/18/64/88/524186488.db2.gz LWEHKRXMHUYIJF-UHFFFAOYSA-N 0 0 249.295 2.569 50 0 BFAARN C[C@H](CCc1ccccc1)NC(=O)[C@H]1C[C@H]1C ZINC000239377875 524244420 /nfs/dbraw/zinc/24/44/20/524244420.db2.gz ODKGPKDUWUIWBK-BZPMIXESSA-N 0 0 231.339 2.780 50 0 BFAARN C[C@H](CNc1ccccc1)NC(=O)C1CC=CC1 ZINC000089901393 524507239 /nfs/dbraw/zinc/50/72/39/524507239.db2.gz CWIQERDVCTXMLP-GFCCVEGCSA-N 0 0 244.338 2.569 50 0 BFAARN C[S@](=O)/C(Cl)=C\c1cccs1 ZINC000252508109 525379304 /nfs/dbraw/zinc/37/93/04/525379304.db2.gz XDCGAOUMMVCFIZ-XOIDGJRKSA-N 0 0 206.719 2.664 50 0 BFAARN C[C@@H]1O[C@H](C)[C@H](C)[C@@H](c2ccccc2O)O1 ZINC000239378420 525604598 /nfs/dbraw/zinc/60/45/98/525604598.db2.gz OSYQUVFLQIPNCW-WTBMIXGQSA-N 0 0 222.284 2.851 50 0 biogenic BFAARN C[C@H](C1CC1)N(C)C(=O)CCOc1ccccc1 ZINC000058415231 526201383 /nfs/dbraw/zinc/20/13/83/526201383.db2.gz HIPPLUKNXVPHLX-GFCCVEGCSA-N 0 0 247.338 2.712 50 0 BFAARN O=C(NCCSC1CCCC1)C1CCC1 ZINC000040511059 526371179 /nfs/dbraw/zinc/37/11/79/526371179.db2.gz QHCPHEKMAWEHAJ-UHFFFAOYSA-N 0 0 227.373 2.579 50 0 BFAARN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC1 ZINC000253370907 526952502 /nfs/dbraw/zinc/95/25/02/526952502.db2.gz XUJCZHUPQVBGRA-KGYLQXTDSA-N 0 0 221.344 2.872 50 0 BFAARN O=Cc1cccc(C2(CO)CCCCC2)c1 ZINC000256047860 527151654 /nfs/dbraw/zinc/15/16/54/527151654.db2.gz PDEYPPLHXKSWLD-UHFFFAOYSA-N 0 0 218.296 2.693 50 0 BFAARN O=C(Cc1cccc(O)c1)OCc1ccccc1 ZINC000002526453 527269520 /nfs/dbraw/zinc/26/95/20/527269520.db2.gz ALFOBMRIXXPJLQ-UHFFFAOYSA-N 0 0 242.274 2.678 50 0 BFAARN OCCCCCSc1ncc2ccccn21 ZINC000072058046 527536138 /nfs/dbraw/zinc/53/61/38/527536138.db2.gz SQLCXZSFYMDOPX-UHFFFAOYSA-N 0 0 236.340 2.589 50 0 BFAARN CCCOCC(=O)Nc1cccc2cnccc21 ZINC000065503624 535232796 /nfs/dbraw/zinc/23/27/96/535232796.db2.gz CVPGOPZFNNSDMK-UHFFFAOYSA-N 0 0 244.294 2.600 50 0 BFAARN CCOC(=O)N1CCCc2cc(C)ccc21 ZINC000016580169 535775570 /nfs/dbraw/zinc/77/55/70/535775570.db2.gz ADBFJJUDWCSWTF-UHFFFAOYSA-N 0 0 219.284 2.904 50 0 BFAARN c1cc([C@H]2NC(c3ccccc3)=NO2)cs1 ZINC000003255812 537959255 /nfs/dbraw/zinc/95/92/55/537959255.db2.gz SQWSKQMRENKWSF-LBPRGKRZSA-N 0 0 230.292 2.728 50 0 BFAARN CC(C)[C@H]1CCCCN1C(=O)Nc1cccnn1 ZINC000097103657 566293929 /nfs/dbraw/zinc/29/39/29/566293929.db2.gz QMYLPJJBFAQZSW-LLVKDONJSA-N 0 0 248.330 2.519 50 0 BFAARN O=C(Nc1onc2c1CCC2)c1ccc(F)cc1 ZINC000008976364 588765081 /nfs/dbraw/zinc/76/50/81/588765081.db2.gz AEIHKOGKGBLYAZ-UHFFFAOYSA-N 0 0 246.241 2.555 50 0 BFAARN CC[C@H](C)C(=O)C=C([O-])c1ccccc1 ZINC000039268863 582675701 /nfs/dbraw/zinc/67/57/01/582675701.db2.gz VTLQBZISYPTVHR-JTQLQIEISA-N 0 0 204.269 2.875 50 0 BFAARN C=CC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000888098786 583181127 /nfs/dbraw/zinc/18/11/27/583181127.db2.gz PMNZXGOMIAOZRD-LBPRGKRZSA-N 0 0 217.268 2.519 50 0 BFAARN C[Si](C)(C)C(F)(F)Br ZINC000169806108 583947341 /nfs/dbraw/zinc/94/73/41/583947341.db2.gz WDZVWBWAUSUTTO-UHFFFAOYSA-N 0 0 203.102 2.852 50 0 BFAARN C=CC(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000791348934 585978497 /nfs/dbraw/zinc/97/84/97/585978497.db2.gz LIKRVWQWLWELPF-CQSZACIVSA-N 0 0 229.323 2.969 50 0 BFAARN C=CC(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000791368369 585979287 /nfs/dbraw/zinc/97/92/87/585979287.db2.gz AUZIVBRVFXAUQT-UHFFFAOYSA-N 0 0 221.687 2.631 50 0 BFAARN C=CC(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000848979047 588422760 /nfs/dbraw/zinc/42/27/60/588422760.db2.gz JSHXPDWBZFMKCZ-UHFFFAOYSA-N 0 0 232.283 2.528 50 0 BFAARN C=CC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000848979133 588422776 /nfs/dbraw/zinc/42/27/76/588422776.db2.gz FUJBPJDTSHGDLY-DTWKUNHWSA-N 0 0 235.249 2.657 50 0 BFAARN C=CC(=O)N1CC2(CCC2)c2c1cccc2F ZINC000848979606 588423155 /nfs/dbraw/zinc/42/31/55/588423155.db2.gz ZZJNNBNXKYAHOW-UHFFFAOYSA-N 0 0 231.270 2.780 50 0 BFAARN Cn1cnc2cc(-c3cnc(C4CC4)o3)ncc21 ZINC000863729849 589313579 /nfs/dbraw/zinc/31/35/79/589313579.db2.gz PWTJPSQIYIUMTL-UHFFFAOYSA-N 0 0 240.266 2.501 50 0 BFAARN C=CC(=O)NCC1(c2ccccc2F)CCC1 ZINC000863970997 589330306 /nfs/dbraw/zinc/33/03/06/589330306.db2.gz AFOVMXZRGLGIEH-UHFFFAOYSA-N 0 0 233.286 2.550 50 0 BFAARN C=CC(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000863971347 589330670 /nfs/dbraw/zinc/33/06/70/589330670.db2.gz PRTXQXFRYQHFBG-UHFFFAOYSA-N 0 0 236.340 2.882 50 0 BFAARN CC(C)(C)SCCNC(=O)[C@@H]1CC1(C)C ZINC000122832549 589636452 /nfs/dbraw/zinc/63/64/52/589636452.db2.gz PLFAYZJDPQHAEV-VIFPVBQESA-N 0 0 229.389 2.680 50 0 BFAARN Nc1cc(Br)ccc1OCC1CC1 ZINC000019870500 590016994 /nfs/dbraw/zinc/01/69/94/590016994.db2.gz RYDWFOADOLXIGG-UHFFFAOYSA-N 0 0 242.116 2.820 50 0 BFAARN c1nc2ccc(-c3nc(C4CCC4)no3)cc2[nH]1 ZINC000874435446 590110301 /nfs/dbraw/zinc/11/03/01/590110301.db2.gz SQSVPVKROKBQRW-UHFFFAOYSA-N 0 0 240.266 2.880 50 0 BFAARN CC(C)(C)[C@]12C=C[C@]1(C(C)(C)C)[C@](C)(O)C2=O ZINC000104097436 634445516 /nfs/dbraw/zinc/44/55/16/634445516.db2.gz PGVKVVAMESVVFG-KFWWJZLASA-N 0 0 236.355 2.955 50 0 BFAARN Oc1c(F)cc(/C=C\c2ccnnc2)cc1F ZINC000888105366 635395254 /nfs/dbraw/zinc/39/52/54/635395254.db2.gz UMHAVMMBUANCIV-UPHRSURJSA-N 0 0 234.205 2.631 50 0 BFAARN CCCn1ncnc1-c1cc(F)ccc1OC ZINC000426386239 635698035 /nfs/dbraw/zinc/69/80/35/635698035.db2.gz AUOACKCVIUCMQQ-UHFFFAOYSA-N 0 0 235.262 2.503 50 0 BFAARN CCn1nc(C)c(-c2cccnc2OC)c1C ZINC000426537706 635725926 /nfs/dbraw/zinc/72/59/26/635725926.db2.gz NWSPUKOLEXQNRQ-UHFFFAOYSA-N 0 0 231.299 2.590 50 0 BFAARN CCCSc1cc(Cl)nc(C)n1 ZINC000052837676 632503108 /nfs/dbraw/zinc/50/31/08/632503108.db2.gz FGVBKTCSBZIRIJ-UHFFFAOYSA-N 0 0 202.710 2.941 50 0 BFAARN CCCC(=O)c1cc(CCOC)ccc1O ZINC000052068516 632785820 /nfs/dbraw/zinc/78/58/20/632785820.db2.gz DMXLNQFOVUKRJQ-UHFFFAOYSA-N 0 0 222.284 2.564 50 0 BFAARN Cc1ccc(O)c(NC(=O)c2ccccc2)c1 ZINC000007078876 635869999 /nfs/dbraw/zinc/86/99/99/635869999.db2.gz NPRCXSMNRVGHSK-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN Cc1cnn(Cc2cccc(F)c2F)c1 ZINC000098013755 633140353 /nfs/dbraw/zinc/14/03/53/633140353.db2.gz DRQSSUGSAHFXKD-UHFFFAOYSA-N 0 0 208.211 2.518 50 0 BFAARN C=CC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000888093347 635364183 /nfs/dbraw/zinc/36/41/83/635364183.db2.gz IMMXQUSJBVNLBI-QMTHXVAHSA-N 0 0 233.286 2.921 50 0 BFAARN C=CC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000888093348 635364766 /nfs/dbraw/zinc/36/47/66/635364766.db2.gz IMMXQUSJBVNLBI-YGRLFVJLSA-N 0 0 233.286 2.921 50 0 BFAARN O=[N+]([O-])c1ccc(F)c(-c2ccncc2F)c1 ZINC000149478833 638501647 /nfs/dbraw/zinc/50/16/47/638501647.db2.gz BFPHSSVKDZJNQL-UHFFFAOYSA-N 0 0 236.177 2.935 50 0 BFAARN O=C(Nc1ccnn1C1CCCC1)c1ccc[nH]1 ZINC000061206113 640939004 /nfs/dbraw/zinc/93/90/04/640939004.db2.gz WTPBPLKVSOFDLY-UHFFFAOYSA-N 0 0 244.298 2.579 50 0 BFAARN CC[C@@H]1OC[C@H]2Cc3ccccc3[C@@H]2O1 ZINC000022339216 641205043 /nfs/dbraw/zinc/20/50/43/641205043.db2.gz GRUQFUUIIULWTC-RAIGVLPGSA-N 0 0 204.269 2.683 50 0 BFAARN c1cncc(-c2cc(N3CCCCC3)ncn2)c1 ZINC000032558449 641373137 /nfs/dbraw/zinc/37/31/37/641373137.db2.gz KZPAFPVVZOHIJU-UHFFFAOYSA-N 0 0 240.310 2.529 50 0 BFAARN COc1ncccc1-c1ncnc2sccc21 ZINC000032577669 641885255 /nfs/dbraw/zinc/88/52/55/641885255.db2.gz CLGQXDDHVRBLQT-UHFFFAOYSA-N 0 0 243.291 2.762 50 0 BFAARN Cc1cccc(CNC(=O)/C=C\c2ccco2)c1 ZINC000098004800 642654939 /nfs/dbraw/zinc/65/49/39/642654939.db2.gz AULIRFXIIPDRGB-FPLPWBNLSA-N 0 0 241.290 2.918 50 0 BFAARN CC1(C)CNC=C(c2ccccc2)CC1=O ZINC000001512858 642821841 /nfs/dbraw/zinc/82/18/41/642821841.db2.gz KEPWWVMOGLFIPK-UHFFFAOYSA-N 0 0 215.296 2.616 50 0 BFAARN O=C(CC1CC1)Nc1ccnn1C1CCCC1 ZINC000019147750 643038005 /nfs/dbraw/zinc/03/80/05/643038005.db2.gz DFBRUMLZTNJFIV-UHFFFAOYSA-N 0 0 233.315 2.737 50 0 BFAARN Oc1cccc(-c2noc(C3CCC3)n2)c1 ZINC000034956175 643367608 /nfs/dbraw/zinc/36/76/08/643367608.db2.gz WLYVPVHRPPUAIM-UHFFFAOYSA-N 0 0 216.240 2.710 50 0 BFAARN C=CC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000199100636 643689477 /nfs/dbraw/zinc/68/94/77/643689477.db2.gz RSRJNVYRGZQIFE-NSHDSACASA-N 0 0 219.284 2.909 50 0 BFAARN CCn1nc(C)cc1-c1cccc2nsnc21 ZINC000952993474 643788244 /nfs/dbraw/zinc/78/82/44/643788244.db2.gz YGUYUZAQRUXAQF-UHFFFAOYSA-N 0 0 244.323 2.883 50 0 BFAARN O=c1cc(-c2ccc(-c3ccncc3)cc2)[nH][nH]1 ZINC000952966857 644446881 /nfs/dbraw/zinc/44/68/81/644446881.db2.gz FMDSTAWJKHBEQJ-UHFFFAOYSA-N 0 0 237.262 2.844 50 0 BFAARN CC[C@H](c1ccccn1)N(C)C(=O)c1cc[nH]c1 ZINC000952984544 644449729 /nfs/dbraw/zinc/44/97/29/644449729.db2.gz XPWWEXOMWKIFEO-CYBMUJFWSA-N 0 0 243.310 2.633 50 0 BFAARN CC(=NO)c1nc2ccccc2n1C(F)F ZINC000389897034 711096498 /nfs/dbraw/zinc/09/64/98/711096498.db2.gz ZTLFPGJLKZIUIH-UHFFFAOYSA-N 0 0 225.198 2.630 50 0 BFAARN C[C@H]1CCC(=O)C[C@@H]1Oc1ccccc1 ZINC000725362967 711664325 /nfs/dbraw/zinc/66/43/25/711664325.db2.gz WKIIXDFFDFBOQZ-GWCFXTLKSA-N 0 0 204.269 2.823 50 0 BFAARN CC(C)=C(F)C(=O)O[C@H](C)c1cccnc1 ZINC000095452016 711975943 /nfs/dbraw/zinc/97/59/43/711975943.db2.gz SUQZQMQQYNSRRO-SECBINFHSA-N 0 0 223.247 2.949 50 0 BFAARN O[C@H]1CCCC[C@@H]1Oc1cccc(F)c1 ZINC000037695834 712741797 /nfs/dbraw/zinc/74/17/97/712741797.db2.gz VATYMUAUAJJXOC-RYUDHWBXSA-N 0 0 210.248 2.508 50 0 BFAARN Cc1ccsc1COc1nccnc1C ZINC000585651032 959542195 /nfs/dbraw/zinc/54/21/95/959542195.db2.gz JDQUFZCWOJTISQ-UHFFFAOYSA-N 0 0 220.297 2.734 50 0 BFAARN CCOC(=O)/C=C(/C)c1ccccc1C ZINC000217925355 971898371 /nfs/dbraw/zinc/89/83/71/971898371.db2.gz RPLMFWLMSODWAB-LUAWRHEFSA-N 0 0 204.269 2.961 50 0 BFAARN Cc1nocc1NC(=O)N[C@@H]1CC12CCCCC2 ZINC000585119529 972152884 /nfs/dbraw/zinc/15/28/84/972152884.db2.gz JWUXVPXHLZPHIC-LLVKDONJSA-N 0 0 249.314 2.827 50 0 BFAARN CC1=NO[C@@H](c2nc(-c3ccc(C)cc3)no2)C1 ZINC000585133566 972170316 /nfs/dbraw/zinc/17/03/16/972170316.db2.gz MJBZXOZZVPKCKW-LLVKDONJSA-N 0 0 243.266 2.882 50 0 BFAARN COc1ccc(N[C@@H]2COC[C@H]2C)cc1Cl ZINC000687996772 959691873 /nfs/dbraw/zinc/69/18/73/959691873.db2.gz KRPUYNMAUAYVBK-LDYMZIIASA-N 0 0 241.718 2.795 50 0 BFAARN CC[C@H](Cn1cncn1)Nc1ccc(C)c(C)c1 ZINC000888095527 961249393 /nfs/dbraw/zinc/24/93/93/961249393.db2.gz LZLGUWLXKWWMPC-CYBMUJFWSA-N 0 0 244.342 2.786 50 0 BFAARN CC[C@@H](OC)c1ncnn1Cc1ccc(C)cc1 ZINC000822667813 968531974 /nfs/dbraw/zinc/53/19/74/968531974.db2.gz YEMCIZWKQLTZGL-CYBMUJFWSA-N 0 0 245.326 2.732 50 0 BFAARN Cc1cccnc1Nc1cc(C2CC2)ncn1 ZINC000825236509 968638731 /nfs/dbraw/zinc/63/87/31/968638731.db2.gz GIOUOVARSGMGQX-UHFFFAOYSA-N 0 0 226.283 2.801 50 0 BFAARN Cc1nc(-c2c(C)noc2C)n(C(C)(C)C)n1 ZINC000825273268 968640687 /nfs/dbraw/zinc/64/06/87/968640687.db2.gz LQKTXKWRZHLJMB-UHFFFAOYSA-N 0 0 234.303 2.613 50 0 BFAARN c1ccc2nc(OC3CCOCC3)ccc2c1 ZINC000585650506 973916597 /nfs/dbraw/zinc/91/65/97/973916597.db2.gz ANJOIIZLAPKBMM-UHFFFAOYSA-N 0 0 229.279 2.793 50 0 BFAARN Cc1cncc(O[C@@H]2CCc3ccccc32)n1 ZINC000585651138 973917416 /nfs/dbraw/zinc/91/74/16/973917416.db2.gz KWEWFQGYZDDGNC-CYBMUJFWSA-N 0 0 226.279 2.851 50 0 BFAARN Cc1cncc(O[C@H]2CCc3ccccc32)n1 ZINC000585651139 973922195 /nfs/dbraw/zinc/92/21/95/973922195.db2.gz KWEWFQGYZDDGNC-ZDUSSCGKSA-N 0 0 226.279 2.851 50 0 BFAARN c1cc2c(ncnc2OC2CCC2)s1 ZINC000585652959 973926573 /nfs/dbraw/zinc/92/65/73/973926573.db2.gz ZXNBIVDTVYEHFV-UHFFFAOYSA-N 0 0 206.270 2.623 50 0 BFAARN FC(F)(F)c1cccc(O[C@H]2CCSC2)n1 ZINC000585654221 973929049 /nfs/dbraw/zinc/92/90/49/973929049.db2.gz FIOVKFITDBTTPE-ZETCQYMHSA-N 0 0 249.257 2.985 50 0 BFAARN C=CC(=O)N1CCC[C@H]1c1cccc(C)c1 ZINC000952875946 974054418 /nfs/dbraw/zinc/05/44/18/974054418.db2.gz JEPNRVHEAWSHNW-ZDUSSCGKSA-N 0 0 215.296 2.845 50 0 BFAARN CSC[C@H](C)c1nc(C2(CF)CC2)no1 ZINC000952881702 974059927 /nfs/dbraw/zinc/05/99/27/974059927.db2.gz MLVAEPFHTBHTTM-ZETCQYMHSA-N 0 0 230.308 2.537 50 0 BFAARN COc1ccc(-c2cc(C3CC3)on2)cn1 ZINC000952882615 974062207 /nfs/dbraw/zinc/06/22/07/974062207.db2.gz GTOWTRHKPXLJBE-UHFFFAOYSA-N 0 0 216.240 2.623 50 0 BFAARN C=CC(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000952884419 974063308 /nfs/dbraw/zinc/06/33/08/974063308.db2.gz CTYQZABWTVQVGX-VIFPVBQESA-N 0 0 217.259 2.504 50 0 BFAARN COc1ccc(N[C@H]2COC[C@H]2C)cc1Cl ZINC000687996756 985449766 /nfs/dbraw/zinc/44/97/66/985449766.db2.gz KRPUYNMAUAYVBK-KCJUWKMLSA-N 0 0 241.718 2.795 50 0 BFAARN CCn1nc(C)nc1-c1cc(C)ccc1OC ZINC001506405237 988774741 /nfs/dbraw/zinc/77/47/41/988774741.db2.gz DCVBGRVISAEURQ-UHFFFAOYSA-N 0 0 231.299 2.590 50 0 BFAARN Cc1nc2ncc(-c3ccc(C)c(F)c3)cn2n1 ZINC001506408589 988777671 /nfs/dbraw/zinc/77/76/71/988777671.db2.gz NLBCJYGOGYRIGF-UHFFFAOYSA-N 0 0 242.257 2.547 50 0 BFAARN CCc1c(C)nn(C)c1NC(=O)[C@@H]1CC=CCC1 ZINC001506422025 988781021 /nfs/dbraw/zinc/78/10/21/988781021.db2.gz ZMDDAEGKUCSNHD-LLVKDONJSA-N 0 0 247.342 2.586 50 0 BFAARN COc1ccc(-c2cnc3cccnn32)cc1F ZINC001506417261 988782534 /nfs/dbraw/zinc/78/25/34/988782534.db2.gz MAZKDLVIKMBLOW-UHFFFAOYSA-N 0 0 243.241 2.544 50 0 BFAARN CCC1(CC)C[C@@H]1CNc1nccc(N(C)C)n1 ZINC001529191726 990338594 /nfs/dbraw/zinc/33/85/94/990338594.db2.gz DJQUVJLNUINXJW-LLVKDONJSA-N 0 0 248.374 2.781 50 0 BFAARN CCC(C)(CC)NC(=O)c1ccc2c(c1)OCO2 ZINC000084721156 168309489 /nfs/dbraw/zinc/30/94/89/168309489.db2.gz SLQBBDZMNKOSSQ-UHFFFAOYSA-N 0 0 249.310 2.724 50 0 BFAARN Cc1cc(C)n(C2CN(Cc3ccsc3)C2)n1 ZINC000097522739 177922223 /nfs/dbraw/zinc/92/22/23/177922223.db2.gz FMUVPZKEVRHWRY-UHFFFAOYSA-N 0 0 247.367 2.618 50 0 BFAARN CCC(CC)(CC)NC(=O)Nc1ccn(C)n1 ZINC000096434406 168316685 /nfs/dbraw/zinc/31/66/85/168316685.db2.gz RHURWMSVHQUCTJ-UHFFFAOYSA-N 0 0 238.335 2.510 50 0 BFAARN Cc1nc(/C=C\C(=O)NCCC(C)C)cs1 ZINC000096939891 398141202 /nfs/dbraw/zinc/14/12/02/398141202.db2.gz QAOZMZOEQWCUEU-PLNGDYQASA-N 0 0 238.356 2.627 50 0 BFAARN Nc1ccc(C(F)(F)F)c2cccnc12 ZINC000038586497 346810263 /nfs/dbraw/zinc/81/02/63/346810263.db2.gz KJLQGKLEIKGMCQ-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN Cc1cc(CNC(=O)C2CCC2)ccc1F ZINC000032865084 178011076 /nfs/dbraw/zinc/01/10/76/178011076.db2.gz BMAMXJVZEWAFQJ-UHFFFAOYSA-N 0 0 221.275 2.550 50 0 BFAARN Cc1cc(CNC(=O)C2CCCC2)c(C)o1 ZINC000070640326 178011270 /nfs/dbraw/zinc/01/12/70/178011270.db2.gz KMHJNRIJYVERJK-UHFFFAOYSA-N 0 0 221.300 2.703 50 0 BFAARN CCc1ccc(C(=O)N[C@@H](C)C(C)C)o1 ZINC000036395989 343979983 /nfs/dbraw/zinc/97/99/83/343979983.db2.gz XXJORUJHLMBLSX-VIFPVBQESA-N 0 0 209.289 2.616 50 0 BFAARN Cc1cc(Cl)nc([C@@H]2CCCCN2C)n1 ZINC000072343830 178073367 /nfs/dbraw/zinc/07/33/67/178073367.db2.gz WBTVNMZPILFKRX-VIFPVBQESA-N 0 0 225.723 2.595 50 0 BFAARN Cc1cc(CNc2cccc(F)c2)on1 ZINC000335568479 178042804 /nfs/dbraw/zinc/04/28/04/178042804.db2.gz QPSCPWKJHKTZSH-UHFFFAOYSA-N 0 0 206.220 2.734 50 0 BFAARN CO[C@@H](C)C(=O)Nc1cc2ccccc2nc1C ZINC000241132937 398160323 /nfs/dbraw/zinc/16/03/23/398160323.db2.gz JNIKNTBNDMPTIM-JTQLQIEISA-N 0 0 244.294 2.517 50 0 BFAARN Cc1cc(Cl)nc(NC(=O)c2ccccc2)n1 ZINC000038478051 178071010 /nfs/dbraw/zinc/07/10/10/178071010.db2.gz QVIQLGYOBORBQR-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1cc(Cl)nc(-c2cccnc2)n1 ZINC000008700461 178071504 /nfs/dbraw/zinc/07/15/04/178071504.db2.gz CTAGJBGOBMTVOG-UHFFFAOYSA-N 0 0 205.648 2.500 50 0 BFAARN CCC(CC)C(=O)NCc1ccccc1OC ZINC000000299560 168338412 /nfs/dbraw/zinc/33/84/12/168338412.db2.gz ZGZCLSSFCRXOFZ-UHFFFAOYSA-N 0 0 235.327 2.748 50 0 BFAARN Cc1cc(F)ccc1CNc1nncs1 ZINC000083352548 178086923 /nfs/dbraw/zinc/08/69/23/178086923.db2.gz OMRCAIHRNJKWCB-UHFFFAOYSA-N 0 0 223.276 2.598 50 0 BFAARN Cc1cc(N)ccc1NC(=O)c1ccc(F)cc1 ZINC000019736352 178104831 /nfs/dbraw/zinc/10/48/31/178104831.db2.gz BVYOFXROLDCQEF-UHFFFAOYSA-N 0 0 244.269 2.969 50 0 BFAARN Cc1cc(N)ccc1NC(=O)CC(C)C ZINC000000569966 178105428 /nfs/dbraw/zinc/10/54/28/178105428.db2.gz MCKIAYTUKYRNMY-UHFFFAOYSA-N 0 0 206.289 2.562 50 0 BFAARN Cc1cc(N)ccc1OCC(F)(F)F ZINC000036950228 178107117 /nfs/dbraw/zinc/10/71/17/178107117.db2.gz HPQBTNDTWKOCSA-UHFFFAOYSA-N 0 0 205.179 2.518 50 0 BFAARN Cc1cc(N)cnc1-c1cccc(F)c1 ZINC000047203645 178108037 /nfs/dbraw/zinc/10/80/37/178108037.db2.gz KCNVZAZRQKPOAB-UHFFFAOYSA-N 0 0 202.232 2.778 50 0 BFAARN Cc1cc(N)nn1Cc1c(F)cccc1Cl ZINC000002537768 178111038 /nfs/dbraw/zinc/11/10/38/178111038.db2.gz QEQIDLPZGDGMTK-UHFFFAOYSA-N 0 0 239.681 2.615 50 0 BFAARN Cc1cc(N)nn1-c1cccc(C(F)(F)F)c1 ZINC000054404725 178111373 /nfs/dbraw/zinc/11/13/73/178111373.db2.gz ACRBKDLKEXHHLB-UHFFFAOYSA-N 0 0 241.216 2.782 50 0 BFAARN Cc1cc(NC(=O)NCCC2=CCCCC2)no1 ZINC000012998041 178139449 /nfs/dbraw/zinc/13/94/49/178139449.db2.gz ONCAOIGSMOJSMD-UHFFFAOYSA-N 0 0 249.314 2.995 50 0 BFAARN CCC1(C(=O)Nc2ccc(F)c(N)c2)CCC1 ZINC000097019478 398202386 /nfs/dbraw/zinc/20/23/86/398202386.db2.gz LQUJCPPOBZTURY-UHFFFAOYSA-N 0 0 236.290 2.927 50 0 BFAARN CCC(CC)C(=O)Oc1ccc(C)nc1 ZINC000001006357 168342210 /nfs/dbraw/zinc/34/22/10/168342210.db2.gz XLGQBEUZFBLVRZ-UHFFFAOYSA-N 0 0 207.273 2.732 50 0 BFAARN CC(C)CC(=O)N1CCc2sccc2C1 ZINC000040485580 343982704 /nfs/dbraw/zinc/98/27/04/343982704.db2.gz AAGSFOHNAMBZTM-UHFFFAOYSA-N 0 0 223.341 2.679 50 0 BFAARN Cc1cc(NC(=O)CCc2ccsc2)no1 ZINC000024152731 178128327 /nfs/dbraw/zinc/12/83/27/178128327.db2.gz ZRKMCTFSRCOGNE-UHFFFAOYSA-N 0 0 236.296 2.616 50 0 BFAARN Cc1cc(NC(=O)CCc2cccs2)on1 ZINC000069484013 178128798 /nfs/dbraw/zinc/12/87/98/178128798.db2.gz WSMGKWVPKBYCPD-UHFFFAOYSA-N 0 0 236.296 2.616 50 0 BFAARN Cc1cc(NC(=O)NC2CCCCCC2)no1 ZINC000041462191 178139378 /nfs/dbraw/zinc/13/93/78/178139378.db2.gz USIXNHISBFYUDE-UHFFFAOYSA-N 0 0 237.303 2.827 50 0 BFAARN CCC(CC)C(=O)Nc1ncccc1F ZINC000097110804 168342710 /nfs/dbraw/zinc/34/27/10/168342710.db2.gz SPBUVOSIXXOBKO-UHFFFAOYSA-N 0 0 210.252 2.595 50 0 BFAARN Cc1cc(NC(=O)N[C@H](C)CCC(C)C)no1 ZINC000008328419 178142720 /nfs/dbraw/zinc/14/27/20/178142720.db2.gz BHQBWNFKHTVMEA-SECBINFHSA-N 0 0 239.319 2.929 50 0 BFAARN CNC(=O)c1ccc(-c2ccc3[nH]ccc3c2)o1 ZINC000426716819 398218529 /nfs/dbraw/zinc/21/85/29/398218529.db2.gz FVVMVLHJVNVUCO-UHFFFAOYSA-N 0 0 240.262 2.788 50 0 BFAARN Cc1cc(NC(=O)c2ccc(C)c(C)c2)n(C)n1 ZINC000013596338 178150698 /nfs/dbraw/zinc/15/06/98/178150698.db2.gz DKYBPGGEFZRIGR-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN CCC/C=C/c1ccccc1O[C@H](C)C(N)=O ZINC000426716838 398218641 /nfs/dbraw/zinc/21/86/41/398218641.db2.gz HZFGGNUZTQDJGB-AYLMVEPYSA-N 0 0 233.311 2.753 50 0 BFAARN Cc1cc(NCc2cc(F)ccc2F)no1 ZINC000083353081 178171773 /nfs/dbraw/zinc/17/17/73/178171773.db2.gz YTWMWKHXLDRSEX-UHFFFAOYSA-N 0 0 224.210 2.873 50 0 BFAARN Cc1cc(NCc2csc(C3CC3)n2)no1 ZINC000095990331 178176255 /nfs/dbraw/zinc/17/62/55/178176255.db2.gz ASWIICGHYXSBBH-UHFFFAOYSA-N 0 0 235.312 2.929 50 0 BFAARN Cc1cc(O)c2c(c1)oc(=O)c1c2CCCC1 ZINC000006521480 178198346 /nfs/dbraw/zinc/19/83/46/178198346.db2.gz KAIMSUNJCRGFPE-UHFFFAOYSA-N 0 0 230.263 2.686 50 0 biogenic BFAARN Cc1cc(=O)n2nc(-c3cccc(F)c3)cc2[nH]1 ZINC000100631532 178201069 /nfs/dbraw/zinc/20/10/69/178201069.db2.gz FUEPDXNJIZJKGG-UHFFFAOYSA-N 0 0 243.241 2.549 50 0 BFAARN Cc1cc(O)ccc1NC(=O)c1ccco1 ZINC000001017072 178201074 /nfs/dbraw/zinc/20/10/74/178201074.db2.gz YGVYMGROBBAFSZ-UHFFFAOYSA-N 0 0 217.224 2.546 50 0 BFAARN Cc1cc(OCC(F)(F)C(F)F)ccc1N ZINC000012395209 178210368 /nfs/dbraw/zinc/21/03/68/178210368.db2.gz XOKZXBIERVEWBO-UHFFFAOYSA-N 0 0 237.196 2.856 50 0 BFAARN C[C@@H](NC(=O)c1ccoc1)c1ccc(F)cc1 ZINC000021836042 538935140 /nfs/dbraw/zinc/93/51/40/538935140.db2.gz OGRSMZOHHUNVBQ-SECBINFHSA-N 0 0 233.242 2.910 50 0 BFAARN Cc1cc2c(ncnc2NC[C@@H]2CCCO2)s1 ZINC000002879568 178280823 /nfs/dbraw/zinc/28/08/23/178280823.db2.gz RSAHQKZTMHHQAK-VIFPVBQESA-N 0 0 249.339 2.591 50 0 BFAARN Cc1cc2ncn(-c3nccnc3C)c2cc1C ZINC000065505646 178305842 /nfs/dbraw/zinc/30/58/42/178305842.db2.gz TWAYFZVCAUQREN-UHFFFAOYSA-N 0 0 238.294 2.741 50 0 BFAARN Cc1cc2nc(Cl)nc(Cl)c2[nH]1 ZINC000073737830 178301731 /nfs/dbraw/zinc/30/17/31/178301731.db2.gz WXFDPWLIEMUJRE-UHFFFAOYSA-N 0 0 202.044 2.573 50 0 BFAARN Cc1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000000374700 178302102 /nfs/dbraw/zinc/30/21/02/178302102.db2.gz VSLSAOMCNZSPJW-UHFFFAOYSA-N 0 0 241.216 2.934 50 0 BFAARN Cc1cc2nccc(-c3ccccc3)n2n1 ZINC000001044400 178303600 /nfs/dbraw/zinc/30/36/00/178303600.db2.gz UPIKHLUZOBPXJJ-UHFFFAOYSA-N 0 0 209.252 2.705 50 0 BFAARN Cc1cc2ncn(C(=O)N3CCCC3)c2cc1C ZINC000000612262 178304591 /nfs/dbraw/zinc/30/45/91/178304591.db2.gz RTJVTWONWISTFF-UHFFFAOYSA-N 0 0 243.310 2.717 50 0 BFAARN O=C1CCn2cnc3cccc4ccc1c2c43 ZINC000000041157 398252950 /nfs/dbraw/zinc/25/29/50/398252950.db2.gz HBIWCEFNSGRROL-UHFFFAOYSA-N 0 0 222.247 2.776 50 0 BFAARN Cc1ccc(-c2cc(NC(=O)C3CC3)n[nH]2)s1 ZINC000060322285 178321773 /nfs/dbraw/zinc/32/17/73/178321773.db2.gz RBQPMTIINJXMLY-UHFFFAOYSA-N 0 0 247.323 2.795 50 0 BFAARN Cc1ccc(-c2n[nH]c(Br)n2)cc1 ZINC000049584900 178332748 /nfs/dbraw/zinc/33/27/48/178332748.db2.gz RVSVRDDHPDHMBR-UHFFFAOYSA-N 0 0 238.088 2.543 50 0 BFAARN Cc1ccc(-c2nc([C@@H]3CCOC3)no2)cc1F ZINC000096139008 178336202 /nfs/dbraw/zinc/33/62/02/178336202.db2.gz HWYHECBQCRGQMB-SNVBAGLBSA-N 0 0 248.257 2.688 50 0 BFAARN Cc1ccc(-c2nc3ccccn3c2N)cc1 ZINC000026420142 178337930 /nfs/dbraw/zinc/33/79/30/178337930.db2.gz TWHFPRWXPPMWOI-UHFFFAOYSA-N 0 0 223.279 2.892 50 0 BFAARN Cc1ccc(-c2nc3ncccc3o2)cc1N ZINC000000262399 178337954 /nfs/dbraw/zinc/33/79/54/178337954.db2.gz WGTVXCWMSWDXMG-UHFFFAOYSA-N 0 0 225.251 2.780 50 0 BFAARN Cc1ccc(-c2nnc([C@@H]3CCOC3)o2)s1 ZINC000064556966 178341594 /nfs/dbraw/zinc/34/15/94/178341594.db2.gz MBOQMNJNWSXYGP-MRVPVSSYSA-N 0 0 236.296 2.610 50 0 BFAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000000396014 178342566 /nfs/dbraw/zinc/34/25/66/178342566.db2.gz MDGGRHZKMXXZRD-UHFFFAOYSA-N 0 0 227.311 2.980 50 0 BFAARN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1N ZINC000000333521 178348119 /nfs/dbraw/zinc/34/81/19/178348119.db2.gz WAZLPGOKBPVXOC-UHFFFAOYSA-N 0 0 215.300 2.688 50 0 BFAARN Cc1ccc(-c2csc3[nH]cnc(=O)c23)cc1 ZINC000013571275 178331963 /nfs/dbraw/zinc/33/19/63/178331963.db2.gz JYFIHIWXQSVJIL-UHFFFAOYSA-N 0 0 242.303 2.960 50 0 BFAARN Cc1ccc(/C=C/C(=O)O[C@H]2CCCCC2=O)o1 ZINC000003361879 178354903 /nfs/dbraw/zinc/35/49/03/178354903.db2.gz UFEPNFIFLMIIJK-XEHSLEBBSA-N 0 0 248.278 2.656 50 0 BFAARN Cc1ccc(C(=O)N(C)Cc2ccccc2)n1C ZINC000032836442 178377411 /nfs/dbraw/zinc/37/74/11/178377411.db2.gz JCDKDNBKDTUNMB-UHFFFAOYSA-N 0 0 242.322 2.606 50 0 BFAARN Cc1ccc(C(=O)N(Cc2ccco2)C2CC2)o1 ZINC000040497019 178382785 /nfs/dbraw/zinc/38/27/85/178382785.db2.gz JPQVBBATHLBYMG-UHFFFAOYSA-N 0 0 245.278 2.986 50 0 BFAARN Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000000209905 178384924 /nfs/dbraw/zinc/38/49/24/178384924.db2.gz JHOMIXKATLMPEJ-UHFFFAOYSA-N 0 0 203.285 2.621 50 0 BFAARN Cc1ccc(C(=O)N2CCCCCC2=O)cc1 ZINC000049032536 178386193 /nfs/dbraw/zinc/38/61/93/178386193.db2.gz LJYRKZNNJAVORV-UHFFFAOYSA-N 0 0 231.295 2.538 50 0 BFAARN Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000033019162 178399858 /nfs/dbraw/zinc/39/98/58/178399858.db2.gz YXGZIGDPZVGKST-BETUJISGSA-N 0 0 247.338 2.553 50 0 BFAARN C/C=C/C=C/C(=O)Nc1nc(C)c(C)s1 ZINC000036397436 398268470 /nfs/dbraw/zinc/26/84/70/398268470.db2.gz ZLKZTIHRZAKGRJ-YTXTXJHMSA-N 0 0 222.313 2.831 50 0 BFAARN Nc1cc(Cl)ccc1C(=O)[C@@H]1CCCOC1 ZINC000225020614 323009177 /nfs/dbraw/zinc/00/91/77/323009177.db2.gz VALKJXLEEVOACY-MRVPVSSYSA-N 0 0 239.702 2.532 50 0 BFAARN CC(C)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000040161770 259315824 /nfs/dbraw/zinc/31/58/24/259315824.db2.gz PWBAEYXSWMGOAU-UHFFFAOYSA-N 0 0 236.706 2.650 50 0 BFAARN CC(C)N(C(=O)C[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000040161817 259315846 /nfs/dbraw/zinc/31/58/46/259315846.db2.gz QBRDUHSIULJVAS-CYBMUJFWSA-N 0 0 240.391 2.506 50 0 BFAARN O=S(=O)(c1cccs1)c1ccccc1 ZINC000000115886 342675013 /nfs/dbraw/zinc/67/50/13/342675013.db2.gz SRWXKQSZSIGHCO-UHFFFAOYSA-N 0 0 224.306 2.581 50 0 BFAARN COC(=O)c1sc(-c2cccs2)cc1N ZINC000000116168 342675074 /nfs/dbraw/zinc/67/50/74/342675074.db2.gz CFHYAXQWEYGRTM-UHFFFAOYSA-N 0 0 239.321 2.845 50 0 BFAARN Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000000123066 342675732 /nfs/dbraw/zinc/67/57/32/342675732.db2.gz IRFCTHNJIWUUJZ-UHFFFAOYSA-N 0 0 212.252 2.521 50 0 BFAARN CCOc1ccc(C(=O)N[C@H](C)CC)cc1 ZINC000000124991 342675799 /nfs/dbraw/zinc/67/57/99/342675799.db2.gz LPVBWNAKEBOUAL-SNVBAGLBSA-N 0 0 221.300 2.614 50 0 BFAARN O=c1[nH]nc(-c2ccc(F)cc2)c2ccccc12 ZINC000000125923 342676001 /nfs/dbraw/zinc/67/60/01/342676001.db2.gz ZMXMVYKPVMNLOJ-UHFFFAOYSA-N 0 0 240.237 2.729 50 0 BFAARN Cc1cccc(NC2=NC[C@@H](C)S2)c1 ZINC000000134999 342676420 /nfs/dbraw/zinc/67/64/20/342676420.db2.gz NBNOKMADYAZRNP-SECBINFHSA-N 0 0 206.314 2.898 50 0 BFAARN Nc1ncc(Cc2ccccc2Cl)s1 ZINC000000137438 342676818 /nfs/dbraw/zinc/67/68/18/342676818.db2.gz AZSAJPPZQCIVPK-UHFFFAOYSA-N 0 0 224.716 2.970 50 0 BFAARN Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000152528 342677343 /nfs/dbraw/zinc/67/73/43/342677343.db2.gz CVDGBBCJEMBUAZ-UHFFFAOYSA-N 0 0 230.242 2.660 50 0 BFAARN Nc1cccc(OC(F)(F)C(F)F)c1 ZINC000000153616 342677411 /nfs/dbraw/zinc/67/74/11/342677411.db2.gz MWDPEBMCVXNSPL-UHFFFAOYSA-N 0 0 209.142 2.506 50 0 BFAARN CC(=O)COc1ccc(Cl)cc1Cl ZINC000000150743 342677470 /nfs/dbraw/zinc/67/74/70/342677470.db2.gz MQYQBKDURLWQTF-UHFFFAOYSA-N 0 0 219.067 2.961 50 0 BFAARN CC[C@]1(c2cccc(O)c2)CCCCN(C)C1=O ZINC000000158155 342677994 /nfs/dbraw/zinc/67/79/94/342677994.db2.gz YFSJZMANJNLCOQ-OAHLLOKOSA-N 0 0 247.338 2.682 50 0 in-vitro BFAARN Cn1nc(-c2ccccc2)c(C=O)c1Cl ZINC000000168325 342678945 /nfs/dbraw/zinc/67/89/45/342678945.db2.gz LIUUTPYWKXCVCS-UHFFFAOYSA-N 0 0 220.659 2.553 50 0 BFAARN CN(C)c1ccc(C(=O)c2ccccc2)cc1 ZINC000000173350 342679136 /nfs/dbraw/zinc/67/91/36/342679136.db2.gz BEUGBYXJXMVRFO-UHFFFAOYSA-N 0 0 225.291 2.984 50 0 BFAARN Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3O ZINC000000178917 342679362 /nfs/dbraw/zinc/67/93/62/342679362.db2.gz YYBPWZOWPCHCIR-GFCCVEGCSA-N 0 0 201.269 2.846 50 0 biogenic BFAARN CC[C@H](c1nnc(N)s1)c1ccccc1 ZINC000000184291 342679583 /nfs/dbraw/zinc/67/95/83/342679583.db2.gz OFIPFQODAWPXGD-VIFPVBQESA-N 0 0 219.313 2.662 50 0 BFAARN O=C(CN1CCCCC1)c1c[nH]c2ccccc12 ZINC000000217289 342680275 /nfs/dbraw/zinc/68/02/75/342680275.db2.gz CDRQAUBCVZVLOJ-UHFFFAOYSA-N 0 0 242.322 2.837 50 0 BFAARN Cc1ccc(NC(=O)c2ccc(N)cc2)cc1 ZINC000000225982 342680714 /nfs/dbraw/zinc/68/07/14/342680714.db2.gz AGXXZAVPKXLZKZ-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN CCOc1ccccc1NC(=O)c1cccnc1 ZINC000000247329 342681227 /nfs/dbraw/zinc/68/12/27/342681227.db2.gz YTOLOSJYDUIVIQ-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN CSc1nnc(-c2ccc(C)cc2)o1 ZINC000000272919 342681916 /nfs/dbraw/zinc/68/19/16/342681916.db2.gz QSCOVGMVQFLCGD-UHFFFAOYSA-N 0 0 206.270 2.767 50 0 BFAARN CC[C@@H](C)NC(=S)NC1CCCCC1 ZINC000000305240 342682746 /nfs/dbraw/zinc/68/27/46/342682746.db2.gz TXOOPHJITPWAFP-SECBINFHSA-N 0 0 214.378 2.582 50 0 BFAARN O=C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC000000322457 342683330 /nfs/dbraw/zinc/68/33/30/342683330.db2.gz ZNWLFTSPNBLXGL-UHFFFAOYSA-N 0 0 238.327 2.679 50 0 BFAARN O=[S@]1Oc2ccccc2-c2ccccc21 ZINC000000334889 342683813 /nfs/dbraw/zinc/68/38/13/342683813.db2.gz IYBLGEVIWORXGN-OAHLLOKOSA-N 0 0 216.261 2.769 50 0 BFAARN O=C1CCCCN1CCc1c[nH]c2ccccc12 ZINC000000343829 342684072 /nfs/dbraw/zinc/68/40/72/342684072.db2.gz MHDIVKHYLSDJNX-UHFFFAOYSA-N 0 0 242.322 2.723 50 0 BFAARN O=C(c1cccs1)n1cnc2ccccc21 ZINC000000340568 342684206 /nfs/dbraw/zinc/68/42/06/342684206.db2.gz VQKYXZHQQUSKDH-UHFFFAOYSA-N 0 0 228.276 2.786 50 0 BFAARN CCCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000000354424 342684659 /nfs/dbraw/zinc/68/46/59/342684659.db2.gz KJUCBOHGQYYIQU-UHFFFAOYSA-N 0 0 205.257 2.628 50 0 BFAARN COc1ccc([C@@H](C)NC(=O)c2ccco2)cc1 ZINC000000356935 342684697 /nfs/dbraw/zinc/68/46/97/342684697.db2.gz BTISTMQWAMMYFV-SNVBAGLBSA-N 0 0 245.278 2.779 50 0 BFAARN CCCC(=O)Nc1cccc(C(=O)OCC)c1 ZINC000000363977 342685177 /nfs/dbraw/zinc/68/51/77/342685177.db2.gz ISNIFNUDOSDFOY-UHFFFAOYSA-N 0 0 235.283 2.602 50 0 BFAARN CC(C)(C)NC(=O)Cc1c(F)cccc1Cl ZINC000000372199 342685452 /nfs/dbraw/zinc/68/54/52/342685452.db2.gz RWZCVQWGMURPCL-UHFFFAOYSA-N 0 0 243.709 2.936 50 0 BFAARN CC(C)C(NC(=O)c1ccco1)C(C)C ZINC000000382633 342685595 /nfs/dbraw/zinc/68/55/95/342685595.db2.gz GHOANAWZMXOPEY-UHFFFAOYSA-N 0 0 209.289 2.690 50 0 BFAARN CCOc1ccc(OCC)c(OCC)c1 ZINC000000394571 342686145 /nfs/dbraw/zinc/68/61/45/342686145.db2.gz MTXHYYFYFLXUEN-UHFFFAOYSA-N 0 0 210.273 2.883 50 0 BFAARN CCN(CC)C(=O)Nc1ccccc1OC ZINC000000396482 342686262 /nfs/dbraw/zinc/68/62/62/342686262.db2.gz RJMQNNGVHBGTDA-UHFFFAOYSA-N 0 0 222.288 2.569 50 0 BFAARN CN(Cn1nnc2ccccc21)c1ccccc1 ZINC000000403149 342686757 /nfs/dbraw/zinc/68/67/57/342686757.db2.gz VIBLZNXJYGXWHR-UHFFFAOYSA-N 0 0 238.294 2.525 50 0 BFAARN O=c1[nH]c2cc(Cl)c(Br)cc2o1 ZINC000000001052 342669512 /nfs/dbraw/zinc/66/95/12/342669512.db2.gz KVAWWXSLBDVXHJ-UHFFFAOYSA-N 0 0 248.463 2.537 50 0 in-man BFAARN CCOc1ccc(C=O)c(OCC)c1C ZINC000000056867 342671958 /nfs/dbraw/zinc/67/19/58/342671958.db2.gz NLDIABAZQRPFHD-UHFFFAOYSA-N 0 0 208.257 2.605 50 0 BFAARN O=c1c(Br)coc2ccccc21 ZINC000000057933 342672090 /nfs/dbraw/zinc/67/20/90/342672090.db2.gz IQIGYNPOESZBDJ-UHFFFAOYSA-N 0 0 225.041 2.556 50 0 BFAARN O=c1cc(C(F)(F)F)c2ccc(O)cc2o1 ZINC000000057916 342672150 /nfs/dbraw/zinc/67/21/50/342672150.db2.gz CCKWMCUOHJAVOL-UHFFFAOYSA-N 0 0 230.141 2.517 50 0 biogenic BFAARN Clc1cc(NC2CCCCC2)ncn1 ZINC000000551658 342690111 /nfs/dbraw/zinc/69/01/11/342690111.db2.gz LOQWQFMFWLXZIU-UHFFFAOYSA-N 0 0 211.696 2.875 50 0 BFAARN CCN(CC)C(=O)c1ccc(Cl)cc1 ZINC000000580879 342690697 /nfs/dbraw/zinc/69/06/97/342690697.db2.gz VQIFBGNOSBKNJI-UHFFFAOYSA-N 0 0 211.692 2.822 50 0 BFAARN CCOc1ccccc1C(=O)N[C@@H](C)CC ZINC000000972013 342695333 /nfs/dbraw/zinc/69/53/33/342695333.db2.gz ZZKWSCIRPRYHCE-JTQLQIEISA-N 0 0 221.300 2.614 50 0 BFAARN Cc1occc1C(=O)N[C@H](C)C(C)(C)C ZINC000001053607 342696546 /nfs/dbraw/zinc/69/65/46/342696546.db2.gz RGDQHHATFFDSSG-SECBINFHSA-N 0 0 209.289 2.752 50 0 BFAARN O=C1CSC(=O)N1Cc1ccc(Cl)cc1 ZINC000001115542 342697782 /nfs/dbraw/zinc/69/77/82/342697782.db2.gz SEARMTYHHPFOCL-UHFFFAOYSA-N 0 0 241.699 2.535 50 0 BFAARN CC(C)[C@H]1NC(=S)N=C2CCCCC21 ZINC000001321945 342699076 /nfs/dbraw/zinc/69/90/76/342699076.db2.gz HEGPWLIGDINTCM-SNVBAGLBSA-N 0 0 210.346 2.728 50 0 BFAARN O=C(c1cccs1)c1ccc2c(c1)OCCO2 ZINC000001443531 342701099 /nfs/dbraw/zinc/70/10/99/342701099.db2.gz RWMJTNHEMMKTRV-UHFFFAOYSA-N 0 0 246.287 2.750 50 0 BFAARN CCCCCOC(=O)c1ccc(O)cc1 ZINC000001568931 342703412 /nfs/dbraw/zinc/70/34/12/342703412.db2.gz ZNSSPLQZSUWFJT-UHFFFAOYSA-N 0 0 208.257 2.739 50 0 in-vitro BFAARN CCCCCCOC(=O)c1ccccn1 ZINC000001587737 342704673 /nfs/dbraw/zinc/70/46/73/342704673.db2.gz XNQFSCZLUXHABZ-UHFFFAOYSA-N 0 0 207.273 2.819 50 0 BFAARN Clc1ccc(OC[C@H]2CO2)c(Cl)c1 ZINC000001596389 342705186 /nfs/dbraw/zinc/70/51/86/342705186.db2.gz NTMMJCXPHYKNSP-SSDOTTSWSA-N 0 0 219.067 2.771 50 0 BFAARN O=C1CCc2c1cccc2Br ZINC000001623473 342706203 /nfs/dbraw/zinc/70/62/03/342706203.db2.gz UVVYFYLSZIMKMC-UHFFFAOYSA-N 0 0 211.058 2.578 50 0 BFAARN O=C(c1cc(F)c(F)c(F)c1)C(F)(F)F ZINC000002378574 342719250 /nfs/dbraw/zinc/71/92/50/342719250.db2.gz FUCOIMRDYLXIPA-UHFFFAOYSA-N 0 0 228.091 2.849 50 0 BFAARN CC(=O)CC(=O)Nc1cccc(Cl)c1C ZINC000001649126 342707020 /nfs/dbraw/zinc/70/70/20/342707020.db2.gz NBLAONBKZUTBFR-UHFFFAOYSA-N 0 0 225.675 2.566 50 0 BFAARN COc1ccc(C(=O)Cc2ccccn2)cc1 ZINC000001675475 342708184 /nfs/dbraw/zinc/70/81/84/342708184.db2.gz YDDIGUFGIDJEEM-UHFFFAOYSA-N 0 0 227.263 2.516 50 0 BFAARN CCCCCOC(=O)c1ccccc1O ZINC000001677092 342708385 /nfs/dbraw/zinc/70/83/85/342708385.db2.gz RANVDUNFZBMTBK-UHFFFAOYSA-N 0 0 208.257 2.739 50 0 endogenous,in-man BFAARN O=C(c1ccco1)c1ccc(Cl)nc1 ZINC000002392761 342720037 /nfs/dbraw/zinc/72/00/37/342720037.db2.gz WDQAGVRTKLSCKJ-UHFFFAOYSA-N 0 0 207.616 2.559 50 0 BFAARN Nc1cccc(OCCc2ccccc2)c1 ZINC000001749516 342712094 /nfs/dbraw/zinc/71/20/94/342712094.db2.gz ATANNAJKSFDCGR-UHFFFAOYSA-N 0 0 213.280 2.890 50 0 BFAARN CCCc1nc(CN2CCSCC2)cs1 ZINC000047993548 342712345 /nfs/dbraw/zinc/71/23/45/342712345.db2.gz IEPIPDMDXYZAIG-UHFFFAOYSA-N 0 0 242.413 2.644 50 0 BFAARN CCCCCCN1c2ccccc2C(=O)C1=O ZINC000001781476 342712511 /nfs/dbraw/zinc/71/25/11/342712511.db2.gz MPJSZKJLVPUZQF-UHFFFAOYSA-N 0 0 231.295 2.796 50 0 BFAARN CC[C@@H](NC(=O)N1CCCC1)c1cc(C)ccn1 ZINC000584903221 342713634 /nfs/dbraw/zinc/71/36/34/342713634.db2.gz ZUYAQYBSZSCELW-GFCCVEGCSA-N 0 0 247.342 2.647 50 0 BFAARN COc1cccc2c1ncn(C1CCCC1)c2=O ZINC000584902164 342714016 /nfs/dbraw/zinc/71/40/16/342714016.db2.gz DBKLEFPCZCRBPV-UHFFFAOYSA-N 0 0 244.294 2.520 50 0 BFAARN CCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)OC ZINC000002077814 342715767 /nfs/dbraw/zinc/71/57/67/342715767.db2.gz KVWWIYGFBYDJQC-MNOVXSKESA-N 0 0 226.316 2.725 50 0 biogenic,in-vitro BFAARN O=C(Oc1ccccc1)c1ccc(O)cc1 ZINC000002146854 342716339 /nfs/dbraw/zinc/71/63/39/342716339.db2.gz GJLNWLVPAHNBQN-UHFFFAOYSA-N 0 0 214.220 2.611 50 0 BFAARN CC(C)[C@@H]1C[C@@H](C)CC[C@H]1O[C@H]1C=CC(=O)O1 ZINC000004114339 342742717 /nfs/dbraw/zinc/74/27/17/342742717.db2.gz CLAZQKKQQKBAAC-CIQGVGRVSA-N 0 0 238.327 2.903 50 0 BFAARN Cc1csc(NC(=O)C[C@@H]2C=CCC2)n1 ZINC000010554954 342743403 /nfs/dbraw/zinc/74/34/03/342743403.db2.gz AYNLGJUYYGNMHR-SECBINFHSA-N 0 0 222.313 2.746 50 0 BFAARN Clc1ccc(Cl)c(OC[C@@H]2CO2)c1 ZINC000004200168 342743633 /nfs/dbraw/zinc/74/36/33/342743633.db2.gz BKYYOPSMOZNITO-ZETCQYMHSA-N 0 0 219.067 2.771 50 0 BFAARN CC(C)(C)OC(=O)N[C@H]1CNc2ccccc2C1 ZINC000004202329 342743683 /nfs/dbraw/zinc/74/36/83/342743683.db2.gz GAURNOYXRZQBNV-LLVKDONJSA-N 0 0 248.326 2.548 50 0 in-vitro BFAARN O=C1CCc2c(Br)cccc2C1 ZINC000004202742 342744021 /nfs/dbraw/zinc/74/40/21/342744021.db2.gz DDVQSZNNPLLKCW-UHFFFAOYSA-N 0 0 225.085 2.507 50 0 BFAARN Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000004218906 342744619 /nfs/dbraw/zinc/74/46/19/342744619.db2.gz CQQNWCGDXGYYLR-UHFFFAOYSA-N 0 0 241.216 2.532 50 0 BFAARN Fc1ccc(CNc2ccccn2)cc1 ZINC000004501579 342748317 /nfs/dbraw/zinc/74/83/17/342748317.db2.gz PZILXGBGUICZBR-UHFFFAOYSA-N 0 0 202.232 2.833 50 0 BFAARN CC(C)c1nnc2sc(-c3ccco3)nn21 ZINC000002437048 342720817 /nfs/dbraw/zinc/72/08/17/342720817.db2.gz QXDFMCYDGZTZHC-UHFFFAOYSA-N 0 0 234.284 2.569 50 0 BFAARN Clc1cc(Cl)cc([C@@H]2C[NH2+]CCO2)c1 ZINC000002513059 342721750 /nfs/dbraw/zinc/72/17/50/342721750.db2.gz FLCUDNDPRMIYHA-JTQLQIEISA-N 0 0 232.110 2.654 50 0 BFAARN O=C(c1cccc(CN2CCC2)c1)C1CCC1 ZINC000002515149 342721983 /nfs/dbraw/zinc/72/19/83/342721983.db2.gz KJUDTFTWGIOMSK-UHFFFAOYSA-N 0 0 229.323 2.875 50 0 BFAARN COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000002516065 342722279 /nfs/dbraw/zinc/72/22/79/342722279.db2.gz SCHCPDWDIOTCMJ-ZCFIWIBFSA-N 0 0 249.093 2.934 50 0 BFAARN CC(C)(C)c1cc2nc(C(C)(C)C)cc(N)n2n1 ZINC000002523008 342722440 /nfs/dbraw/zinc/72/24/40/342722440.db2.gz SAUFGSXNXZLMQE-UHFFFAOYSA-N 0 0 246.358 2.907 50 0 BFAARN Clc1ncc(Cc2ccccc2)cn1 ZINC000002523034 342722517 /nfs/dbraw/zinc/72/25/17/342722517.db2.gz LWKOTZUAHATCNT-UHFFFAOYSA-N 0 0 204.660 2.721 50 0 BFAARN NNc1c(F)cc(C(F)(F)F)cc1Cl ZINC000002540188 342723558 /nfs/dbraw/zinc/72/35/58/342723558.db2.gz LDEAIXDNMCHKOF-UHFFFAOYSA-N 0 0 228.576 2.784 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc(CCO)cc1 ZINC000002541622 342723621 /nfs/dbraw/zinc/72/36/21/342723621.db2.gz LVAACBVNZRPHFE-UHFFFAOYSA-N 0 0 237.299 2.568 50 0 BFAARN Cc1c[nH]c(C(=O)OCc2ccccc2)c1C ZINC000002571626 342724931 /nfs/dbraw/zinc/72/49/31/342724931.db2.gz JVVPVNRWUFOIEO-UHFFFAOYSA-N 0 0 229.279 2.989 50 0 BFAARN CC(=O)Oc1cccc(C(F)(F)F)c1 ZINC000002575715 342725178 /nfs/dbraw/zinc/72/51/78/342725178.db2.gz CBAIJJMMUDSHOD-UHFFFAOYSA-N 0 0 204.147 2.631 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc(F)c(N)c1 ZINC000002599341 342726080 /nfs/dbraw/zinc/72/60/80/342726080.db2.gz VWFNJRUKTFGZJN-UHFFFAOYSA-N 0 0 226.251 2.755 50 0 BFAARN Cc1ccc([C@H](NC=O)c2ccccc2)cc1 ZINC000002656183 342726465 /nfs/dbraw/zinc/72/64/65/342726465.db2.gz WFSHCSTTWSATIF-OAHLLOKOSA-N 0 0 225.291 2.830 50 0 BFAARN CCCC(=O)NCCCc1ccccc1 ZINC000002878623 342727613 /nfs/dbraw/zinc/72/76/13/342727613.db2.gz ZNMHLJZBKJKDON-UHFFFAOYSA-N 0 0 205.301 2.536 50 0 BFAARN CC(C)(C)C(=O)NCCCc1ccccc1 ZINC000002878350 342727624 /nfs/dbraw/zinc/72/76/24/342727624.db2.gz PRLMMNSGUKMDDE-UHFFFAOYSA-N 0 0 219.328 2.782 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)nc2)o1 ZINC000032898796 178430223 /nfs/dbraw/zinc/43/02/23/178430223.db2.gz RHHLZCSLLGTNMG-LLVKDONJSA-N 0 0 244.294 2.782 50 0 BFAARN Cc1csc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000004611213 342749622 /nfs/dbraw/zinc/74/96/22/342749622.db2.gz TWKOKBQQEGAVOJ-AEJSXWLSSA-N 0 0 236.340 2.826 50 0 BFAARN CC(C)(C)NC(=O)c1cccc(Cl)c1 ZINC000003093851 342730250 /nfs/dbraw/zinc/73/02/50/342730250.db2.gz NASSRHLMVPZMFV-UHFFFAOYSA-N 0 0 211.692 2.868 50 0 BFAARN COc1cc(C)nn1-c1ccc(Cl)cc1 ZINC000003186090 342731450 /nfs/dbraw/zinc/73/14/50/342731450.db2.gz CPUIYWMFPWOIAQ-UHFFFAOYSA-N 0 0 222.675 2.843 50 0 BFAARN Nc1ccccc1NCCc1ccccc1 ZINC000003184956 342731496 /nfs/dbraw/zinc/73/14/96/342731496.db2.gz UMCDLQOIKZOKNA-UHFFFAOYSA-N 0 0 212.296 2.923 50 0 BFAARN CN(C)c1ccc(C(=O)NC2CCCCC2)cc1 ZINC000003323605 342732418 /nfs/dbraw/zinc/73/24/18/342732418.db2.gz YIBSFBLGHNJWSU-UHFFFAOYSA-N 0 0 246.354 2.815 50 0 BFAARN CC(C)c1[nH]nc(-c2ccccc2)c1N ZINC000034789052 342732478 /nfs/dbraw/zinc/73/24/78/342732478.db2.gz UBVXACHVXZUGEA-UHFFFAOYSA-N 0 0 201.273 2.782 50 0 BFAARN Cc1ccc(F)cc1NC(=O)c1ccncc1 ZINC000003333419 342732677 /nfs/dbraw/zinc/73/26/77/342732677.db2.gz CUFWRVYZYQAQCS-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000003604862 342735034 /nfs/dbraw/zinc/73/50/34/342735034.db2.gz BSJGXTNBRNVOQK-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN CCCc1cc(C(=O)Nc2cccc(O)c2)no1 ZINC000003908970 342739675 /nfs/dbraw/zinc/73/96/75/342739675.db2.gz LQTQZMUAZDLQMD-UHFFFAOYSA-N 0 0 246.266 2.585 50 0 BFAARN C[C@@]1(C(=O)Nc2cccnc2)CC1(Cl)Cl ZINC000004757524 342751832 /nfs/dbraw/zinc/75/18/32/342751832.db2.gz NNXSQUVAQRKHBN-VIFPVBQESA-N 0 0 245.109 2.604 50 0 BFAARN Fc1ccc2[nH]c3c(nc[nH]c3=S)c2c1 ZINC000004785749 342752087 /nfs/dbraw/zinc/75/20/87/342752087.db2.gz RVGBEEFPDGYBBH-UHFFFAOYSA-N 0 0 219.244 2.539 50 0 BFAARN Cc1ccc(NC(=O)c2cccnc2)cc1F ZINC000004820396 342752674 /nfs/dbraw/zinc/75/26/74/342752674.db2.gz GEUSEDAJCPFTHO-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN Cc1c(C)c(N2CCCC2)ccc1C=O ZINC000004973733 342755359 /nfs/dbraw/zinc/75/53/59/342755359.db2.gz RVRPZWHGMAXUAB-UHFFFAOYSA-N 0 0 203.285 2.716 50 0 BFAARN COc1cc(C[N@@H+]2CCC[C@@H](C)C2)ccc1O ZINC000004989087 342755613 /nfs/dbraw/zinc/75/56/13/342755613.db2.gz GMBHVGBXIAAQIC-LLVKDONJSA-N 0 0 235.327 2.633 50 0 BFAARN CCCc1c(C)nc(SCC(C)C)[nH]c1=O ZINC000004997560 342756294 /nfs/dbraw/zinc/75/62/94/342756294.db2.gz LFZREOGFCVDZDL-UHFFFAOYSA-N 0 0 240.372 2.779 50 0 BFAARN CC(C)c1ccccc1NC(=O)[C@H]1CCCO1 ZINC000005384807 342763127 /nfs/dbraw/zinc/76/31/27/342763127.db2.gz MCYFYOCUNCVYQJ-CYBMUJFWSA-N 0 0 233.311 2.928 50 0 BFAARN CCOC(=O)CSCCC(F)=C(F)F ZINC000005472926 342764435 /nfs/dbraw/zinc/76/44/35/342764435.db2.gz OTBIVHKZGRXXQW-UHFFFAOYSA-N 0 0 228.235 2.750 50 0 BFAARN CC[C@@H](C)Oc1c(C=O)cccc1OC ZINC000005655289 342767831 /nfs/dbraw/zinc/76/78/31/342767831.db2.gz FHALBHJLYWQNFN-SECBINFHSA-N 0 0 208.257 2.685 50 0 BFAARN CCc1nc(SCc2ccccc2C)n[nH]1 ZINC000005686704 342768514 /nfs/dbraw/zinc/76/85/14/342768514.db2.gz RTFJSUMCGCABKG-UHFFFAOYSA-N 0 0 233.340 2.968 50 0 BFAARN CC(C)(C)C(=O)Nc1ccc(Cl)cn1 ZINC000005726574 342768785 /nfs/dbraw/zinc/76/87/85/342768785.db2.gz AURRUSCTIJAPQH-UHFFFAOYSA-N 0 0 212.680 2.720 50 0 BFAARN Cn1c(Cc2ccc(Cl)cc2)n[nH]c1=S ZINC000005730873 342769240 /nfs/dbraw/zinc/76/92/40/342769240.db2.gz BSSOKTNUYBQAIX-UHFFFAOYSA-N 0 0 239.731 2.722 50 0 BFAARN Clc1ncnc2[nH]c3ccccc3c21 ZINC000005777024 342769831 /nfs/dbraw/zinc/76/98/31/342769831.db2.gz ZCYULQVZSXKVFP-UHFFFAOYSA-N 0 0 203.632 2.765 50 0 BFAARN FC(F)Oc1ccc(C2N=NC(=S)O2)cc1 ZINC000006049398 342773147 /nfs/dbraw/zinc/77/31/47/342773147.db2.gz ODVVHDDSXRZOLV-UHFFFAOYSA-N 0 0 244.222 2.627 50 0 BFAARN CCN(C(=O)CC(F)(F)F)c1ccccc1 ZINC000043073308 342773522 /nfs/dbraw/zinc/77/35/22/342773522.db2.gz SMQMAUBNRVLYJG-UHFFFAOYSA-N 0 0 231.217 2.992 50 0 BFAARN O=C(c1ccc(F)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000006093173 342773563 /nfs/dbraw/zinc/77/35/63/342773563.db2.gz VGZHWXAFILGMSR-ZDUSSCGKSA-N 0 0 248.228 2.881 50 0 BFAARN CN(c1ncc(C=O)s1)C1CCCCC1 ZINC000006145125 342774419 /nfs/dbraw/zinc/77/44/19/342774419.db2.gz UGXAMPILUZIDDT-UHFFFAOYSA-N 0 0 224.329 2.725 50 0 BFAARN CC(C)=CNC(=O)Nc1ccc2c(c1)OCCO2 ZINC000006262265 342775705 /nfs/dbraw/zinc/77/57/05/342775705.db2.gz GSCUJZHPUXPLIA-UHFFFAOYSA-N 0 0 248.282 2.503 50 0 BFAARN Cc1cnccc1NC(=O)c1cccs1 ZINC000004740978 342751359 /nfs/dbraw/zinc/75/13/59/342751359.db2.gz FSOZFNZCNXKUIT-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN F[C@H](OC(F)(F)F)C(F)(F)Br ZINC000008698310 342802200 /nfs/dbraw/zinc/80/22/00/342802200.db2.gz PJLXAVKTUMSCKH-PVQJCKRUSA-N 0 0 246.932 2.806 50 0 BFAARN Clc1ncnc2c3ccccc3[nH]c21 ZINC000006536280 342779206 /nfs/dbraw/zinc/77/92/06/342779206.db2.gz RDAAOOPSZHGKFQ-UHFFFAOYSA-N 0 0 203.632 2.765 50 0 BFAARN CCN(CC)C(=O)N1c2ccccc2C[C@H]1C ZINC000006702196 342781103 /nfs/dbraw/zinc/78/11/03/342781103.db2.gz PLGKQPHLXCSJRY-LLVKDONJSA-N 0 0 232.327 2.899 50 0 BFAARN COC(=O)N[C@H](C)c1ccc(C)cc1C ZINC000006699206 342781186 /nfs/dbraw/zinc/78/11/86/342781186.db2.gz ICOKXSITCOTQLM-SNVBAGLBSA-N 0 0 207.273 2.720 50 0 BFAARN O=C(c1cc[nH]c1)c1ccc(Cl)cc1 ZINC000006745415 342781987 /nfs/dbraw/zinc/78/19/87/342781987.db2.gz AHSLXEUIQZMKFA-UHFFFAOYSA-N 0 0 205.644 2.899 50 0 BFAARN CCCCC(=O)Nc1ccc2c(c1)OCO2 ZINC000004652586 342789059 /nfs/dbraw/zinc/78/90/59/342789059.db2.gz HFDVEXUOPOQEQF-UHFFFAOYSA-N 0 0 221.256 2.544 50 0 BFAARN Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000002772834 342793293 /nfs/dbraw/zinc/79/32/93/342793293.db2.gz CKXXJTFRQDBQJU-AAEUAGOBSA-N 0 0 248.326 2.684 50 0 BFAARN Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCCO2)cc1 ZINC000002772833 342793375 /nfs/dbraw/zinc/79/33/75/342793375.db2.gz CKXXJTFRQDBQJU-DGCLKSJQSA-N 0 0 248.326 2.684 50 0 BFAARN CC(C)C(=O)Nc1nnc(CC(C)(C)C)s1 ZINC000002789435 342793473 /nfs/dbraw/zinc/79/34/73/342793473.db2.gz AXRPVMAALDZFOL-UHFFFAOYSA-N 0 0 241.360 2.721 50 0 BFAARN CC[C@@H]1CCCN(Cc2nc(C3CC3)no2)C1 ZINC000048058164 342794037 /nfs/dbraw/zinc/79/40/37/342794037.db2.gz CCMCNCZGQNJIEK-SNVBAGLBSA-N 0 0 235.331 2.569 50 0 BFAARN CCCC(=O)Nc1nnc(-c2ccccc2)s1 ZINC000003016551 342798698 /nfs/dbraw/zinc/79/86/98/342798698.db2.gz JKBHLSUUDWFAMX-UHFFFAOYSA-N 0 0 247.323 2.944 50 0 BFAARN CCc1ccc(C(=O)Nc2ccccn2)cc1 ZINC000008382515 342798760 /nfs/dbraw/zinc/79/87/60/342798760.db2.gz HVNPSCBEYZUXQO-UHFFFAOYSA-N 0 0 226.279 2.896 50 0 BFAARN Cc1c(N)cccc1NC(=O)c1cccs1 ZINC000008907300 342805818 /nfs/dbraw/zinc/80/58/18/342805818.db2.gz DQOSFBGXRJYTGL-UHFFFAOYSA-N 0 0 232.308 2.891 50 0 BFAARN O=c1[nH]c(-c2ccsc2)nc2ccccc21 ZINC000009791105 342827778 /nfs/dbraw/zinc/82/77/78/342827778.db2.gz WQPHUKPKGIBCBO-UHFFFAOYSA-N 0 0 228.276 2.652 50 0 BFAARN C=C(C)[C@H]1CCC(CCl)=C1C(=O)OC ZINC000045071509 538990792 /nfs/dbraw/zinc/99/07/92/538990792.db2.gz POQVWGLSTNEFES-SECBINFHSA-N 0 0 214.692 2.681 50 0 BFAARN C=CCOC(=O)/C=C(/C#N)Sc1ccccc1 ZINC000043762785 538983516 /nfs/dbraw/zinc/98/35/16/538983516.db2.gz OSIRKWRSXMJASV-XFXZXTDPSA-N 0 0 245.303 2.915 50 0 BFAARN c1ccc(Cc2noc(C3CCOCC3)n2)cc1 ZINC000109490142 398296060 /nfs/dbraw/zinc/29/60/60/398296060.db2.gz YRRQTUMUHGGZMY-UHFFFAOYSA-N 0 0 244.294 2.554 50 0 BFAARN Cc1cc(=O)c2cc(OC(F)(F)F)ccc2[nH]1 ZINC000011731152 342842825 /nfs/dbraw/zinc/84/28/25/342842825.db2.gz VDICCNPFZUKSOM-UHFFFAOYSA-N 0 0 243.184 2.735 50 0 BFAARN O=c1cnc(-c2cc(Cl)cc(Cl)c2)c[nH]1 ZINC000389605723 539016691 /nfs/dbraw/zinc/01/66/91/539016691.db2.gz XYVGSOZDBAZUSK-UHFFFAOYSA-N 0 0 241.077 2.744 50 0 BFAARN Cc1ccc([C@H](O)C(F)(F)F)c(C)c1 ZINC000042268317 361976626 /nfs/dbraw/zinc/97/66/26/361976626.db2.gz JRWQOLMAHKQNNF-VIFPVBQESA-N 0 0 204.191 2.899 50 0 BFAARN Nc1cc(Oc2ncccn2)c(Cl)cc1F ZINC000012336327 342849227 /nfs/dbraw/zinc/84/92/27/342849227.db2.gz KQXSKQIBNOCQGQ-UHFFFAOYSA-N 0 0 239.637 2.644 50 0 BFAARN Clc1cccc2[nH]nc(Br)c21 ZINC000012336539 342849298 /nfs/dbraw/zinc/84/92/98/342849298.db2.gz KQVVWXSIPZGIAN-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Cc1c(Cl)cc2[nH]c(=O)oc2c1Cl ZINC000012372427 342850424 /nfs/dbraw/zinc/85/04/24/342850424.db2.gz YKXMZAWXKYITGP-UHFFFAOYSA-N 0 0 218.039 2.736 50 0 BFAARN Cc1c2c(nn1C)nc(Cl)cc2C(F)F ZINC000012398312 342851350 /nfs/dbraw/zinc/85/13/50/342851350.db2.gz DGAGYZJWBWJKKL-UHFFFAOYSA-N 0 0 231.633 2.868 50 0 BFAARN Cc1cccc(-c2nnc3n2C[C@@H](C)S3)c1 ZINC000012462878 342852577 /nfs/dbraw/zinc/85/25/77/342852577.db2.gz AHIWYANKMBHXFW-SECBINFHSA-N 0 0 231.324 2.748 50 0 BFAARN Nc1c(-c2ccc(F)cc2)nc2sccn12 ZINC000012504743 342852773 /nfs/dbraw/zinc/85/27/73/342852773.db2.gz RDRJUNSDLSDECI-UHFFFAOYSA-N 0 0 233.271 2.784 50 0 BFAARN Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC000012505777 342852946 /nfs/dbraw/zinc/85/29/46/342852946.db2.gz IEFGHTJWHNRADZ-UHFFFAOYSA-N 0 0 226.251 2.594 50 0 BFAARN Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000012505580 342852962 /nfs/dbraw/zinc/85/29/62/342852962.db2.gz QVHQVFPXAKZMKQ-UHFFFAOYSA-N 0 0 225.597 2.863 50 0 BFAARN Nc1ccccc1N1CCc2ccccc21 ZINC000012540134 342854015 /nfs/dbraw/zinc/85/40/15/342854015.db2.gz FTCUPLCIWYYZLT-UHFFFAOYSA-N 0 0 210.280 2.963 50 0 BFAARN CC(C)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000012982569 342862372 /nfs/dbraw/zinc/86/23/72/342862372.db2.gz ZPCYTWDWJTTYLP-ZDUSSCGKSA-N 0 0 233.311 2.928 50 0 BFAARN CC[C@@H](C)C(=O)N[C@@H]1CCc2ccccc21 ZINC000012983960 342862380 /nfs/dbraw/zinc/86/23/80/342862380.db2.gz VZVVFOHUCRWRDO-ZWNOBZJWSA-N 0 0 217.312 2.836 50 0 BFAARN O=[S@@]1Oc2ccccc2-c2ccccc21 ZINC000013111867 342863774 /nfs/dbraw/zinc/86/37/74/342863774.db2.gz IYBLGEVIWORXGN-HNNXBMFYSA-N 0 0 216.261 2.769 50 0 BFAARN CCc1ccc(C(=O)N[C@@H](C)c2ccccn2)o1 ZINC000032824608 342878580 /nfs/dbraw/zinc/87/85/80/342878580.db2.gz JKAUBFWNOLLIJG-JTQLQIEISA-N 0 0 244.294 2.728 50 0 BFAARN O=C(c1ccncc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000032819477 342879143 /nfs/dbraw/zinc/87/91/43/342879143.db2.gz ZPNWDGQIKSHZCH-JSGCOSHPSA-N 0 0 244.338 2.876 50 0 BFAARN O=C(CCc1ccsc1)Nc1ccncc1 ZINC000032725993 342870182 /nfs/dbraw/zinc/87/01/82/342870182.db2.gz UXRHVOQYJGHYBQ-UHFFFAOYSA-N 0 0 232.308 2.714 50 0 BFAARN Cc1cccc(CNC(=O)Cc2ccccc2)c1 ZINC000013675839 342870406 /nfs/dbraw/zinc/87/04/06/342870406.db2.gz MPQFJPHYPMFDBS-UHFFFAOYSA-N 0 0 239.318 2.854 50 0 BFAARN CCc1cc(C(=O)Nc2ccon2)cs1 ZINC000013745836 342871173 /nfs/dbraw/zinc/87/11/73/342871173.db2.gz HBTPQZRBADFAKG-UHFFFAOYSA-N 0 0 222.269 2.551 50 0 BFAARN CN(C)c1cc(Cl)nc(-c2ccccc2)n1 ZINC000014007497 342875628 /nfs/dbraw/zinc/87/56/28/342875628.db2.gz RWXVEFVRLTUGHU-UHFFFAOYSA-N 0 0 233.702 2.863 50 0 BFAARN Cc1ccc(C(N)=O)cc1NC[C@@H]1CC=CCC1 ZINC000125166927 178457604 /nfs/dbraw/zinc/45/76/04/178457604.db2.gz GLTNFVWASJPUSF-GFCCVEGCSA-N 0 0 244.338 2.862 50 0 BFAARN COC(=O)Nc1ccc(-c2cnc(C)o2)cc1 ZINC000015415805 342896181 /nfs/dbraw/zinc/89/61/81/342896181.db2.gz AHPDQGPQAQVPBV-UHFFFAOYSA-N 0 0 232.239 2.828 50 0 BFAARN CSCCCNC(=O)c1ccc(C)cc1C ZINC000096412069 398317792 /nfs/dbraw/zinc/31/77/92/398317792.db2.gz FBNBXBAMNUUVFC-UHFFFAOYSA-N 0 0 237.368 2.786 50 0 BFAARN CC(C)(C)SCC(=O)NC(C1CC1)C1CC1 ZINC000032904233 342899297 /nfs/dbraw/zinc/89/92/97/342899297.db2.gz WOLNSODMPBTFQX-UHFFFAOYSA-N 0 0 241.400 2.823 50 0 BFAARN Nc1cc(F)ccc1OCC1CCCC1 ZINC000014629818 342882876 /nfs/dbraw/zinc/88/28/76/342882876.db2.gz IBXHMAVPOSJRER-UHFFFAOYSA-N 0 0 209.264 2.977 50 0 BFAARN Cc1cc(N)n(-c2ccc3ccccc3c2)n1 ZINC000003175968 398321015 /nfs/dbraw/zinc/32/10/15/398321015.db2.gz VHIBLPZLWCHLHH-UHFFFAOYSA-N 0 0 223.279 2.916 50 0 BFAARN Fc1cc2[nH]nc(Br)c2c(F)c1 ZINC000014983970 342890128 /nfs/dbraw/zinc/89/01/28/342890128.db2.gz OMGZJDWENSGDAU-UHFFFAOYSA-N 0 0 233.015 2.604 50 0 BFAARN O=C(c1cccc(Cl)c1)c1ccccn1 ZINC000014987912 342890347 /nfs/dbraw/zinc/89/03/47/342890347.db2.gz DTEIFMBOVCPJGY-UHFFFAOYSA-N 0 0 217.655 2.966 50 0 BFAARN Cc1scc(C(=O)NCc2cccnc2)c1C ZINC000016603448 342913420 /nfs/dbraw/zinc/91/34/20/342913420.db2.gz UPUNWABRUNOGBY-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN CCCCC(=O)Nc1ccc2nsnc2c1 ZINC000017083477 342920285 /nfs/dbraw/zinc/92/02/85/342920285.db2.gz XYGHFJSZGKSZAR-UHFFFAOYSA-N 0 0 235.312 2.820 50 0 biogenic BFAARN CC(C)[C@H]1C[C@H](C)CC[C@@H]1O[C@H]1C=CC(=O)O1 ZINC000017111917 342920807 /nfs/dbraw/zinc/92/08/07/342920807.db2.gz CLAZQKKQQKBAAC-NRWUCQMLSA-N 0 0 238.327 2.903 50 0 BFAARN Cc1cnc(NC(=O)C[C@@H]2C=CCC2)s1 ZINC000010624701 342930315 /nfs/dbraw/zinc/93/03/15/342930315.db2.gz JLVRWWIILDGSET-SECBINFHSA-N 0 0 222.313 2.746 50 0 BFAARN O=C(c1ccoc1)N1CCC2(CC2(F)F)CC1 ZINC000650601397 398330331 /nfs/dbraw/zinc/33/03/31/398330331.db2.gz LUASDMCSCAYUJZ-UHFFFAOYSA-N 0 0 241.237 2.541 50 0 BFAARN CCCCNC(=O)c1cccc(OCC)c1 ZINC000010471977 398331183 /nfs/dbraw/zinc/33/11/83/398331183.db2.gz UFSLOMOWVCOQMM-UHFFFAOYSA-N 0 0 221.300 2.615 50 0 BFAARN Nc1cccnc1Oc1cccc(F)c1 ZINC000019255979 342944492 /nfs/dbraw/zinc/94/44/92/342944492.db2.gz DBGSVVMZJJADHR-UHFFFAOYSA-N 0 0 204.204 2.595 50 0 BFAARN COc1cc2ccn(C(=O)OC(C)(C)C)c2cn1 ZINC000307559378 398343321 /nfs/dbraw/zinc/34/33/21/398343321.db2.gz PPXVLCXIWGHXOY-UHFFFAOYSA-N 0 0 248.282 2.828 50 0 BFAARN CC[C@]1(O)c2ccccc2-c2ncccc21 ZINC000000499673 346898570 /nfs/dbraw/zinc/89/85/70/346898570.db2.gz ZGZXMNRYVIGLJN-AWEZNQCLSA-N 0 0 211.264 2.708 50 0 BFAARN Cc1ccc(N)c(OCC(F)(F)F)c1 ZINC000019502654 342950098 /nfs/dbraw/zinc/95/00/98/342950098.db2.gz YSVIJBXNRJVSBO-UHFFFAOYSA-N 0 0 205.179 2.518 50 0 BFAARN Cc1ccc(N)cc1NC(=O)c1ccc(F)cc1 ZINC000019736057 342955301 /nfs/dbraw/zinc/95/53/01/342955301.db2.gz LMXURQNMOUKLHM-UHFFFAOYSA-N 0 0 244.269 2.969 50 0 BFAARN Cc1c(N)cccc1NC(=O)c1ccccc1F ZINC000019736325 342955418 /nfs/dbraw/zinc/95/54/18/342955418.db2.gz GAPCBACGRDUQIT-UHFFFAOYSA-N 0 0 244.269 2.969 50 0 BFAARN CC[C@@H](C)Nc1ccc(OC)cc1OC ZINC000019903475 342962420 /nfs/dbraw/zinc/96/24/20/342962420.db2.gz QGOHFKDBVLSCRH-SECBINFHSA-N 0 0 209.289 2.914 50 0 BFAARN Nc1ccc2c(c1)nc(CO)n2C1CCCCC1 ZINC000019894366 342961741 /nfs/dbraw/zinc/96/17/41/342961741.db2.gz LNXBDHBMFQHJCU-UHFFFAOYSA-N 0 0 245.326 2.616 50 0 BFAARN Cc1c(N)cccc1C(=O)Nc1ccccc1 ZINC000020194486 342975877 /nfs/dbraw/zinc/97/58/77/342975877.db2.gz FNQCVQGZMCIKOL-UHFFFAOYSA-N 0 0 226.279 2.830 50 0 BFAARN O=C(CCn1cccn1)Nc1cccc(Cl)c1 ZINC000020602891 342992370 /nfs/dbraw/zinc/99/23/70/342992370.db2.gz GAPPWMTVXUVZGA-UHFFFAOYSA-N 0 0 249.701 2.565 50 0 BFAARN Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1 ZINC000020344186 342982366 /nfs/dbraw/zinc/98/23/66/342982366.db2.gz OXNMMVMUUDIASW-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN Cc1cc(C(=O)N2CCCCCC2)c(C)o1 ZINC000020344804 342982847 /nfs/dbraw/zinc/98/28/47/342982847.db2.gz BJDDMQYXICYOEJ-UHFFFAOYSA-N 0 0 221.300 2.913 50 0 BFAARN O=C1N=NCc2cc(Br)ccc21 ZINC000021302901 343009313 /nfs/dbraw/zinc/00/93/13/343009313.db2.gz OCPFOIJXWGPQTJ-UHFFFAOYSA-N 0 0 225.045 2.555 50 0 BFAARN CSc1nnc(COc2cccc(C)c2)o1 ZINC000020760064 342994502 /nfs/dbraw/zinc/99/45/02/342994502.db2.gz ARCHPXCCGPQDIU-UHFFFAOYSA-N 0 0 236.296 2.679 50 0 BFAARN CC(C)c1noc(-c2cccnc2Cl)n1 ZINC000022120316 343040373 /nfs/dbraw/zinc/04/03/73/343040373.db2.gz CUNQIIZIGUKISX-UHFFFAOYSA-N 0 0 223.663 2.908 50 0 BFAARN CC(C)c1noc(-c2ccnc(Cl)c2)n1 ZINC000022120483 343040395 /nfs/dbraw/zinc/04/03/95/343040395.db2.gz SBGXCOJNIXTIHE-UHFFFAOYSA-N 0 0 223.663 2.908 50 0 BFAARN CCCCOc1ccc(O)c(F)c1F ZINC000021985198 343032053 /nfs/dbraw/zinc/03/20/53/343032053.db2.gz HQFTTYLLNVHBGT-UHFFFAOYSA-N 0 0 202.200 2.849 50 0 BFAARN CC(C)n1cnc2c1nc(Cl)nc2Cl ZINC000022057015 343037500 /nfs/dbraw/zinc/03/75/00/343037500.db2.gz GKEFDRUWUYSFGW-UHFFFAOYSA-N 0 0 231.086 2.714 50 0 in-vitro BFAARN Cc1ccoc1C(=O)NCCc1cccs1 ZINC000022505220 343050330 /nfs/dbraw/zinc/05/03/30/343050330.db2.gz YXSBDAYTRNJEHR-UHFFFAOYSA-N 0 0 235.308 2.622 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000023465093 343064989 /nfs/dbraw/zinc/06/49/89/343064989.db2.gz WGTXCCJXKVQVAM-LLVKDONJSA-N 0 0 247.342 2.666 50 0 BFAARN Cc1ccccc1CNC(=O)c1ccc(O)cc1 ZINC000023641095 343066284 /nfs/dbraw/zinc/06/62/84/343066284.db2.gz ZPOXSOUJFMNNKQ-UHFFFAOYSA-N 0 0 241.290 2.631 50 0 BFAARN Cc1ccc(NC(=O)N[C@H](C)C2CC2)cc1 ZINC000023990205 343068265 /nfs/dbraw/zinc/06/82/65/343068265.db2.gz UUAMFQYJHNXPCL-SNVBAGLBSA-N 0 0 218.300 2.915 50 0 BFAARN Cc1ccc(NC(=O)CCc2ccco2)c(O)c1 ZINC000024882412 343079009 /nfs/dbraw/zinc/07/90/09/343079009.db2.gz QXVHYTKPLIJNPN-UHFFFAOYSA-N 0 0 245.278 2.865 50 0 BFAARN CCNC(=O)N[C@@](C)(CC)c1ccccc1 ZINC000072271559 343118426 /nfs/dbraw/zinc/11/84/26/343118426.db2.gz CSUHBLJJJOVLPJ-ZDUSSCGKSA-N 0 0 220.316 2.631 50 0 BFAARN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCCO2)c1 ZINC000006731444 178495051 /nfs/dbraw/zinc/49/50/51/178495051.db2.gz JPYRABQDGGGWPQ-OCCSQVGLSA-N 0 0 247.338 2.660 50 0 BFAARN CN(CCCCO)C(=O)CCC1CCCCC1 ZINC000170607658 136270239 /nfs/dbraw/zinc/27/02/39/136270239.db2.gz MIUWBXHVPDXVAW-UHFFFAOYSA-N 0 0 241.375 2.578 50 0 BFAARN Nc1ncc(Br)c2ccccc12 ZINC000029753879 343146826 /nfs/dbraw/zinc/14/68/26/343146826.db2.gz YWOLBIUYICZCLK-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN COC(OC)c1ccc(F)c(Br)c1 ZINC000028278275 343127911 /nfs/dbraw/zinc/12/79/11/343127911.db2.gz BYQHKXISZJLWJG-UHFFFAOYSA-N 0 0 249.079 2.880 50 0 BFAARN Cc1nc(C)c(C(=O)NCc2ccccc2)s1 ZINC000000068913 343138919 /nfs/dbraw/zinc/13/89/19/343138919.db2.gz FXFUXZVNPRJEHK-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN O=C(c1ccncc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000032819478 343141830 /nfs/dbraw/zinc/14/18/30/343141830.db2.gz ZPNWDGQIKSHZCH-OCCSQVGLSA-N 0 0 244.338 2.876 50 0 BFAARN O=C(Sc1ncccn1)c1ccc(F)cc1 ZINC000003076116 343213472 /nfs/dbraw/zinc/21/34/72/343213472.db2.gz YCZHHEPMRHPSBK-UHFFFAOYSA-N 0 0 234.255 2.548 50 0 BFAARN COc1cc(-c2c(C)cc(C)cc2C)nc(N)n1 ZINC000032576252 343237944 /nfs/dbraw/zinc/23/79/44/343237944.db2.gz RVQMOTHXAWDCCR-UHFFFAOYSA-N 0 0 243.310 2.660 50 0 BFAARN O=C(c1cc2cc(F)ccc2[nH]1)N1CCCCC1 ZINC000032755156 343241602 /nfs/dbraw/zinc/24/16/02/343241602.db2.gz QEIBTJGNNKBDER-UHFFFAOYSA-N 0 0 246.285 2.933 50 0 BFAARN CC[C@H]1CCCCN1C(=O)c1occc1C ZINC000032784517 343242895 /nfs/dbraw/zinc/24/28/95/343242895.db2.gz SEHIARKQLQDCGT-NSHDSACASA-N 0 0 221.300 2.993 50 0 BFAARN CC(C)N(C[C@H]1C[C@H]1C)C(=O)Nc1cccnc1 ZINC000072304746 343244709 /nfs/dbraw/zinc/24/47/09/343244709.db2.gz XTCZSNUMKVPPMI-VXGBXAGGSA-N 0 0 247.342 2.980 50 0 BFAARN COC(=O)Cc1cc(Cl)ccc1Cl ZINC000034068657 343263804 /nfs/dbraw/zinc/26/38/04/343263804.db2.gz VOIWSHPZFSPALW-UHFFFAOYSA-N 0 0 219.067 2.709 50 0 BFAARN Nc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000034142288 343265732 /nfs/dbraw/zinc/26/57/32/343265732.db2.gz DHBQQUHYERQIMY-UHFFFAOYSA-N 0 0 211.133 2.923 50 0 BFAARN CCN1c2ccc(O)c3cccc(c23)C1=O ZINC000000127447 343268998 /nfs/dbraw/zinc/26/89/98/343268998.db2.gz WTFNNSZHHCZXDS-UHFFFAOYSA-N 0 0 213.236 2.526 50 0 BFAARN Cc1nc(N)sc1C(=O)Nc1ccc(C)cc1 ZINC000000535638 343269904 /nfs/dbraw/zinc/26/99/04/343269904.db2.gz PYCNZJBDNFCOFZ-UHFFFAOYSA-N 0 0 247.323 2.594 50 0 BFAARN CN1c2ccccc2N(C)C1c1cccc(O)c1 ZINC000000431953 343269934 /nfs/dbraw/zinc/26/99/34/343269934.db2.gz SRJWSSXDLWHBGX-UHFFFAOYSA-N 0 0 240.306 2.977 50 0 BFAARN COc1cc(Br)ccc1C(C)=O ZINC000034409270 343270363 /nfs/dbraw/zinc/27/03/63/343270363.db2.gz KYZHKXMHJFOQPM-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN CCC1(CC)C(=O)NC(=O)N=C1SC(C)C ZINC000022205373 343272436 /nfs/dbraw/zinc/27/24/36/343272436.db2.gz OMYIKDYLEWCSCX-UHFFFAOYSA-N 0 0 242.344 2.583 50 0 BFAARN O=c1cc(-c2ccco2)nc(-c2ccco2)o1 ZINC000022241931 343272585 /nfs/dbraw/zinc/27/25/85/343272585.db2.gz PRXYUSHWJZSSNB-UHFFFAOYSA-N 0 0 229.191 2.555 50 0 BFAARN CC[C@@H](C)NC(=O)Nc1ccccc1C ZINC000003958906 343272968 /nfs/dbraw/zinc/27/29/68/343272968.db2.gz QRBSOKSITOQKTD-SNVBAGLBSA-N 0 0 206.289 2.915 50 0 BFAARN Nc1c(F)cccc1OCc1ccccc1 ZINC000034498176 343273553 /nfs/dbraw/zinc/27/35/53/343273553.db2.gz KWHIMHCTOQZTDC-UHFFFAOYSA-N 0 0 217.243 2.987 50 0 BFAARN Fc1ccc(-c2noc(-c3ccccn3)n2)cc1 ZINC000006702038 343273856 /nfs/dbraw/zinc/27/38/56/343273856.db2.gz AYXIXOBNGCRBGS-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN CC1(O)c2ccccc2OCOc2ccccc21 ZINC000023549969 343274943 /nfs/dbraw/zinc/27/49/43/343274943.db2.gz KFYAJJZQOYFSEQ-UHFFFAOYSA-N 0 0 242.274 2.671 50 0 BFAARN O=C(Nc1ccccc1)N1CCCCCC1=O ZINC000034624081 343276286 /nfs/dbraw/zinc/27/62/86/343276286.db2.gz KRMWJYDLDZJRNK-UHFFFAOYSA-N 0 0 232.283 2.621 50 0 BFAARN Cc1ccc2nn(C)cc2c1Br ZINC000036533447 343319865 /nfs/dbraw/zinc/31/98/65/343319865.db2.gz QHLAFXZSLHLHOT-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Nc1nc(-c2ccc(C(F)(F)F)cc2)ns1 ZINC000036753316 343323300 /nfs/dbraw/zinc/32/33/00/343323300.db2.gz WHZCFYQQFJYQDI-UHFFFAOYSA-N 0 0 245.229 2.806 50 0 BFAARN Cn1cc(C=O)c(-c2ccccc2Cl)n1 ZINC000036894415 343326757 /nfs/dbraw/zinc/32/67/57/343326757.db2.gz RIASWQQOKKVJJH-UHFFFAOYSA-N 0 0 220.659 2.553 50 0 in-vitro BFAARN Cn1c2ccccc2nc1-c1cccc(O)c1 ZINC000036896069 343326785 /nfs/dbraw/zinc/32/67/85/343326785.db2.gz ZOCKAMAEAGBODC-UHFFFAOYSA-N 0 0 224.263 2.946 50 0 BFAARN Cc1nc2c(cnn2C(C)(C)C)c(Cl)n1 ZINC000036928365 343328107 /nfs/dbraw/zinc/32/81/07/343328107.db2.gz KDEXLYBQKVAZMI-UHFFFAOYSA-N 0 0 224.695 2.543 50 0 BFAARN CC(C)(C)C(=O)Nc1ccc(C=O)nc1Cl ZINC000035270458 343291267 /nfs/dbraw/zinc/29/12/67/343291267.db2.gz LZRCTDNVNSXRKD-UHFFFAOYSA-N 0 0 240.690 2.532 50 0 BFAARN Clc1nccc2[nH]cc(Br)c21 ZINC000035270083 343291272 /nfs/dbraw/zinc/29/12/72/343291272.db2.gz FZERBVKCXSYQLC-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Nc1cc(C(F)(F)F)n(C2CCCC2)n1 ZINC000035655652 343301152 /nfs/dbraw/zinc/30/11/52/343301152.db2.gz TZNBNFYHFXTGOC-UHFFFAOYSA-N 0 0 219.210 2.599 50 0 BFAARN Cc1cc(Br)nc(C(C)C)n1 ZINC000035663842 343301880 /nfs/dbraw/zinc/30/18/80/343301880.db2.gz JKOMARLDXIBDQB-UHFFFAOYSA-N 0 0 215.094 2.671 50 0 BFAARN CC[N@H+](Cc1ccc(C(=O)[O-])cc1)C(C)C ZINC000037082506 343333218 /nfs/dbraw/zinc/33/32/18/343333218.db2.gz RJWDFEXHPVZCTG-UHFFFAOYSA-N 0 0 221.300 2.615 50 0 BFAARN Cc1sc(N)nc1Cc1ccccc1 ZINC000036379490 343316916 /nfs/dbraw/zinc/31/69/16/343316916.db2.gz OXDAWEKPJGMVRB-UHFFFAOYSA-N 0 0 204.298 2.625 50 0 BFAARN CCCCCC[C@@H](C)NC(=O)NC1CC1 ZINC000071795978 343373358 /nfs/dbraw/zinc/37/33/58/343373358.db2.gz NYVZIXMRFYPVCH-SNVBAGLBSA-N 0 0 212.337 2.807 50 0 BFAARN Nc1nccc2scc(Br)c21 ZINC000038540282 343376874 /nfs/dbraw/zinc/37/68/74/343376874.db2.gz NRVPVUKWJYSNTO-UHFFFAOYSA-N 0 0 229.102 2.641 50 0 BFAARN CC(C)c1cc(N)n(Cc2ccccc2)n1 ZINC000037291302 343343208 /nfs/dbraw/zinc/34/32/08/343343208.db2.gz NKFGUVGGLFKUIE-UHFFFAOYSA-N 0 0 215.300 2.637 50 0 BFAARN C[NH+](C)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000037425146 343345596 /nfs/dbraw/zinc/34/55/96/343345596.db2.gz FBZPIHFBJZHLPX-VIFPVBQESA-N 0 0 248.109 2.681 50 0 biogenic BFAARN CCCn1ccnc1-c1cccc(N)c1 ZINC000037471398 343346282 /nfs/dbraw/zinc/34/62/82/343346282.db2.gz BHTVWAQWMJILRC-UHFFFAOYSA-N 0 0 201.273 2.542 50 0 BFAARN CC1(C)CO[C@@H](c2ccccc2Cl)NC1=O ZINC000071779193 343352679 /nfs/dbraw/zinc/35/26/79/343352679.db2.gz XZSJAVPWRQZGGZ-JTQLQIEISA-N 0 0 239.702 2.511 50 0 BFAARN Cc1ccc(CC(=O)NCc2ccco2)c(C)c1 ZINC000072437106 178520424 /nfs/dbraw/zinc/52/04/24/178520424.db2.gz DPQOVJQYVUQSJX-UHFFFAOYSA-N 0 0 243.306 2.755 50 0 BFAARN Cc1ccc(CC(=O)NCc2ccco2)cc1C ZINC000016652322 178520534 /nfs/dbraw/zinc/52/05/34/178520534.db2.gz MXUAYSNPPCKGHI-UHFFFAOYSA-N 0 0 243.306 2.755 50 0 BFAARN CCOc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000013326427 346935086 /nfs/dbraw/zinc/93/50/86/346935086.db2.gz QBARECPEBXJSAF-JOYOIKCWSA-N 0 0 219.284 2.680 50 0 BFAARN O=C1COc2cc(OCc3ccccc3)ccc21 ZINC000039121457 343385818 /nfs/dbraw/zinc/38/58/18/343385818.db2.gz BJHOIWIKUDSVQJ-UHFFFAOYSA-N 0 0 240.258 2.841 50 0 BFAARN Nc1c(Cl)cccc1Br ZINC000039222353 343387259 /nfs/dbraw/zinc/38/72/59/343387259.db2.gz BIMSFWCFKDVSNO-UHFFFAOYSA-N 0 0 206.470 2.685 50 0 BFAARN Clc1cc(N2CCc3ccccc32)ncn1 ZINC000040422360 343402606 /nfs/dbraw/zinc/40/26/06/343402606.db2.gz RSEMHHFXNIKRQH-UHFFFAOYSA-N 0 0 231.686 2.824 50 0 BFAARN Nc1noc2cccc(OCc3ccccc3)c12 ZINC000040449380 343404231 /nfs/dbraw/zinc/40/42/31/343404231.db2.gz QAKSEPTVKXBHOB-UHFFFAOYSA-N 0 0 240.262 2.989 50 0 BFAARN CC(C)(C)C(=O)NCCc1ccc(F)cc1 ZINC000040457424 343404677 /nfs/dbraw/zinc/40/46/77/343404677.db2.gz AYTNRRZQSXHSAH-UHFFFAOYSA-N 0 0 223.291 2.531 50 0 BFAARN Cc1ccc(CC(=O)n2cc(Cl)cn2)cc1 ZINC000006726395 178524414 /nfs/dbraw/zinc/52/44/14/178524414.db2.gz QIYSIHUKRFQDMO-UHFFFAOYSA-N 0 0 234.686 2.728 50 0 BFAARN CC(C)(C)CNc1ccc(C(N)=O)c(Cl)c1 ZINC000041051350 343413860 /nfs/dbraw/zinc/41/38/60/343413860.db2.gz HVMABOGZTVOOOX-UHFFFAOYSA-N 0 0 240.734 2.897 50 0 BFAARN Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000042372848 343435867 /nfs/dbraw/zinc/43/58/67/343435867.db2.gz ZCCRONCNAAMYNN-MRXNPFEDSA-N 0 0 231.320 2.577 50 0 BFAARN O=C1CCc2c1cc(Br)cc2F ZINC000042405049 343436218 /nfs/dbraw/zinc/43/62/18/343436218.db2.gz FVPXVDTWEBFLLE-UHFFFAOYSA-N 0 0 229.048 2.717 50 0 BFAARN Clc1cc(Br)nc2[nH]ccc21 ZINC000042689472 343447745 /nfs/dbraw/zinc/44/77/45/343447745.db2.gz OVLYMSBXUYTCSP-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Clc1cccc(NCc2ccccn2)n1 ZINC000042784040 343453411 /nfs/dbraw/zinc/45/34/11/343453411.db2.gz RFEOADLVLYALOV-UHFFFAOYSA-N 0 0 219.675 2.742 50 0 BFAARN CSc1ccc(N)cc1Br ZINC000043597914 343478589 /nfs/dbraw/zinc/47/85/89/343478589.db2.gz FBYKGRIMIDNBJS-UHFFFAOYSA-N 0 0 218.119 2.753 50 0 BFAARN Cc1nc(Cl)cc(-c2cccnc2)n1 ZINC000044119147 343492154 /nfs/dbraw/zinc/49/21/54/343492154.db2.gz JWXDWMPUBMFQNP-UHFFFAOYSA-N 0 0 205.648 2.500 50 0 BFAARN Fc1ccc(-c2nsc(Cl)n2)cc1 ZINC000043220551 343466334 /nfs/dbraw/zinc/46/63/34/343466334.db2.gz QVRAGNQDINFGNY-UHFFFAOYSA-N 0 0 214.652 2.998 50 0 BFAARN Clc1nccc2c(Br)c[nH]c21 ZINC000044713178 343512854 /nfs/dbraw/zinc/51/28/54/343512854.db2.gz OIJZBNOCPJWYJU-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Cc1ccc(C(=O)c2cccc(F)c2)nc1 ZINC000045028535 343521422 /nfs/dbraw/zinc/52/14/22/343521422.db2.gz FEWYFLHTULRWTL-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN Cc1ccsc1CN(C)C(=O)c1ccccn1 ZINC000047531779 343563115 /nfs/dbraw/zinc/56/31/15/343563115.db2.gz OLGGZPMZDCWZDB-UHFFFAOYSA-N 0 0 246.335 2.724 50 0 BFAARN Cc1nc(CSc2ncccc2Cl)no1 ZINC000048331588 343578193 /nfs/dbraw/zinc/57/81/93/343578193.db2.gz HJLWCPIIKLUOHL-UHFFFAOYSA-N 0 0 241.703 2.719 50 0 BFAARN CCCCNC(=O)C=C(C1CC1)C1CC1 ZINC000084744529 488225466 /nfs/dbraw/zinc/22/54/66/488225466.db2.gz PCFXDOQJYPAUNK-UHFFFAOYSA-N 0 0 207.317 2.649 50 0 BFAARN CCCCN(CC)C(=O)c1n[nH]c2ccccc21 ZINC000033028700 343612120 /nfs/dbraw/zinc/61/21/20/343612120.db2.gz BQFCETIALLDMDT-UHFFFAOYSA-N 0 0 245.326 2.825 50 0 BFAARN CN(c1ccnc(Cl)n1)C1CCCCC1 ZINC000051849287 343629168 /nfs/dbraw/zinc/62/91/68/343629168.db2.gz QEKXXATTXLFRKY-UHFFFAOYSA-N 0 0 225.723 2.899 50 0 BFAARN CCCc1nc(CN(CC)Cc2ccoc2)no1 ZINC000055166469 343665832 /nfs/dbraw/zinc/66/58/32/343665832.db2.gz KIUKOBSUYBLFLP-UHFFFAOYSA-N 0 0 249.314 2.637 50 0 BFAARN Cc1cc(C(=O)NC[C@@H](C)c2ccccc2)no1 ZINC000043700906 343708475 /nfs/dbraw/zinc/70/84/75/343708475.db2.gz CGLKDCAKPXKWQC-SNVBAGLBSA-N 0 0 244.294 2.517 50 0 BFAARN O=C(CC[C@@H]1CCCC1=O)c1ccccc1O ZINC000000519253 346963182 /nfs/dbraw/zinc/96/31/82/346963182.db2.gz MAZMUXBBTPTKSB-JTQLQIEISA-N 0 0 232.279 2.724 50 0 biogenic BFAARN CC(C)CCn1ccc(N[C@H]2CCSC2)n1 ZINC000096494914 343753332 /nfs/dbraw/zinc/75/33/32/343753332.db2.gz CADKJTJCPGGBEI-NSHDSACASA-N 0 0 239.388 2.847 50 0 BFAARN Cc1ccc(C)c(NC(=O)CCn2ccnc2)c1 ZINC000021916661 343778181 /nfs/dbraw/zinc/77/81/81/343778181.db2.gz CSMXEMJETUDFJF-UHFFFAOYSA-N 0 0 243.310 2.529 50 0 BFAARN CCCC[C@@H]1CCC[N@@H+]1Cc1ccc(CO)o1 ZINC000065508739 343788954 /nfs/dbraw/zinc/78/89/54/343788954.db2.gz YIBCFNLRWRRYLY-GFCCVEGCSA-N 0 0 237.343 2.927 50 0 BFAARN CCOc1ccc2[nH]c3c(ncnc3OC)c2c1 ZINC000000537350 346988695 /nfs/dbraw/zinc/98/86/95/346988695.db2.gz CILWPNJQTDSJQR-UHFFFAOYSA-N 0 0 243.266 2.518 50 0 BFAARN CCC[C@@H]1CCC(O)=C(C(=O)C(C)C)C1 ZINC000112750721 537822148 /nfs/dbraw/zinc/82/21/48/537822148.db2.gz JZHIEWWMIAUPCM-GHMZBOCLSA-N 0 0 210.317 2.997 50 0 BFAARN CC(=O)c1c(C)nn(Cc2ccccc2)c1C ZINC000022015794 343878766 /nfs/dbraw/zinc/87/87/66/343878766.db2.gz JPCBXDCAJZFPMF-UHFFFAOYSA-N 0 0 228.295 2.751 50 0 BFAARN Cc1c(N[C@@H](C)c2ccsc2)cnn1C ZINC000095991769 343884362 /nfs/dbraw/zinc/88/43/62/343884362.db2.gz NLGZQSXYSCYNND-QMMMGPOBSA-N 0 0 221.329 2.963 50 0 BFAARN CCCCSc1ncc(-c2ncc[nH]2)cn1 ZINC000067820051 343905993 /nfs/dbraw/zinc/90/59/93/343905993.db2.gz RIFRRINYVORYSW-UHFFFAOYSA-N 0 0 234.328 2.759 50 0 BFAARN Cc1ccc(F)cc1NC(=O)c1ccoc1 ZINC000016205939 343906706 /nfs/dbraw/zinc/90/67/06/343906706.db2.gz CTNRIFPUXGLQFW-UHFFFAOYSA-N 0 0 219.215 2.979 50 0 BFAARN Fc1ccc(-c2cnc([C@@H]3CCC[NH2+]3)o2)cc1 ZINC000036162574 343967833 /nfs/dbraw/zinc/96/78/33/343967833.db2.gz SGIBHGOHBSAYQQ-NSHDSACASA-N 0 0 232.258 2.905 50 0 BFAARN Cc1cc(N)cc(Br)c1C ZINC000078921628 344103820 /nfs/dbraw/zinc/10/38/20/344103820.db2.gz HSBYBGRURGCYRB-UHFFFAOYSA-N 0 0 200.079 2.648 50 0 BFAARN Cc1ccc(NC(=O)C2=COCCC2)c(F)c1 ZINC000058311989 344121119 /nfs/dbraw/zinc/12/11/19/344121119.db2.gz BSQSMZSYNYYDFP-UHFFFAOYSA-N 0 0 235.258 2.767 50 0 BFAARN COc1ccc2ncc(Cl)nc2c1Cl ZINC000034416542 344141129 /nfs/dbraw/zinc/14/11/29/344141129.db2.gz MAYRPLDCTXPBCL-UHFFFAOYSA-N 0 0 229.066 2.945 50 0 BFAARN CCCCCCS[C@H]1C=CS(=O)(=O)C1 ZINC000004772737 344210783 /nfs/dbraw/zinc/21/07/83/344210783.db2.gz HUQJUQVTBCVIHN-JTQLQIEISA-N 0 0 234.386 2.611 50 0 BFAARN Cc1noc(C)c1C[S@@](=O)c1ccoc1C ZINC000189608354 347035087 /nfs/dbraw/zinc/03/50/87/347035087.db2.gz XMNKRZBDGMDVNB-MRXNPFEDSA-N 0 0 239.296 2.501 50 0 BFAARN COc1ccc(C)c(F)c1Br ZINC000088388337 344239770 /nfs/dbraw/zinc/23/97/70/344239770.db2.gz AJYCVXNAWRBTCZ-UHFFFAOYSA-N 0 0 219.053 2.905 50 0 BFAARN c1csc(-c2nc(-c3ccncc3)no2)c1 ZINC000000078560 344241499 /nfs/dbraw/zinc/24/14/99/344241499.db2.gz WCXPLOTWKLFABR-UHFFFAOYSA-N 0 0 229.264 2.860 50 0 BFAARN Cc1csc(CN(C)Cc2cncs2)n1 ZINC000093336239 344313963 /nfs/dbraw/zinc/31/39/63/344313963.db2.gz RJMYVGOQLGMYAZ-UHFFFAOYSA-N 0 0 239.369 2.540 50 0 BFAARN CCc1nc(C)c(CNc2nccc(C)n2)s1 ZINC000095365523 344335136 /nfs/dbraw/zinc/33/51/36/344335136.db2.gz OSKXXGHPGCCBED-UHFFFAOYSA-N 0 0 248.355 2.724 50 0 BFAARN Cc1nc(SCc2ccc(C)cc2)n[nH]1 ZINC000011658289 344403121 /nfs/dbraw/zinc/40/31/21/344403121.db2.gz MNTIRDRLFJKQHT-UHFFFAOYSA-N 0 0 219.313 2.714 50 0 BFAARN CC(C)(C)OC(=O)N1CCCCC[C@]1(C)CO ZINC000258170659 344468713 /nfs/dbraw/zinc/46/87/13/344468713.db2.gz GLEHTXHMBFXNPN-CYBMUJFWSA-N 0 0 243.347 2.549 50 0 BFAARN c1nnc2c3c4c(sc3ncn12)CCCCC4 ZINC000000126583 344558570 /nfs/dbraw/zinc/55/85/70/344558570.db2.gz OAHHGZDYXATDKX-UHFFFAOYSA-N 0 0 244.323 2.608 50 0 BFAARN Cc1ccc(F)cc1NC(=O)NCC1CC1 ZINC000040525982 178689843 /nfs/dbraw/zinc/68/98/43/178689843.db2.gz WUJUYIUFPTWPFX-UHFFFAOYSA-N 0 0 222.263 2.666 50 0 BFAARN Cc1ccc(F)cc1Nc1ncnc2n[nH]cc21 ZINC000041121181 178692525 /nfs/dbraw/zinc/69/25/25/178692525.db2.gz OMEJGNJJIABQKK-UHFFFAOYSA-N 0 0 243.245 2.544 50 0 BFAARN CCc1nc(C)c(C(=O)NC(C)(C)C)s1 ZINC000050256410 344662531 /nfs/dbraw/zinc/66/25/31/344662531.db2.gz AOQXVBOGULCAFX-UHFFFAOYSA-N 0 0 226.345 2.542 50 0 BFAARN Cc1ccc(I)cc1F ZINC000000409272 178693950 /nfs/dbraw/zinc/69/39/50/178693950.db2.gz QZLWTFTXGKKCHZ-UHFFFAOYSA-N 0 0 236.027 2.739 50 0 BFAARN O=c1cccc(-c2ccc(-c3cn[nH]c3)cc2)[nH]1 ZINC000426548547 344751416 /nfs/dbraw/zinc/75/14/16/344751416.db2.gz QVBPLGBQLVUXJQ-UHFFFAOYSA-N 0 0 237.262 2.844 50 0 BFAARN Cc1oncc1C(=O)Nc1ccc(C)c(C)c1 ZINC000000384937 344739717 /nfs/dbraw/zinc/73/97/17/344739717.db2.gz CLAYBNFINVADCZ-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN O=C1CCC[C@@]2(CCCc3ccccc32)N1 ZINC000000385839 344740490 /nfs/dbraw/zinc/74/04/90/344740490.db2.gz ZKNJKXDHKLONEP-CQSZACIVSA-N 0 0 215.296 2.518 50 0 BFAARN CCC[C@H]1C[C@H](c2csc(N)n2)CCO1 ZINC000000330305 344702454 /nfs/dbraw/zinc/70/24/54/344702454.db2.gz SIINGJBLYGBGDL-BDAKNGLRSA-N 0 0 226.345 2.788 50 0 BFAARN Cc1occc1-c1nc(-c2cccnc2)no1 ZINC000000341367 344709507 /nfs/dbraw/zinc/70/95/07/344709507.db2.gz WLGDBGWOBCRXEI-UHFFFAOYSA-N 0 0 227.223 2.700 50 0 BFAARN Cc1ccc(NC(=O)[C@@H]2CCCO2)c(Cl)c1 ZINC000005937629 178742663 /nfs/dbraw/zinc/74/26/63/178742663.db2.gz UUOQHUPITZBUOD-NSHDSACASA-N 0 0 239.702 2.766 50 0 BFAARN Cc1ccc(NC(=O)c2ccco2)c(F)c1 ZINC000010109637 178753462 /nfs/dbraw/zinc/75/34/62/178753462.db2.gz UPBRUTARAQCDMJ-UHFFFAOYSA-N 0 0 219.215 2.979 50 0 BFAARN Cc1ccc(NC(=O)[C@H]2C[C@H]2C)c(F)c1 ZINC000032960649 178750370 /nfs/dbraw/zinc/75/03/70/178750370.db2.gz UVQQBXXBCAUDRX-BDAKNGLRSA-N 0 0 207.248 2.729 50 0 BFAARN CC[C@@H](C)NC(=O)c1cc2sccc2n1C ZINC000004971123 344873960 /nfs/dbraw/zinc/87/39/60/344873960.db2.gz INXXOLQONCYCHT-MRVPVSSYSA-N 0 0 236.340 2.768 50 0 BFAARN Cc1cccc(CSc2nnc([C@H](C)N)o2)c1 ZINC000005071475 344931068 /nfs/dbraw/zinc/93/10/68/344931068.db2.gz PDQRHQPIUSTEBT-VIFPVBQESA-N 0 0 249.339 2.690 50 0 BFAARN COc1ccccc1NC(=O)CCn1cccc1 ZINC000005151161 344978958 /nfs/dbraw/zinc/97/89/58/344978958.db2.gz YATVWJSQIUSUOQ-UHFFFAOYSA-N 0 0 244.294 2.526 50 0 BFAARN Cc1ccc(O)c(NC(=O)CC(C)C)c1 ZINC000000383548 178800441 /nfs/dbraw/zinc/80/04/41/178800441.db2.gz DCRZDUUASIXQMJ-UHFFFAOYSA-N 0 0 207.273 2.685 50 0 BFAARN CCc1cc(O)c(F)cc1Br ZINC000146138668 345073454 /nfs/dbraw/zinc/07/34/54/345073454.db2.gz AGPCZZAYJRAENV-UHFFFAOYSA-N 0 0 219.053 2.856 50 0 BFAARN Cc1ccc(O[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000042139877 178818822 /nfs/dbraw/zinc/81/88/22/178818822.db2.gz MSTBSJANDBNNFZ-LLVKDONJSA-N 0 0 235.327 2.677 50 0 BFAARN Cc1nn(C)cc1C(=O)Nc1ccc(C)c(C)c1 ZINC000012015687 345112387 /nfs/dbraw/zinc/11/23/87/345112387.db2.gz CCAIDCIZRSQMQJ-UHFFFAOYSA-N 0 0 243.310 2.598 50 0 BFAARN Cc1ccc(O)c(CCc2ccc(O)cc2)n1 ZINC000000186296 345437325 /nfs/dbraw/zinc/43/73/25/345437325.db2.gz OQSFPJGKCRSQOW-UHFFFAOYSA-N 0 0 229.279 2.586 50 0 biogenic BFAARN Cc1cc(C)n(C[C@H](O)c2ccc(C)cc2)n1 ZINC000005416547 178867496 /nfs/dbraw/zinc/86/74/96/178867496.db2.gz WRDRQGLYQLIQST-AWEZNQCLSA-N 0 0 230.311 2.542 50 0 BFAARN Cc1ccc([C@H](C)NC(=S)NC2CC2)c(C)c1 ZINC000016973597 178888081 /nfs/dbraw/zinc/88/80/81/178888081.db2.gz VIBCSQPCAVUSMQ-NSHDSACASA-N 0 0 248.395 2.991 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCO2)c(C)c1 ZINC000001002254 178886786 /nfs/dbraw/zinc/88/67/86/178886786.db2.gz SYHZQNBMJCXCSO-GXTWGEPZSA-N 0 0 247.338 2.660 50 0 BFAARN CC[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccco1 ZINC000095458658 345686156 /nfs/dbraw/zinc/68/61/56/345686156.db2.gz DAVSFYDXHIPHPF-GHMZBOCLSA-N 0 0 236.315 2.752 50 0 BFAARN CC[C@@H]1CC[C@H](C)N1C(=O)NCc1ccco1 ZINC000095458656 345686296 /nfs/dbraw/zinc/68/62/96/345686296.db2.gz DAVSFYDXHIPHPF-WDEREUQCSA-N 0 0 236.315 2.752 50 0 BFAARN c1cnc(N2CCSC3(CCCCC3)C2)cn1 ZINC000095964260 345686905 /nfs/dbraw/zinc/68/69/05/345686905.db2.gz NLAUJKBWUYZJOS-UHFFFAOYSA-N 0 0 249.383 2.733 50 0 BFAARN c1csc([C@@H]2CCCN(c3ccccn3)C2)n1 ZINC000095994702 345686917 /nfs/dbraw/zinc/68/69/17/345686917.db2.gz BGHNURZVSPHZHT-LLVKDONJSA-N 0 0 245.351 2.922 50 0 BFAARN CCCc1noc(-c2ccccc2C)n1 ZINC000000430453 345694320 /nfs/dbraw/zinc/69/43/20/345694320.db2.gz XFVMVSNUGSOVQX-UHFFFAOYSA-N 0 0 202.257 2.998 50 0 BFAARN Cc1occc1[S@](=O)CCc1ccccc1 ZINC000189610197 345828149 /nfs/dbraw/zinc/82/81/49/345828149.db2.gz PYSFZGSYFSBZEX-MRXNPFEDSA-N 0 0 234.320 2.938 50 0 BFAARN Cc1cnc(CNC(=O)c2cccc(C)c2C)o1 ZINC000080950525 345899910 /nfs/dbraw/zinc/89/99/10/345899910.db2.gz RWZYPOCVABJURW-UHFFFAOYSA-N 0 0 244.294 2.530 50 0 BFAARN CC(C)(C)c1nn[nH]c1CNc1ccccc1 ZINC000005250000 345953653 /nfs/dbraw/zinc/95/36/53/345953653.db2.gz GFHPLOYCQDBLGT-UHFFFAOYSA-N 0 0 230.315 2.714 50 0 BFAARN Cc1ccsc1C(=O)N[C@H](C)c1ccncc1 ZINC000005226724 345938973 /nfs/dbraw/zinc/93/89/73/345938973.db2.gz PFQFSFADMSWUGO-SNVBAGLBSA-N 0 0 246.335 2.943 50 0 BFAARN Cc1cccc([S@](=O)Cc2ccccn2)c1 ZINC000191183264 345991389 /nfs/dbraw/zinc/99/13/89/345991389.db2.gz MQRHOUINTOTZQN-MRXNPFEDSA-N 0 0 231.320 2.698 50 0 BFAARN Cc1ccc2c(c1)nc(-c1ccccn1)n2C ZINC000048526520 178959795 /nfs/dbraw/zinc/95/97/95/178959795.db2.gz CXBITEUSBVFQAE-UHFFFAOYSA-N 0 0 223.279 2.944 50 0 BFAARN Cc1ccc2ncnc(NC(C)C)c2c1 ZINC000000946492 178984554 /nfs/dbraw/zinc/98/45/54/178984554.db2.gz JBPRDCRLMVDMKY-UHFFFAOYSA-N 0 0 201.273 2.759 50 0 BFAARN Cc1nc(C(=O)c2ccccc2)c(C)o1 ZINC000001023953 346172989 /nfs/dbraw/zinc/17/29/89/346172989.db2.gz QWPXFOAIOQSANN-UHFFFAOYSA-N 0 0 201.225 2.522 50 0 BFAARN CC(=O)N(C)c1ncc(Cc2ccccc2)s1 ZINC000005383035 346204540 /nfs/dbraw/zinc/20/45/40/346204540.db2.gz VOKXQSRHEDEMAW-UHFFFAOYSA-N 0 0 246.335 2.717 50 0 BFAARN Cc1c/c(=N/c2ccccc2)n2ccsc2n1 ZINC000008804394 346236840 /nfs/dbraw/zinc/23/68/40/346236840.db2.gz BBPBQRNTVWLARS-QINSGFPZSA-N 0 0 241.319 2.937 50 0 BFAARN CC(C)C(=O)Nc1cc(-c2ccccc2)no1 ZINC000005451483 346230775 /nfs/dbraw/zinc/23/07/75/346230775.db2.gz HADHWBUNMAZRLB-UHFFFAOYSA-N 0 0 230.267 2.936 50 0 BFAARN CCCCC(=O)Nc1nc(C)c(C)s1 ZINC000005458451 346233047 /nfs/dbraw/zinc/23/30/47/346233047.db2.gz ZVDTUSGNBGRTKM-UHFFFAOYSA-N 0 0 212.318 2.889 50 0 BFAARN Cc1cccc(C(=O)N(C)Cc2ccco2)c1 ZINC000012977014 179005635 /nfs/dbraw/zinc/00/56/35/179005635.db2.gz MKYYSJWZTSYVNZ-UHFFFAOYSA-N 0 0 229.279 2.860 50 0 BFAARN Cc1cc(CN(C)C(=O)c2cccc(C)c2)no1 ZINC000047665423 179005816 /nfs/dbraw/zinc/00/58/16/179005816.db2.gz SZXWASYHHVJPAS-UHFFFAOYSA-N 0 0 244.294 2.564 50 0 BFAARN Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000005343265 179006824 /nfs/dbraw/zinc/00/68/24/179006824.db2.gz RZQSYVFYSMVASQ-UHFFFAOYSA-N 0 0 203.285 2.621 50 0 BFAARN CC(C)c1ccncc1Br ZINC000005482036 346239693 /nfs/dbraw/zinc/23/96/93/346239693.db2.gz WSNTVJABNWFYPA-UHFFFAOYSA-N 0 0 200.079 2.968 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(C)n2)o1 ZINC000040051423 179023157 /nfs/dbraw/zinc/02/31/57/179023157.db2.gz KWDDZZDDTVZVGX-LLVKDONJSA-N 0 0 244.294 2.782 50 0 BFAARN Cc1cccc(C(=O)N[C@H](C)Cc2ccco2)c1 ZINC000042381761 179023342 /nfs/dbraw/zinc/02/33/42/179023342.db2.gz LLIVQYRDSZRCGS-GFCCVEGCSA-N 0 0 243.306 2.949 50 0 BFAARN COC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000034409302 346266762 /nfs/dbraw/zinc/26/67/62/346266762.db2.gz LMMPYODKIVQSLD-ZETCQYMHSA-N 0 0 230.716 2.994 50 0 BFAARN Cc1cccc(C(=O)NCc2ccoc2)c1C ZINC000032926522 179019561 /nfs/dbraw/zinc/01/95/61/179019561.db2.gz DDBLAIPHWHYURM-UHFFFAOYSA-N 0 0 229.279 2.826 50 0 BFAARN Cc1cccc(C(=O)N[C@@H](C)c2ccccn2)c1 ZINC000012539148 179021487 /nfs/dbraw/zinc/02/14/87/179021487.db2.gz IIVWARPLGXNSML-LBPRGKRZSA-N 0 0 240.306 2.881 50 0 BFAARN Cc1cccc(C(=O)c2cccc(F)c2)n1 ZINC000045028470 179026763 /nfs/dbraw/zinc/02/67/63/179026763.db2.gz MKYDBHXFFDYQQT-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN CCCc1cc(=O)[nH]c(Nc2cccc(F)c2)n1 ZINC000005625399 346286891 /nfs/dbraw/zinc/28/68/91/346286891.db2.gz XVSABCGCNIOKSH-UHFFFAOYSA-N 0 0 247.273 2.605 50 0 BFAARN Cc1nonc1CNC(C)(C)c1cccc(C)c1 ZINC000239366904 179027984 /nfs/dbraw/zinc/02/79/84/179027984.db2.gz AGQNOFLPYCSLDT-UHFFFAOYSA-N 0 0 245.326 2.711 50 0 BFAARN Cc1cccc(C)c1I ZINC000001699885 179039184 /nfs/dbraw/zinc/03/91/84/179039184.db2.gz QTUGGVBKWIYQSS-UHFFFAOYSA-N 0 0 232.064 2.908 50 0 BFAARN Cc1cccc(C)c1N1CCc2c[nH]nc21 ZINC000018137378 179039744 /nfs/dbraw/zinc/03/97/44/179039744.db2.gz BVAWPUMRTMTGLV-UHFFFAOYSA-N 0 0 213.284 2.721 50 0 BFAARN Cc1cccc(C)c1NC(=O)c1cccnc1 ZINC000000245702 179042446 /nfs/dbraw/zinc/04/24/46/179042446.db2.gz JITBOTGCIMNEBT-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1cccc(C2(C(=O)NC3CC3)CCC2)c1 ZINC000024592766 179050829 /nfs/dbraw/zinc/05/08/29/179050829.db2.gz VVXVKVREBGPFAO-UHFFFAOYSA-N 0 0 229.323 2.695 50 0 BFAARN Cc1cccc(CC(=O)Nc2ccncc2)c1 ZINC000008382895 179052262 /nfs/dbraw/zinc/05/22/62/179052262.db2.gz DRKJHIYSICYWPY-UHFFFAOYSA-N 0 0 226.279 2.571 50 0 BFAARN Cc1occc1C(=O)Nc1cc(C)ccn1 ZINC000000475310 346380703 /nfs/dbraw/zinc/38/07/03/346380703.db2.gz URQXYGAHTIMHHT-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN Cc1ccc(CNC2N=NC(=S)S2)cc1 ZINC000000104587 346400964 /nfs/dbraw/zinc/40/09/64/346400964.db2.gz GAVAQMNCJJHKTK-UHFFFAOYSA-N 0 0 237.353 2.747 50 0 BFAARN Cc1oncc1C(=O)Nc1ccc(C)cc1 ZINC000000384938 346415925 /nfs/dbraw/zinc/41/59/25/346415925.db2.gz MIOYDAUCMWWNRH-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN Cc1ccc(NC(=O)c2cccs2)nc1 ZINC000000869722 346426440 /nfs/dbraw/zinc/42/64/40/346426440.db2.gz VILMXJBASVKLLO-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN Cc1ccc2c(c1)sc1nc(C)cc(=O)n21 ZINC000001558062 346448781 /nfs/dbraw/zinc/44/87/81/346448781.db2.gz OOUWLEUZCYBWRD-UHFFFAOYSA-N 0 0 230.292 2.526 50 0 BFAARN Cc1cccc(CNC(=O)c2ccco2)c1 ZINC000006924232 179088056 /nfs/dbraw/zinc/08/80/56/179088056.db2.gz MGZGNQFKTHFECK-UHFFFAOYSA-N 0 0 215.252 2.518 50 0 BFAARN Cc1cccc(CNC(=O)c2ccsc2)c1 ZINC000013000605 179088335 /nfs/dbraw/zinc/08/83/35/179088335.db2.gz KFLVPJMKIMMOLR-UHFFFAOYSA-N 0 0 231.320 2.987 50 0 BFAARN Cc1cccc(Cl)c1NC(=O)N(C)C ZINC000000396811 179107547 /nfs/dbraw/zinc/10/75/47/179107547.db2.gz JFJBZGMKDGUYOW-UHFFFAOYSA-N 0 0 212.680 2.742 50 0 BFAARN Cc1nc(N)sc1Cc1cccc(C)c1 ZINC000035250894 179107788 /nfs/dbraw/zinc/10/77/88/179107788.db2.gz WUAKMVRSFZDZCX-UHFFFAOYSA-N 0 0 218.325 2.933 50 0 BFAARN CCc1ccc(C2=CN3CCN=C3S2)cc1 ZINC000002597980 346514287 /nfs/dbraw/zinc/51/42/87/346514287.db2.gz GMWASIUCNTWDPA-UHFFFAOYSA-N 0 0 230.336 2.966 50 0 BFAARN Cc1cc(NCc2cccc(C)c2)no1 ZINC000083343790 179102204 /nfs/dbraw/zinc/10/22/04/179102204.db2.gz BEPDODQJIQPVKF-UHFFFAOYSA-N 0 0 202.257 2.904 50 0 BFAARN Cc1cccc(Cl)c1NC(=O)C1CC1 ZINC000000401515 179108407 /nfs/dbraw/zinc/10/84/07/179108407.db2.gz FJNPGYGJOYLLRH-UHFFFAOYSA-N 0 0 209.676 2.997 50 0 BFAARN Cc1cccc(N(C)C(=O)Cc2cccs2)n1 ZINC000118623678 179112722 /nfs/dbraw/zinc/11/27/22/179112722.db2.gz SXDZYCKRGPJKMN-UHFFFAOYSA-N 0 0 246.335 2.657 50 0 BFAARN CC(C)(C)SCCNC(=O)C(C)(C)C ZINC000003170826 346554961 /nfs/dbraw/zinc/55/49/61/346554961.db2.gz DHFZHJQCLQJJAX-UHFFFAOYSA-N 0 0 217.378 2.680 50 0 BFAARN Cc1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000100490987 179122876 /nfs/dbraw/zinc/12/28/76/179122876.db2.gz PSKSWJCLXCHTTR-BETUJISGSA-N 0 0 243.306 2.675 50 0 BFAARN C/C(=C\c1cnn(C(C)C)c1)c1cnccn1 ZINC000187649318 346593992 /nfs/dbraw/zinc/59/39/92/346593992.db2.gz GJTFKYTXEMTTTA-IZZDOVSWSA-N 0 0 228.299 2.815 50 0 BFAARN Cc1cccc(NC(=O)CC(C)(C)C)n1 ZINC000000068313 179126714 /nfs/dbraw/zinc/12/67/14/179126714.db2.gz QARLFLZDHLPCKB-UHFFFAOYSA-N 0 0 206.289 2.765 50 0 BFAARN O=C(c1cc(Cl)cc(Cl)c1)n1ccnc1 ZINC000005062136 346609505 /nfs/dbraw/zinc/60/95/05/346609505.db2.gz BXWHIDQSOAULGP-UHFFFAOYSA-N 0 0 241.077 2.878 50 0 BFAARN Cc1nnc(NC(=O)Nc2cccc(C)c2)s1 ZINC000000427489 179137903 /nfs/dbraw/zinc/13/79/03/179137903.db2.gz WIJVIFVWXQSREK-UHFFFAOYSA-N 0 0 248.311 2.799 50 0 BFAARN Cc1cccc(NC(=O)CN2CCCCC2)c1C ZINC000005508763 179128607 /nfs/dbraw/zinc/12/86/07/179128607.db2.gz JOFSALNFRAQPMX-UHFFFAOYSA-N 0 0 246.354 2.728 50 0 BFAARN Cc1cccc(NC(=O)C[C@H](C)n2cccn2)c1 ZINC000020991033 179129526 /nfs/dbraw/zinc/12/95/26/179129526.db2.gz JPRXRSGLDWGUKF-LBPRGKRZSA-N 0 0 243.310 2.781 50 0 BFAARN Cc1oncc1C(=O)Nc1cccc(C)c1C ZINC000000385195 179142886 /nfs/dbraw/zinc/14/28/86/179142886.db2.gz NSPRJHSAWRIKRT-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN Cc1ccc(NC(=O)CC(C)(C)C)cc1N ZINC000008703528 346681454 /nfs/dbraw/zinc/68/14/54/346681454.db2.gz PVFVABVUYCTMSG-UHFFFAOYSA-N 0 0 220.316 2.952 50 0 BFAARN Cc1cccc(N[C@H](C)C[C@H](O)c2ccco2)n1 ZINC000097096515 179156226 /nfs/dbraw/zinc/15/62/26/179156226.db2.gz FUMYGTDTCJEEJB-NEPJUHHUSA-N 0 0 246.310 2.907 50 0 BFAARN Cc1cccc(O)c1NC(=O)c1ccccc1O ZINC000170592977 179161659 /nfs/dbraw/zinc/16/16/59/179161659.db2.gz BVJXLLNOOGYONL-UHFFFAOYSA-N 0 0 243.262 2.659 50 0 BFAARN Cc1cccc(OC(=O)c2ccco2)c1 ZINC000012137954 179162187 /nfs/dbraw/zinc/16/21/87/179162187.db2.gz WUQNWQWNFJZXEH-UHFFFAOYSA-N 0 0 202.209 2.807 50 0 BFAARN Cc1cccc(O[C@@H](C)C(=O)NC(C)(C)C)c1C ZINC000044900312 179173594 /nfs/dbraw/zinc/17/35/94/179173594.db2.gz MBZFSLCWEFYITN-LBPRGKRZSA-N 0 0 249.354 2.985 50 0 BFAARN Cc1cccc(O[C@H](C)C(=O)NC(C)C)c1C ZINC000020110307 179175223 /nfs/dbraw/zinc/17/52/23/179175223.db2.gz DJKAXGLNVJQDEK-GFCCVEGCSA-N 0 0 235.327 2.595 50 0 BFAARN Cc1cccc([C@@H](O)CNc2cccc(C)n2)c1 ZINC000158060945 179188005 /nfs/dbraw/zinc/18/80/05/179188005.db2.gz MVUQISRXNHNEOI-AWEZNQCLSA-N 0 0 242.322 2.844 50 0 BFAARN CCc1cnc(NC(=O)/C=C/c2ccco2)s1 ZINC000004539952 347185231 /nfs/dbraw/zinc/18/52/31/347185231.db2.gz WMKQGJCPPGCTPW-AATRIKPKSA-N 0 0 248.307 2.950 50 0 BFAARN CCCC(=O)Nc1nnc(-c2cccc(F)c2)o1 ZINC000038552603 168567903 /nfs/dbraw/zinc/56/79/03/168567903.db2.gz PFROWMDJCVOHFE-UHFFFAOYSA-N 0 0 249.245 2.614 50 0 BFAARN CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000013746401 362802672 /nfs/dbraw/zinc/80/26/72/362802672.db2.gz QXEBSCYDVKOQAI-ZJUUUORDSA-N 0 0 238.306 2.984 50 0 BFAARN Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)[O-])c1 ZINC000012398732 179203250 /nfs/dbraw/zinc/20/32/50/179203250.db2.gz LNEHZQOPLIYHFP-CYBMUJFWSA-N 0 0 233.311 2.607 50 0 BFAARN Cc1cccc2c1nc(-c1ccncc1)oc2=O ZINC000012421346 179208391 /nfs/dbraw/zinc/20/83/91/179208391.db2.gz FUQYJXHIAMPGJO-UHFFFAOYSA-N 0 0 238.246 2.558 50 0 BFAARN Cc1cccc2c(C(F)(F)F)cc(=O)[nH]c12 ZINC000012955489 179209190 /nfs/dbraw/zinc/20/91/90/179209190.db2.gz AUVTXZZBDKDPFI-UHFFFAOYSA-N 0 0 227.185 2.855 50 0 BFAARN Cn1cc(CNc2cccc(Cl)c2)cn1 ZINC000020075147 347404052 /nfs/dbraw/zinc/40/40/52/347404052.db2.gz MRWYOAGGCREORB-UHFFFAOYSA-N 0 0 221.691 2.686 50 0 BFAARN CCCC(=O)c1ccc(NC(C)=O)cc1 ZINC000002529410 168571658 /nfs/dbraw/zinc/57/16/58/168571658.db2.gz NYUNVUICRAJDLH-UHFFFAOYSA-N 0 0 205.257 2.628 50 0 BFAARN Cc1ccccc1-c1nc2ccccn2c1N ZINC000053709331 179238239 /nfs/dbraw/zinc/23/82/39/179238239.db2.gz LAVLUNAZDXGCJX-UHFFFAOYSA-N 0 0 223.279 2.892 50 0 BFAARN Cc1ccccc1-n1cnc(Cl)c1C=O ZINC000040150499 179241983 /nfs/dbraw/zinc/24/19/83/179241983.db2.gz RGNQFSMOHVRMER-UHFFFAOYSA-N 0 0 220.659 2.647 50 0 BFAARN Cc1ccccc1C=Cc1n[nH]c(=S)[nH]1 ZINC000014253600 179243925 /nfs/dbraw/zinc/24/39/25/179243925.db2.gz XTADNOLSCBYCTP-VOTSOKGWSA-N 0 0 217.297 2.946 50 0 BFAARN CCCC(=O)c1ccccc1NC(C)=O ZINC000000398467 168572232 /nfs/dbraw/zinc/57/22/32/168572232.db2.gz KEEVFPBLSSXEDO-UHFFFAOYSA-N 0 0 205.257 2.628 50 0 BFAARN Cc1ccc(O)c(C(=O)N(C)Cc2ccco2)c1 ZINC000012884110 347474761 /nfs/dbraw/zinc/47/47/61/347474761.db2.gz RMHGAPGGKFOHKN-UHFFFAOYSA-N 0 0 245.278 2.566 50 0 BFAARN Cc1ccccc1C(=O)N1C[C@H](C)OCC1(C)C ZINC000036075958 179248431 /nfs/dbraw/zinc/24/84/31/179248431.db2.gz MLBGDSCCGGWOAC-LBPRGKRZSA-N 0 0 247.338 2.635 50 0 BFAARN Cc1ccccc1C(=O)NCCC(C)C ZINC000000030391 179249184 /nfs/dbraw/zinc/24/91/84/179249184.db2.gz YNDNHEOIDGCSOS-UHFFFAOYSA-N 0 0 205.301 2.771 50 0 BFAARN Cc1ccccc1C1(C(=O)N2CCCC2)CC1 ZINC000097212260 179255863 /nfs/dbraw/zinc/25/58/63/179255863.db2.gz RCBGPHBAIZJLHU-UHFFFAOYSA-N 0 0 229.323 2.649 50 0 BFAARN Cc1ccccc1C(=O)Nc1nccs1 ZINC000000059851 179252893 /nfs/dbraw/zinc/25/28/93/179252893.db2.gz UOJCOUIZCYPYTH-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN CC(C)(O)c1ccc(OCCCF)cc1 ZINC000195553210 347641782 /nfs/dbraw/zinc/64/17/82/347641782.db2.gz UVEAIYFCKOPZEZ-UHFFFAOYSA-N 0 0 212.264 2.652 50 0 BFAARN CCCc1n[nH]cc1C(=O)N1CCCC(C)(C)C1 ZINC000195567435 347647063 /nfs/dbraw/zinc/64/70/63/347647063.db2.gz VLLIJACYRRQDSJ-UHFFFAOYSA-N 0 0 249.358 2.624 50 0 BFAARN c1cc2ncc(CNc3ncccn3)cc2s1 ZINC000195573321 347648070 /nfs/dbraw/zinc/64/80/70/347648070.db2.gz KBXJFTNDYBTOAQ-UHFFFAOYSA-N 0 0 242.307 2.698 50 0 BFAARN CC(C)=C[C@@H](C)OC(=O)c1cccnc1 ZINC000195577074 347648549 /nfs/dbraw/zinc/64/85/49/347648549.db2.gz ZYSSQYWVAVMPCB-SNVBAGLBSA-N 0 0 205.257 2.593 50 0 BFAARN Cc1noc([C@H](C)SCC[C@H]2CCCO2)n1 ZINC000195576805 347648645 /nfs/dbraw/zinc/64/86/45/347648645.db2.gz BXORNHOOZUNCTR-WCBMZHEXSA-N 0 0 242.344 2.741 50 0 BFAARN Cc1ccccc1COc1ccc(C(N)=O)cc1 ZINC000006728951 179285915 /nfs/dbraw/zinc/28/59/15/179285915.db2.gz GRJRFESMCXPPFZ-UHFFFAOYSA-N 0 0 241.290 2.673 50 0 BFAARN Cc1ccccc1CS[C@@H](C)C(=O)NC1CC1 ZINC000066319142 179286815 /nfs/dbraw/zinc/28/68/15/179286815.db2.gz QOJGTQQYIWXLSA-NSHDSACASA-N 0 0 249.379 2.895 50 0 BFAARN Cc1ccccc1NC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000006726194 179301028 /nfs/dbraw/zinc/30/10/28/179301028.db2.gz DHHJFEJPNKVFIM-DGCLKSJQSA-N 0 0 248.326 2.684 50 0 BFAARN Cc1ccccc1NC(=S)N1CCCC1 ZINC000008830239 179303254 /nfs/dbraw/zinc/30/32/54/179303254.db2.gz CYSDOZYIQNNDFF-UHFFFAOYSA-N 0 0 220.341 2.788 50 0 BFAARN Cc1ccccc1N1C(=O)c2ccccc2C1=O ZINC000000050522 179296707 /nfs/dbraw/zinc/29/67/07/179296707.db2.gz KPYGHQALDAITMY-UHFFFAOYSA-N 0 0 237.258 2.796 50 0 BFAARN Cc1ccccc1[C@@H](C)NC(=O)c1ccncc1 ZINC000017963449 179320061 /nfs/dbraw/zinc/32/00/61/179320061.db2.gz MKDBYSJXHUYIBN-GFCCVEGCSA-N 0 0 240.306 2.881 50 0 BFAARN Cc1ccccc1[C@H](C)NC(=O)NC(C)C ZINC000025992399 179335943 /nfs/dbraw/zinc/33/59/43/179335943.db2.gz VIQSYXZXSLMPBI-NSHDSACASA-N 0 0 220.316 2.764 50 0 BFAARN Cc1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000069893518 179351795 /nfs/dbraw/zinc/35/17/95/179351795.db2.gz SCTPNYXAOYHKLH-UHFFFAOYSA-N 0 0 233.698 2.858 50 0 BFAARN CC1(C)C[C@]23C(=O)CCC(=O)[C@]2(C)CC[C@@H]13 ZINC000229762587 187391197 /nfs/dbraw/zinc/39/11/97/187391197.db2.gz PLFWLYJWPAOEIB-HERUPUMHSA-N 0 0 220.312 2.751 50 0 BFAARN Cc1cccnc1NC(=O)NCc1cccs1 ZINC000042838907 179392141 /nfs/dbraw/zinc/39/21/41/179392141.db2.gz AWROITUGPSOCKV-UHFFFAOYSA-N 0 0 247.323 2.773 50 0 BFAARN Cc1cccnc1NC(=O)[C@H]1CC=CCC1 ZINC000027650612 179392155 /nfs/dbraw/zinc/39/21/55/179392155.db2.gz WTCQVHPBQOZBAK-NSHDSACASA-N 0 0 216.284 2.685 50 0 BFAARN Cc1cccnc1NC(=O)Nc1ncccc1C ZINC000012524205 179392618 /nfs/dbraw/zinc/39/26/18/179392618.db2.gz QYCPPNRJHGKALS-UHFFFAOYSA-N 0 0 242.282 2.737 50 0 BFAARN Cc1cccnc1N[C@H]1OC(=O)c2ccccc21 ZINC000000164885 179395858 /nfs/dbraw/zinc/39/58/58/179395858.db2.gz HRGYUBXMOFMPQO-ZDUSSCGKSA-N 0 0 240.262 2.671 50 0 BFAARN Cc1ccn(CCCc2ccccc2)c(=O)c1 ZINC000071513644 179409935 /nfs/dbraw/zinc/40/99/35/179409935.db2.gz ORWDTITYWQQFKC-UHFFFAOYSA-N 0 0 227.307 2.790 50 0 BFAARN Cc1ccn2c(C(=O)c3ccccc3)cnc2c1 ZINC000004543005 179412328 /nfs/dbraw/zinc/41/23/28/179412328.db2.gz HEYDHPSNBWILFO-UHFFFAOYSA-N 0 0 236.274 2.874 50 0 BFAARN CCCC1(CCC)O[C@]1(CC)C(=O)OC ZINC000669382743 538004538 /nfs/dbraw/zinc/00/45/38/538004538.db2.gz LCLQJBPYZDHJIF-GFCCVEGCSA-N 0 0 214.305 2.677 50 0 BFAARN Cc1ccoc1C(=O)NCc1cccs1 ZINC000023239017 179507045 /nfs/dbraw/zinc/50/70/45/179507045.db2.gz FNXBKNFOHLDOAN-UHFFFAOYSA-N 0 0 221.281 2.580 50 0 BFAARN O=C(Oc1cccc2cccnc21)N1CCCC1 ZINC000000609958 348556324 /nfs/dbraw/zinc/55/63/24/348556324.db2.gz NSXZLPKBJNPFFH-UHFFFAOYSA-N 0 0 242.278 2.829 50 0 BFAARN Cc1c[nH]c(Sc2cn3c(cccc3C)n2)n1 ZINC000027755398 179645346 /nfs/dbraw/zinc/64/53/46/179645346.db2.gz JSLAPOVZBBSPNJ-UHFFFAOYSA-N 0 0 244.323 2.825 50 0 BFAARN Cc1cnc(CNc2ccc(Cl)cn2)o1 ZINC000192737485 179612850 /nfs/dbraw/zinc/61/28/50/179612850.db2.gz FBSFGSWDOCAZJX-UHFFFAOYSA-N 0 0 223.663 2.644 50 0 BFAARN COc1ccc(Br)c(C)c1 ZINC000000395496 187408337 /nfs/dbraw/zinc/40/83/37/187408337.db2.gz BLZNSXFQRKVFRP-UHFFFAOYSA-N 0 0 201.063 2.766 50 0 BFAARN CC(C)(O)Cc1cccc(Br)c1 ZINC000037463551 187423647 /nfs/dbraw/zinc/42/36/47/187423647.db2.gz OLYJGZCFJLMCKV-UHFFFAOYSA-N 0 0 229.117 2.763 50 0 BFAARN Cc1cccc(C(=O)Nc2cccnc2)c1 ZINC000000341755 190969835 /nfs/dbraw/zinc/96/98/35/190969835.db2.gz DBCREUIMFKGZMA-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN Cc1csc(NC(=O)c2ccccc2)n1 ZINC000005712475 179787024 /nfs/dbraw/zinc/78/70/24/179787024.db2.gz NEPIZAVYXKHUCD-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 in-vivo BFAARN CC(C)N(C(=O)c1ccc(O)cc1)C(C)C ZINC000141828589 349165592 /nfs/dbraw/zinc/16/55/92/349165592.db2.gz YIJWBPAOJXIYJY-UHFFFAOYSA-N 0 0 221.300 2.651 50 0 BFAARN CC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000047820546 187434095 /nfs/dbraw/zinc/43/40/95/187434095.db2.gz SVTSCUBKRZOBGZ-UHFFFAOYSA-N 0 0 219.067 2.961 50 0 BFAARN CSc1ccc(C)c(C(=O)N2CCCC2)c1 ZINC000012926319 190979623 /nfs/dbraw/zinc/97/96/23/190979623.db2.gz LHPVMDQFZVRECU-UHFFFAOYSA-N 0 0 235.352 2.953 50 0 BFAARN BrC1=NO[C@H](c2ccccc2)C1 ZINC000030678668 190983750 /nfs/dbraw/zinc/98/37/50/190983750.db2.gz LNXKJBBQEFYTQV-QMMMGPOBSA-N 0 0 226.073 2.856 50 0 BFAARN Cc1nc(-c2ccccc2)c(C=O)s1 ZINC000012370267 179866712 /nfs/dbraw/zinc/86/67/12/179866712.db2.gz LQEZDDVXBGIBSF-UHFFFAOYSA-N 0 0 203.266 2.931 50 0 BFAARN COCc1cc(Br)cs1 ZINC000034434175 190985765 /nfs/dbraw/zinc/98/57/65/190985765.db2.gz QAOVKNAMURILRG-UHFFFAOYSA-N 0 0 207.092 2.657 50 0 BFAARN CCCCCCS[C@H]1CCN(C)C1=O ZINC000185624566 349360388 /nfs/dbraw/zinc/36/03/88/349360388.db2.gz BAFFKIKVARWYHG-JTQLQIEISA-N 0 0 215.362 2.531 50 0 BFAARN CC(=O)Nc1cc(C)nn1-c1ccc(Cl)cc1 ZINC000084105017 191008330 /nfs/dbraw/zinc/00/83/30/191008330.db2.gz HKIRRJVOIWSPEN-UHFFFAOYSA-N 0 0 249.701 2.793 50 0 BFAARN CCCNC(=O)[C@@H](C)SCc1ccccc1 ZINC000002179193 535103833 /nfs/dbraw/zinc/10/38/33/535103833.db2.gz QHFSCROFXVILHT-LLVKDONJSA-N 0 0 237.368 2.835 50 0 BFAARN Cc1nc2[nH]ccc2c(N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000095410681 180003220 /nfs/dbraw/zinc/00/32/20/180003220.db2.gz PBKBQCDTJLFGIC-QWRGUYRKSA-N 0 0 242.326 2.503 50 0 BFAARN Cc1nc(NC(=O)c2ccoc2C)sc1C ZINC000000473781 180014335 /nfs/dbraw/zinc/01/43/35/180014335.db2.gz CXQAUQSQAHQMFZ-UHFFFAOYSA-N 0 0 236.296 2.914 50 0 BFAARN Cc1nc2ccsc2c(NC2CCOCC2)n1 ZINC000095362989 180015761 /nfs/dbraw/zinc/01/57/61/180015761.db2.gz RNBRZHGUCSGBFN-UHFFFAOYSA-N 0 0 249.339 2.591 50 0 BFAARN Cc1nc([C@@H]2CCCN2Cc2ccccc2)no1 ZINC000075573190 180045442 /nfs/dbraw/zinc/04/54/42/180045442.db2.gz SJRPQICGKXUZJZ-ZDUSSCGKSA-N 0 0 243.310 2.715 50 0 BFAARN Cc1nc2[nH]ccc2cc1Br ZINC000016678026 180059140 /nfs/dbraw/zinc/05/91/40/180059140.db2.gz LIWNOYGPTTTZOS-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1 ZINC000065578863 180087351 /nfs/dbraw/zinc/08/73/51/180087351.db2.gz CSYCWUGZWXHXON-UHFFFAOYSA-N 0 0 236.274 2.899 50 0 BFAARN Cc1nc2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2o1 ZINC000032752871 180093883 /nfs/dbraw/zinc/09/38/83/180093883.db2.gz ZKSMESAMZDKAQV-GMSGAONNSA-N 0 0 230.267 2.731 50 0 BFAARN Cc1nc2ccc(NC(=O)c3ccco3)cc2o1 ZINC000058229802 180094170 /nfs/dbraw/zinc/09/41/70/180094170.db2.gz FDCHCMCKWKVMIG-UHFFFAOYSA-N 0 0 242.234 2.982 50 0 BFAARN Cc1nc2nc(-c3ccc(F)cc3)cn2nc1C ZINC000000054366 180114587 /nfs/dbraw/zinc/11/45/87/180114587.db2.gz ORWDLSSACCSDRT-UHFFFAOYSA-N 0 0 242.257 2.547 50 0 BFAARN Cc1nc2sccc2c(-c2ccccc2)[n+]1[O-] ZINC000000334376 180116711 /nfs/dbraw/zinc/11/67/11/180116711.db2.gz YRVGYHKPMYVOEI-UHFFFAOYSA-N 0 0 242.303 2.905 50 0 BFAARN CC(C)(C)n1cc(NCc2cscn2)cn1 ZINC000090198993 187440499 /nfs/dbraw/zinc/44/04/99/187440499.db2.gz FBENDQWRMLLSEB-UHFFFAOYSA-N 0 0 236.344 2.707 50 0 BFAARN Cc1nc2sc3c(c2c(=O)o1)CC[C@H](C)C3 ZINC000000127486 180117731 /nfs/dbraw/zinc/11/77/31/180117731.db2.gz HXYORSNUCFAGLV-LURJTMIESA-N 0 0 235.308 2.683 50 0 BFAARN Cc1ncc(CNC(=O)c2ccccc2C)s1 ZINC000032611472 180150311 /nfs/dbraw/zinc/15/03/11/180150311.db2.gz AFNQABWVSJHJMR-UHFFFAOYSA-N 0 0 246.335 2.690 50 0 BFAARN CCN(CC)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000032610898 350206461 /nfs/dbraw/zinc/20/64/61/350206461.db2.gz HTZUWKZEJGQZMU-UHFFFAOYSA-N 0 0 249.339 2.620 50 0 BFAARN Cc1nccc(N[C@@H]2CCOC3(CCCC3)C2)n1 ZINC000097228574 180202761 /nfs/dbraw/zinc/20/27/61/180202761.db2.gz DBYJKXFCFNKKRB-GFCCVEGCSA-N 0 0 247.342 2.689 50 0 BFAARN O=c1c2ccccc2occ1[C@@H]1OCCS1 ZINC000005776718 350228009 /nfs/dbraw/zinc/22/80/09/350228009.db2.gz PQWVPNKWIOKNNG-GFCCVEGCSA-N 0 0 234.276 2.555 50 0 BFAARN c1nc2c(ncnc2S[C@@H]2C=CCCC2)[nH]1 ZINC000071910984 187442306 /nfs/dbraw/zinc/44/23/06/187442306.db2.gz DPABBAXHFFWIPI-MRVPVSSYSA-N 0 0 232.312 2.554 50 0 BFAARN Cc1nc(-c2ccccc2OCC(C)C)n[nH]1 ZINC000426488187 191084749 /nfs/dbraw/zinc/08/47/49/191084749.db2.gz IZQFFUHLNUCSHX-UHFFFAOYSA-N 0 0 231.299 2.815 50 0 BFAARN [NH3+]CCc1ccc(-c2ccc(C(=O)[O-])s2)cc1 ZINC000725261075 538085702 /nfs/dbraw/zinc/08/57/02/538085702.db2.gz KSHOHHATTPDNAL-UHFFFAOYSA-N 0 0 247.319 2.615 50 0 BFAARN CO[C@H](C)c1cccc(-c2cc(=O)[nH]cn2)c1 ZINC000426519047 191094054 /nfs/dbraw/zinc/09/40/54/191094054.db2.gz YZPOQBJTJYQHNC-SECBINFHSA-N 0 0 230.267 2.557 50 0 BFAARN COc1ccc(-c2ccc(C(C)C)nn2)cn1 ZINC000426503691 191094098 /nfs/dbraw/zinc/09/40/98/191094098.db2.gz UVRIRKVXHGYJLN-UHFFFAOYSA-N 0 0 229.283 2.671 50 0 BFAARN Cc1nn(C(C)C)cc1-c1ccc(N(C)C)nc1 ZINC000426503247 191093386 /nfs/dbraw/zinc/09/33/86/191093386.db2.gz IXNNOFSPLFQRDB-UHFFFAOYSA-N 0 0 244.342 2.900 50 0 BFAARN Cc1nn(C(C)C)cc1-c1ccccc1CO ZINC000426503468 191093509 /nfs/dbraw/zinc/09/35/09/191093509.db2.gz UVISEOSFECTVNQ-UHFFFAOYSA-N 0 0 230.311 2.932 50 0 BFAARN COc1cncc(-c2ccc(OC)c(C=O)c2)c1 ZINC000212589179 538089468 /nfs/dbraw/zinc/08/94/68/538089468.db2.gz PKDOPGOBZOESST-UHFFFAOYSA-N 0 0 243.262 2.578 50 0 BFAARN Cc1ncn(CCc2ccccc2)c1C ZINC000134591212 180286673 /nfs/dbraw/zinc/28/66/73/180286673.db2.gz YZFIDVBDHLFAEH-UHFFFAOYSA-N 0 0 200.285 2.743 50 0 BFAARN CCSc1nccn1-c1ccc(OC)cc1 ZINC000039373459 350339994 /nfs/dbraw/zinc/33/99/94/350339994.db2.gz LCIZXQMUCCXIMU-UHFFFAOYSA-N 0 0 234.324 2.993 50 0 BFAARN CC(C)CCC(=O)NC(C1CC1)C1CC1 ZINC000040489473 350367745 /nfs/dbraw/zinc/36/77/45/350367745.db2.gz JZCFVHAYHIEUQX-UHFFFAOYSA-N 0 0 209.333 2.727 50 0 BFAARN CC(C)c1ccc(-c2cccc(CO)c2)nn1 ZINC000426535660 191097050 /nfs/dbraw/zinc/09/70/50/191097050.db2.gz HPMGUJMHUCOIMV-UHFFFAOYSA-N 0 0 228.295 2.759 50 0 BFAARN O=C(CCc1cccc(F)c1)NCc1ccco1 ZINC000040476633 350368388 /nfs/dbraw/zinc/36/83/88/350368388.db2.gz NHPFEEGJEHZRDW-UHFFFAOYSA-N 0 0 247.269 2.668 50 0 BFAARN Cc1ncsc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000040529531 180303690 /nfs/dbraw/zinc/30/36/90/180303690.db2.gz HGTIFLSSBNVNEZ-DTORHVGOSA-N 0 0 238.356 2.570 50 0 BFAARN CC[C@@H]1CCCC[C@H]1Nc1ncnc2oncc21 ZINC000225503394 350364594 /nfs/dbraw/zinc/36/45/94/350364594.db2.gz NZMDERKPXAEKSR-MWLCHTKSSA-N 0 0 246.314 2.999 50 0 BFAARN Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](CCCO)N2 ZINC000601008694 350329238 /nfs/dbraw/zinc/32/92/38/350329238.db2.gz SDLWMEYMPKDXIK-UXIGCNINSA-N 0 0 247.338 2.639 50 0 BFAARN Cc1cc(=O)c2c(Br)cccc2[nH]1 ZINC000000405134 350333086 /nfs/dbraw/zinc/33/30/86/350333086.db2.gz NPEFFOCCWWDAMF-UHFFFAOYSA-N 0 0 238.084 2.599 50 0 BFAARN COc1cccc(-c2ccc(F)nc2)c1OC ZINC000725264278 538091021 /nfs/dbraw/zinc/09/10/21/538091021.db2.gz WHOZTEPNHKHUQO-UHFFFAOYSA-N 0 0 233.242 2.905 50 0 BFAARN Cc1nn(C)c(Cl)c1C(=O)Nc1ccccc1 ZINC000001590620 180348973 /nfs/dbraw/zinc/34/89/73/180348973.db2.gz ZAJFIKDZSWZHFU-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN Cc1nn(C)c(Cl)c1C(=O)c1cccs1 ZINC000071773262 180349691 /nfs/dbraw/zinc/34/96/91/180349691.db2.gz PWHJXBHJEPJXLK-UHFFFAOYSA-N 0 0 240.715 2.674 50 0 BFAARN Cc1nn(C)c(Cl)c1[C@H](O)c1cccs1 ZINC000071773287 180350843 /nfs/dbraw/zinc/35/08/43/180350843.db2.gz RZHKWYBMOSTAQU-SECBINFHSA-N 0 0 242.731 2.525 50 0 BFAARN O=C(CC1CCCC1)N1CCCCCC1 ZINC000033018937 350439898 /nfs/dbraw/zinc/43/98/98/350439898.db2.gz QJWQUUUZCFOROM-UHFFFAOYSA-N 0 0 209.333 2.969 50 0 BFAARN C[C@@H]1c2ccsc2CCN1C(=O)C1CC1 ZINC000032781421 350430297 /nfs/dbraw/zinc/43/02/97/350430297.db2.gz PFDOIQIRVHGUAZ-MRVPVSSYSA-N 0 0 221.325 2.604 50 0 BFAARN Cc1nn2c(nccc2-c2ccccn2)c1Cl ZINC000001403934 180393436 /nfs/dbraw/zinc/39/34/36/180393436.db2.gz JQXPOGBPBFFCDV-UHFFFAOYSA-N 0 0 244.685 2.753 50 0 BFAARN Cc1ccsc1-c1nnc2sc(C)nn21 ZINC000020714656 180393499 /nfs/dbraw/zinc/39/34/99/180393499.db2.gz OABQVAOMLFLLDM-UHFFFAOYSA-N 0 0 236.325 2.531 50 0 BFAARN CC(C)Cn1cc(NCc2ccncc2)cn1 ZINC000090199564 187453859 /nfs/dbraw/zinc/45/38/59/187453859.db2.gz YLZVGSBZRLUDJI-UHFFFAOYSA-N 0 0 230.315 2.546 50 0 BFAARN CCSCC(=O)c1c(F)cccc1F ZINC000037353244 362968636 /nfs/dbraw/zinc/96/86/36/362968636.db2.gz XVZOBAVHEHGMSV-UHFFFAOYSA-N 0 0 216.252 2.901 50 0 BFAARN Cn1c(Br)cc2ccccc21 ZINC000095080177 187454959 /nfs/dbraw/zinc/45/49/59/187454959.db2.gz LWZBTVYFUVWJLB-UHFFFAOYSA-N 0 0 210.074 2.941 50 0 BFAARN Cc1noc(C)c1C(=O)Nc1ccccc1 ZINC000000111867 180465007 /nfs/dbraw/zinc/46/50/07/180465007.db2.gz JLLUFHRXVWCNOJ-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN CN(C)c1cccc(/C=C/C=C/[N+](=O)[O-])c1 ZINC000005798008 350805447 /nfs/dbraw/zinc/80/54/47/350805447.db2.gz FRJVYNMJWIHOQQ-PLPQCDBPSA-N 0 0 218.256 2.556 50 0 BFAARN CC(C)C(=O)c1cc(Br)ccc1O ZINC000052068484 350901814 /nfs/dbraw/zinc/90/18/14/350901814.db2.gz CQMUOCMTUDZOLK-UHFFFAOYSA-N 0 0 243.100 2.993 50 0 BFAARN O=C(c1ccc(Cl)s1)N1CCCC1 ZINC000001056234 350992713 /nfs/dbraw/zinc/99/27/13/350992713.db2.gz PQQRAZVQJFLFAU-UHFFFAOYSA-N 0 0 215.705 2.638 50 0 BFAARN Cc1occc1[S@@](=O)Cc1ccccc1 ZINC000189657317 180544962 /nfs/dbraw/zinc/54/49/62/180544962.db2.gz NUJQLQKXWXWBHM-HNNXBMFYSA-N 0 0 220.293 2.896 50 0 BFAARN Cc1onc(-c2ccc(Cl)cc2)c1CO ZINC000019948382 180552008 /nfs/dbraw/zinc/55/20/08/180552008.db2.gz VEOYSJHJAJGBDV-UHFFFAOYSA-N 0 0 223.659 2.796 50 0 BFAARN ClC(Cl)(Cl)CCCCn1cncn1 ZINC000003131072 180568865 /nfs/dbraw/zinc/56/88/65/180568865.db2.gz UWWOPDJSXZKIAU-UHFFFAOYSA-N 0 0 242.537 2.819 50 0 BFAARN Clc1cc(CSc2ncc[nH]2)ccn1 ZINC000079003642 180574450 /nfs/dbraw/zinc/57/44/50/180574450.db2.gz GHDAQHDOLINQEE-UHFFFAOYSA-N 0 0 225.704 2.750 50 0 BFAARN Clc1cc(NCc2ncc[nH]2)nc2[nH]ccc21 ZINC000072143220 180576408 /nfs/dbraw/zinc/57/64/08/180576408.db2.gz HRAGVWRUDWUKRX-UHFFFAOYSA-N 0 0 247.689 2.552 50 0 BFAARN Clc1ccc(-c2nn3cnnc3s2)cc1 ZINC000004487453 180577558 /nfs/dbraw/zinc/57/75/58/180577558.db2.gz MHPSEWKVCBQBNU-UHFFFAOYSA-N 0 0 236.687 2.506 50 0 BFAARN Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)no1 ZINC000041591597 351360978 /nfs/dbraw/zinc/36/09/78/351360978.db2.gz AZZZYRWGWNOQJN-NWDGAFQWSA-N 0 0 248.326 2.635 50 0 BFAARN CCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000000041419 363044448 /nfs/dbraw/zinc/04/44/48/363044448.db2.gz WKPUJZVCZXWKCK-UHFFFAOYSA-N 0 0 246.262 2.807 50 0 biogenic,in-vitro BFAARN Cc1sc(N)nc1-c1cccc(F)c1 ZINC000041656350 351540430 /nfs/dbraw/zinc/54/04/30/351540430.db2.gz NNETUDSNEWJTIT-UHFFFAOYSA-N 0 0 208.261 2.840 50 0 BFAARN Clc1nccc(N2CCCCCC2)n1 ZINC000034493133 180602653 /nfs/dbraw/zinc/60/26/53/180602653.db2.gz YJYMMSKOKOREMP-UHFFFAOYSA-N 0 0 211.696 2.510 50 0 BFAARN Clc1nccc(Oc2ccccc2)n1 ZINC000039267915 180602729 /nfs/dbraw/zinc/60/27/29/180602729.db2.gz HCMUSBXMZQRDCA-UHFFFAOYSA-N 0 0 206.632 2.922 50 0 BFAARN CC(C)[N@@H+]1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000213711959 363077388 /nfs/dbraw/zinc/07/73/88/363077388.db2.gz QAMXOKNAYKAQQF-CQSZACIVSA-N 0 0 247.338 2.973 50 0 BFAARN Cc1ccc(NC(=O)c2ccc(Cl)nc2)nc1 ZINC000012545802 352079494 /nfs/dbraw/zinc/07/94/94/352079494.db2.gz WAXQVSUYSSBXJQ-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cn1ccc2c1nccc2-c1ccnc2n[nH]cc21 ZINC000077523057 180713776 /nfs/dbraw/zinc/71/37/76/180713776.db2.gz MTTGQLCYVPLCRW-UHFFFAOYSA-N 0 0 249.277 2.512 50 0 BFAARN Cn1ccnc1SCCc1cccs1 ZINC000060333901 180754102 /nfs/dbraw/zinc/75/41/02/180754102.db2.gz MAQFSEWBVYDKNR-UHFFFAOYSA-N 0 0 224.354 2.816 50 0 BFAARN CS[C@@H]1C[C@@H]2[C@H](C[C@@]1(C)O)C2(C)C ZINC000004027162 352590562 /nfs/dbraw/zinc/59/05/62/352590562.db2.gz BEBHJEIMSRXFJR-PKIKSRDPSA-N 0 0 200.347 2.535 50 0 biogenic BFAARN Cc1c(Br)c(=O)[nH]c2ccccc12 ZINC000008649201 187759580 /nfs/dbraw/zinc/75/95/80/187759580.db2.gz ATONPIUAJAKDQK-UHFFFAOYSA-N 0 0 238.084 2.599 50 0 BFAARN O=C(Nc1nc(C2CC2)cs1)C1CCC1 ZINC000025560312 187764351 /nfs/dbraw/zinc/76/43/51/187764351.db2.gz XQPNHOVPKRRTLO-UHFFFAOYSA-N 0 0 222.313 2.759 50 0 BFAARN Ic1c[nH]c2ccccc12 ZINC000033426782 187765997 /nfs/dbraw/zinc/76/59/97/187765997.db2.gz FQVDXLYJTMHMCG-UHFFFAOYSA-N 0 0 243.047 2.773 50 0 BFAARN CCc1cc(Br)ccc1C=O ZINC000067802606 187785738 /nfs/dbraw/zinc/78/57/38/187785738.db2.gz SQLKXUKAJYHRNP-UHFFFAOYSA-N 0 0 213.074 2.824 50 0 BFAARN CC(=O)N1CCCCc2[nH]c3ccccc3c21 ZINC000071774187 187788386 /nfs/dbraw/zinc/78/83/86/187788386.db2.gz XYWTWQMHSQZKEB-UHFFFAOYSA-N 0 0 228.295 2.857 50 0 BFAARN CC(C)N(C)C(=O)CSCc1ccccc1 ZINC000096951816 187802172 /nfs/dbraw/zinc/80/21/72/187802172.db2.gz RVLWLFXKXOQISR-UHFFFAOYSA-N 0 0 237.368 2.787 50 0 BFAARN C/C=C/C=C\C(=O)Nc1ccccc1OC ZINC000008907635 187816463 /nfs/dbraw/zinc/81/64/63/187816463.db2.gz BMSFDRIZZKRSBD-STMOGGTPSA-N 0 0 217.268 2.766 50 0 BFAARN CN(Cc1noc(C2CC2)n1)CC1=CCCCC1 ZINC000412082569 191255671 /nfs/dbraw/zinc/25/56/71/191255671.db2.gz YHMRAEWBAJHOCJ-UHFFFAOYSA-N 0 0 247.342 2.879 50 0 BFAARN CCCCCCn1c2ccccc2[nH]c1=O ZINC000002713418 168681461 /nfs/dbraw/zinc/68/14/61/168681461.db2.gz IDTLKMNKJYQAMF-UHFFFAOYSA-N 0 0 218.300 2.910 50 0 BFAARN Cc1ccc(Nc2ncnc3n[nH]cc32)c(C)c1 ZINC000001255504 353111449 /nfs/dbraw/zinc/11/14/49/353111449.db2.gz MOJIAGWJPIRXIP-UHFFFAOYSA-N 0 0 239.282 2.713 50 0 BFAARN Clc1c(CN2CCCCC2)nc2ccccn12 ZINC000001257011 353113272 /nfs/dbraw/zinc/11/32/72/353113272.db2.gz CGXVAROIVPDXAX-UHFFFAOYSA-N 0 0 249.745 2.974 50 0 BFAARN Cc1ccc(N2NC3(CCCC3)NC2=S)cc1 ZINC000001260366 353113898 /nfs/dbraw/zinc/11/38/98/353113898.db2.gz DFZMMMYRYFXRPC-UHFFFAOYSA-N 0 0 247.367 2.876 50 0 BFAARN Cc1c[nH]nc1NC(=O)Nc1ccccc1F ZINC000134706163 188086419 /nfs/dbraw/zinc/08/64/19/188086419.db2.gz NUAPXAFNDKCVFV-UHFFFAOYSA-N 0 0 234.234 2.501 50 0 BFAARN CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000072348 188098419 /nfs/dbraw/zinc/09/84/19/188098419.db2.gz SCYGGCAQZFJGRF-UHFFFAOYSA-N 0 0 204.056 2.952 50 0 BFAARN CC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000000050502 188098791 /nfs/dbraw/zinc/09/87/91/188098791.db2.gz XGPLPSYPEKXARJ-UHFFFAOYSA-N 0 0 239.318 2.955 50 0 BFAARN COc1ccc(CC2CCC(=O)CC2)cc1 ZINC000000162031 188099021 /nfs/dbraw/zinc/09/90/21/188099021.db2.gz VUYADWDOAFPYIR-UHFFFAOYSA-N 0 0 218.296 2.997 50 0 BFAARN COc1ccc(CNC(=O)c2ccccc2)cc1 ZINC000000406307 188099248 /nfs/dbraw/zinc/09/92/48/188099248.db2.gz FPRGYYWYHOYPOK-UHFFFAOYSA-N 0 0 241.290 2.625 50 0 BFAARN Cc1c(O)ccc(C(=O)Cc2ccccc2)c1O ZINC000000350912 188099327 /nfs/dbraw/zinc/09/93/27/188099327.db2.gz QADPNRDWZDWADJ-UHFFFAOYSA-N 0 0 242.274 2.832 50 0 BFAARN Cc1cc(Cl)cc2c1NC(=O)CS2 ZINC000000225626 188099539 /nfs/dbraw/zinc/09/95/39/188099539.db2.gz CKRMHETZULBGOC-UHFFFAOYSA-N 0 0 213.689 2.693 50 0 BFAARN CC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000000247801 188099585 /nfs/dbraw/zinc/09/95/85/188099585.db2.gz RXRZTIATQMVXOK-UHFFFAOYSA-N 0 0 211.264 2.897 50 0 BFAARN CC(Nc1ccc(Cl)cc1)=C1CCOC1=O ZINC000000336622 188099802 /nfs/dbraw/zinc/09/98/02/188099802.db2.gz LMTZKNFOUSGOPO-FLIBITNWSA-N 0 0 237.686 2.973 50 0 BFAARN CC(C)C[C@@H](C)NC(=O)Cc1ccccc1F ZINC000000362228 188099901 /nfs/dbraw/zinc/09/99/01/188099901.db2.gz QHXPFVGJPUJAPP-LLVKDONJSA-N 0 0 237.318 2.919 50 0 BFAARN O=c1[nH]c(-c2ccc(Cl)cc2)cs1 ZINC000001686315 188100305 /nfs/dbraw/zinc/10/03/05/188100305.db2.gz XODFWCAVOQHJFC-UHFFFAOYSA-N 0 0 211.673 2.757 50 0 BFAARN CC(=O)Nc1ncnc2sc3c(c21)CCCC3 ZINC000003182263 188100907 /nfs/dbraw/zinc/10/09/07/188100907.db2.gz CKQKXZZBMZFPFE-UHFFFAOYSA-N 0 0 247.323 2.529 50 0 BFAARN Cc1ccc(OCC(=O)N2CCCCC2)cc1C ZINC000002990644 188101303 /nfs/dbraw/zinc/10/13/03/188101303.db2.gz BYMZNJXTOJHMCI-UHFFFAOYSA-N 0 0 247.338 2.695 50 0 BFAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCO1 ZINC000006278542 188103075 /nfs/dbraw/zinc/10/30/75/188103075.db2.gz FLVMCWCPQUIHLQ-NSHDSACASA-N 0 0 239.702 2.766 50 0 BFAARN Cc1ccc(C2=NC(C)(C)NC2=S)cc1 ZINC000004891239 363206140 /nfs/dbraw/zinc/20/61/40/363206140.db2.gz DSJGQDOITKPJGO-UHFFFAOYSA-N 0 0 218.325 2.862 50 0 BFAARN Cc1ccc(NC(=S)Nc2ccn(C)n2)cc1 ZINC000010846849 188103606 /nfs/dbraw/zinc/10/36/06/188103606.db2.gz FEXZTWAUPGNOPY-UHFFFAOYSA-N 0 0 246.339 2.537 50 0 BFAARN Cc1ccnc(Br)c1Cl ZINC000008698243 188103702 /nfs/dbraw/zinc/10/37/02/188103702.db2.gz RLGRCRSMZFZRPK-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN S=C1N=C2CCCC2C2(CCCC2)N1 ZINC000008306571 188104243 /nfs/dbraw/zinc/10/42/43/188104243.db2.gz ZEZYTDGHOMCZJC-UHFFFAOYSA-N 0 0 208.330 2.626 50 0 BFAARN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1N ZINC000022217776 188109023 /nfs/dbraw/zinc/10/90/23/188109023.db2.gz VHAPCOSHZCMPRJ-PHIMTYICSA-N 0 0 246.354 2.695 50 0 BFAARN CC(C)(C)c1ccc(N2CCNC2=O)cc1 ZINC000022996801 188109316 /nfs/dbraw/zinc/10/93/16/188109316.db2.gz CEXQZKAKUMSWKI-UHFFFAOYSA-N 0 0 218.300 2.514 50 0 BFAARN Cc1cc(C)n(Cc2ccc(Cl)c(N)c2)n1 ZINC000036964720 188113556 /nfs/dbraw/zinc/11/35/56/188113556.db2.gz CJVHQAJLHSHCRM-UHFFFAOYSA-N 0 0 235.718 2.784 50 0 BFAARN COc1ccc(CNc2ccnc(Cl)n2)cc1 ZINC000038579793 188116502 /nfs/dbraw/zinc/11/65/02/188116502.db2.gz URYHJKZKECLILE-UHFFFAOYSA-N 0 0 249.701 2.751 50 0 BFAARN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)o1 ZINC000040488471 188118139 /nfs/dbraw/zinc/11/81/39/188118139.db2.gz XOFZAJQBRPFETK-UWVGGRQHSA-N 0 0 221.300 2.706 50 0 BFAARN CC(=O)c1cnn(-c2ccc(C)cc2)c1C ZINC000015015014 188105758 /nfs/dbraw/zinc/10/57/58/188105758.db2.gz ZMUAIJAFDCPXNT-UHFFFAOYSA-N 0 0 214.268 2.692 50 0 BFAARN Clc1n[nH]c2ccc(Br)cc12 ZINC000014983565 188106434 /nfs/dbraw/zinc/10/64/34/188106434.db2.gz SWJXMRPKABLFAG-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN OC/C=C/C=C1CC[NH+](Cc2ccccc2)CC1 ZINC000090726650 188144024 /nfs/dbraw/zinc/14/40/24/188144024.db2.gz WHNOLOCULOSWCX-SNAWJCMRSA-N 0 0 243.350 2.757 50 0 BFAARN Fc1cc(Br)cc2c1CCCN2 ZINC000095218304 188145282 /nfs/dbraw/zinc/14/52/82/188145282.db2.gz IQCLVGHRLJRFNH-UHFFFAOYSA-N 0 0 230.080 2.946 50 0 BFAARN CC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000049479818 188124258 /nfs/dbraw/zinc/12/42/58/188124258.db2.gz VEWKIPBGQXNOKN-CYBMUJFWSA-N 0 0 217.312 2.935 50 0 BFAARN CCNc1ccnc(-c2cc(OC)ccc2F)n1 ZINC000065405871 188129042 /nfs/dbraw/zinc/12/90/42/188129042.db2.gz VSXJCGXDGHMRDL-UHFFFAOYSA-N 0 0 247.273 2.723 50 0 BFAARN OCc1ccccc1-c1ccc2[nH]cnc2c1 ZINC000065495945 188129184 /nfs/dbraw/zinc/12/91/84/188129184.db2.gz CUVPECSPZTULFG-UHFFFAOYSA-N 0 0 224.263 2.722 50 0 BFAARN CC(=O)N(CCc1cccs1)Cc1ccoc1 ZINC000090612263 188129219 /nfs/dbraw/zinc/12/92/19/188129219.db2.gz CRCYMDILRSFWRQ-UHFFFAOYSA-N 0 0 249.335 2.932 50 0 BFAARN CCCC=Cc1ccc2[nH]nc(N)c2c1 ZINC000067872581 188129597 /nfs/dbraw/zinc/12/95/97/188129597.db2.gz JCRRZZUWVLJZHD-SNAWJCMRSA-N 0 0 201.273 2.958 50 0 BFAARN CC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000078152228 188136210 /nfs/dbraw/zinc/13/62/10/188136210.db2.gz QFLGJBVPCJJYCM-ZIAGYGMSSA-N 0 0 217.312 2.534 50 0 BFAARN C(=C/c1nc(C2CC2)no1)\c1cscn1 ZINC000078774237 188136926 /nfs/dbraw/zinc/13/69/26/188136926.db2.gz TXQIMAFDQSLVSW-ONEGZZNKSA-N 0 0 219.269 2.574 50 0 BFAARN CCCCCNC(=O)c1ccccc1F ZINC000002742213 168713470 /nfs/dbraw/zinc/71/34/70/168713470.db2.gz JAKUXQGBFMCMNT-UHFFFAOYSA-N 0 0 209.264 2.746 50 0 BFAARN CC(=O)Nc1ccc(C(C)(C)C)cc1N ZINC000000076102 188158547 /nfs/dbraw/zinc/15/85/47/188158547.db2.gz JNTZRPGQJDESJU-UHFFFAOYSA-N 0 0 206.289 2.525 50 0 BFAARN CC(=O)c1ccc(Sc2nccn2C)cc1 ZINC000019871684 188174437 /nfs/dbraw/zinc/17/44/37/188174437.db2.gz FSTZRCRJGQHNFV-UHFFFAOYSA-N 0 0 232.308 2.774 50 0 BFAARN Cc1nccc(N2CCCCCCC2)n1 ZINC000097009492 188149165 /nfs/dbraw/zinc/14/91/65/188149165.db2.gz ZBABVDQCWDIOID-UHFFFAOYSA-N 0 0 205.305 2.556 50 0 BFAARN CC1(C)[C@H]2CC[C@]1(C)C(O)=C2C(=O)C(F)(F)F ZINC000100041413 188149706 /nfs/dbraw/zinc/14/97/06/188149706.db2.gz ISLOIHOAZDSEAJ-MVKOHCKWSA-N 0 0 248.244 2.759 50 0 BFAARN CCC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000012736061 188175839 /nfs/dbraw/zinc/17/58/39/188175839.db2.gz LJFXVUMXISVEFE-UHFFFAOYSA-N 0 0 240.690 2.647 50 0 BFAARN C/C=C/C=C\C(=O)N[C@@H]1CCC[C@@H]1SCC ZINC000229808767 188186128 /nfs/dbraw/zinc/18/61/28/188186128.db2.gz ZOZDWJYAVDBLRD-SUIIGPHTSA-N 0 0 239.384 2.909 50 0 BFAARN CC(C)(C)CS(=O)(=O)Cc1ccccc1F ZINC000282029201 188206150 /nfs/dbraw/zinc/20/61/50/188206150.db2.gz ZAOADMBWIKLADR-UHFFFAOYSA-N 0 0 244.331 2.787 50 0 BFAARN C[C@@H](Cc1cccs1)C(=O)N1CCCC1 ZINC000098013227 538114866 /nfs/dbraw/zinc/11/48/66/538114866.db2.gz OWQPMPREXUEBST-JTQLQIEISA-N 0 0 223.341 2.549 50 0 BFAARN COc1ccc(Cn2ccccc2=O)c(Cl)c1 ZINC000098016504 538114877 /nfs/dbraw/zinc/11/48/77/538114877.db2.gz BKHKIMKBXJTGRF-UHFFFAOYSA-N 0 0 249.697 2.559 50 0 BFAARN C=C(F)[Si](C)(c1ccccc1)c1ccccc1 ZINC000169945453 538115135 /nfs/dbraw/zinc/11/51/35/538115135.db2.gz IBMIUWHXFMPYLJ-UHFFFAOYSA-N 0 0 242.369 2.902 50 0 BFAARN CSc1ccc(N2CC[C@@H]3CCCC[C@H]32)nn1 ZINC000253618458 353334136 /nfs/dbraw/zinc/33/41/36/353334136.db2.gz IJFVEPXYQQMYHC-WDEREUQCSA-N 0 0 249.383 2.967 50 0 BFAARN Fc1cc(-c2cccnc2Cl)ccn1 ZINC000035246488 180946723 /nfs/dbraw/zinc/94/67/23/180946723.db2.gz AHZUKRIVCWRDDN-UHFFFAOYSA-N 0 0 208.623 2.936 50 0 BFAARN C[C@@H](CNC(=O)c1ccoc1)c1ccccc1 ZINC000032201630 353393954 /nfs/dbraw/zinc/39/39/54/353393954.db2.gz CKRXGHKGNHDCQK-NSHDSACASA-N 0 0 229.279 2.813 50 0 BFAARN Fc1ccc(-c2n[nH]cc2Br)cc1 ZINC000040456601 180958976 /nfs/dbraw/zinc/95/89/76/180958976.db2.gz AZTCXPPINUUHIJ-UHFFFAOYSA-N 0 0 241.063 2.978 50 0 BFAARN Fc1ccc(-n2cnc(Br)c2)cc1 ZINC000072193544 180959567 /nfs/dbraw/zinc/95/95/67/180959567.db2.gz BZRDUINZBROYAQ-UHFFFAOYSA-N 0 0 241.063 2.774 50 0 BFAARN Fc1ccc(C2N=NC(=S)S2)cc1 ZINC000006883653 180960014 /nfs/dbraw/zinc/96/00/14/180960014.db2.gz JHXBRYXSTQWYGA-UHFFFAOYSA-N 0 0 212.274 2.633 50 0 BFAARN CC(=O)O[C@@H]1CCCC[C@@H]1n1nc(C)cc1C ZINC000000553888 188454689 /nfs/dbraw/zinc/45/46/89/188454689.db2.gz OIBGRPDKPXNRMM-QWHCGFSZSA-N 0 0 236.315 2.547 50 0 BFAARN Fc1cccc(-c2ccc(Cl)nn2)c1 ZINC000026420503 180992635 /nfs/dbraw/zinc/99/26/35/180992635.db2.gz SWHBEWAGUFMFCG-UHFFFAOYSA-N 0 0 208.623 2.936 50 0 BFAARN Cc1nc(N)sc1Cc1ccc(F)cc1 ZINC000035250914 188467490 /nfs/dbraw/zinc/46/74/90/188467490.db2.gz WVDURYWVTONNHM-UHFFFAOYSA-N 0 0 222.288 2.764 50 0 BFAARN C=CC(=O)Nc1cccc(Br)c1 ZINC000036883033 188467705 /nfs/dbraw/zinc/46/77/05/188467705.db2.gz PAJMSUNTWHMLKC-UHFFFAOYSA-N 0 0 226.073 2.574 50 0 BFAARN CC(C)=CC(=O)NCc1ccc(Cl)s1 ZINC000036396996 188468554 /nfs/dbraw/zinc/46/85/54/188468554.db2.gz WHYFVMJLOUAIIM-UHFFFAOYSA-N 0 0 229.732 2.984 50 0 BFAARN CC[C@@H](C)NC(=O)CCOc1ccccc1F ZINC000046463895 353708070 /nfs/dbraw/zinc/70/80/70/353708070.db2.gz WDXQUCCEZGBJQJ-SNVBAGLBSA-N 0 0 239.290 2.509 50 0 BFAARN Fc1ccccc1CNc1cccnc1 ZINC000019884505 181012472 /nfs/dbraw/zinc/01/24/72/181012472.db2.gz MGPFKTUNJZNWDK-UHFFFAOYSA-N 0 0 202.232 2.833 50 0 BFAARN O=C(OCc1c(F)cccc1F)c1ccccn1 ZINC000097049140 188501830 /nfs/dbraw/zinc/50/18/30/188501830.db2.gz OQMCSENQHBJMSA-UHFFFAOYSA-N 0 0 249.216 2.717 50 0 BFAARN Fc1ccccc1-c1nnc(-c2ccncc2)o1 ZINC000001231584 181008815 /nfs/dbraw/zinc/00/88/15/181008815.db2.gz PBQFJIAPMHCYOR-UHFFFAOYSA-N 0 0 241.225 2.938 50 0 BFAARN CC(=O)N(C)C[C@H]1[C@H](C)CC(C)=C[C@@H]1C ZINC000101125774 188514125 /nfs/dbraw/zinc/51/41/25/188514125.db2.gz COCCDELCQAVHHZ-DMDPSCGWSA-N 0 0 209.333 2.703 50 0 BFAARN Fc1cnc(Br)cc1Cl ZINC000035569828 181017697 /nfs/dbraw/zinc/01/76/97/181017697.db2.gz HLUPMKHZIRJTHT-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN Fc1cncc(CSc2ccncc2)c1 ZINC000336417244 181020426 /nfs/dbraw/zinc/02/04/26/181020426.db2.gz WIONUEHUFOBXEU-UHFFFAOYSA-N 0 0 220.272 2.908 50 0 BFAARN Fc1nc(F)c(F)c(Oc2cccnc2)c1F ZINC000079046753 181021515 /nfs/dbraw/zinc/02/15/15/181021515.db2.gz WBBZYXGRSPLUSG-UHFFFAOYSA-N 0 0 244.147 2.825 50 0 BFAARN Cc1ccc(O)c(NC(=O)C(C)(C)C)c1 ZINC000011639036 188521432 /nfs/dbraw/zinc/52/14/32/188521432.db2.gz QSJHBHZUNYDSAV-UHFFFAOYSA-N 0 0 207.273 2.685 50 0 BFAARN CC[C@H](O)C(O)(c1ccccc1)c1ccccc1 ZINC000000390810 363292587 /nfs/dbraw/zinc/29/25/87/363292587.db2.gz DWBLJCMBQHQWRY-HNNXBMFYSA-N 0 0 242.318 2.693 50 0 BFAARN O=C(NCC1CC1)[C@@H]1CCCc2ccccc21 ZINC000032760385 354543531 /nfs/dbraw/zinc/54/35/31/354543531.db2.gz BVGGZLIIGHYEOM-CQSZACIVSA-N 0 0 229.323 2.633 50 0 BFAARN CNC(=O)c1cc(C(C)C)nc2ccccc21 ZINC000032841513 354593092 /nfs/dbraw/zinc/59/30/92/354593092.db2.gz UPXTZBYTAAZBRC-UHFFFAOYSA-N 0 0 228.295 2.718 50 0 BFAARN CCN(C(=O)c1ccc(C)c(F)c1)C1CC1 ZINC000040496373 358492339 /nfs/dbraw/zinc/49/23/39/358492339.db2.gz YBZSCDGMNZDNHU-UHFFFAOYSA-N 0 0 221.275 2.759 50 0 BFAARN COC(=O)c1ncc(Cl)cc1C(F)(F)F ZINC000047202299 355363402 /nfs/dbraw/zinc/36/34/02/355363402.db2.gz KQMBHBZPMOJNKB-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN O=c1ccc(-c2ccncc2)c(C(F)(F)F)[nH]1 ZINC000047213830 355366964 /nfs/dbraw/zinc/36/69/64/355366964.db2.gz RCOFQTJHUVDEPI-UHFFFAOYSA-N 0 0 240.184 2.868 50 0 BFAARN O=c1[nH]c(C(F)(F)F)ccc1-c1ccncc1 ZINC000047213824 355367239 /nfs/dbraw/zinc/36/72/39/355367239.db2.gz CWIZUHMRLSDKOS-UHFFFAOYSA-N 0 0 240.184 2.868 50 0 BFAARN Nc1c(Cl)cc(C(F)(F)F)nc1Cl ZINC000047218575 355367989 /nfs/dbraw/zinc/36/79/89/355367989.db2.gz KITFADCMNYDCFZ-UHFFFAOYSA-N 0 0 231.004 2.989 50 0 BFAARN Cc1cccc(CSc2cc(C)nc(=O)[nH]2)c1 ZINC000004314574 355614642 /nfs/dbraw/zinc/61/46/42/355614642.db2.gz BGFUOGIXCIVOPK-UHFFFAOYSA-N 0 0 246.335 2.679 50 0 BFAARN CCCCCn1c2ccccc2nc1CO ZINC000001926847 168750632 /nfs/dbraw/zinc/75/06/32/168750632.db2.gz MBPKUACQBFWOCB-UHFFFAOYSA-N 0 0 218.300 2.719 50 0 BFAARN CC(C)CNC(=O)c1cccn1CC(C)C ZINC000001459119 355769695 /nfs/dbraw/zinc/76/96/95/355769695.db2.gz CXZDIEKLBIJJOU-UHFFFAOYSA-N 0 0 222.332 2.530 50 0 BFAARN CC[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC000001466479 355806116 /nfs/dbraw/zinc/80/61/16/355806116.db2.gz XIUAWVWOVMNYNX-GFCCVEGCSA-N 0 0 209.333 2.968 50 0 BFAARN CC[C@@H](C)NC(=O)/C=C/c1ccc(F)cc1 ZINC000006115935 355881401 /nfs/dbraw/zinc/88/14/01/355881401.db2.gz KOOJCJQGKBMPMJ-OLKPEBQYSA-N 0 0 221.275 2.754 50 0 BFAARN Nc1cc2[nH]ccc2cc1Br ZINC000016678017 355889891 /nfs/dbraw/zinc/88/98/91/355889891.db2.gz SBVQALZKTIHCSD-UHFFFAOYSA-N 0 0 211.062 2.513 50 0 BFAARN CCCC(=O)Nc1ccccc1-c1nc(C)no1 ZINC000022462909 355943479 /nfs/dbraw/zinc/94/34/79/355943479.db2.gz YWMNCJIEPNATHM-UHFFFAOYSA-N 0 0 245.282 2.784 50 0 BFAARN CCOc1ccccc1NC(=O)c1coc(C)n1 ZINC000022538204 355943667 /nfs/dbraw/zinc/94/36/67/355943667.db2.gz UCKQZZASXIGSGB-UHFFFAOYSA-N 0 0 246.266 2.634 50 0 BFAARN c1cc2cc(CNc3ncccn3)ccc2o1 ZINC000351640640 356040258 /nfs/dbraw/zinc/04/02/58/356040258.db2.gz JEDOGPGKJISDSF-UHFFFAOYSA-N 0 0 225.251 2.835 50 0 BFAARN NC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000001670557 181249935 /nfs/dbraw/zinc/24/99/35/181249935.db2.gz DLFSPRHQGAULBQ-UHFFFAOYSA-N 0 0 240.306 2.768 50 0 BFAARN C[C@H](CCc1ccco1)NC(=O)C1CCCC1 ZINC000047741184 356164805 /nfs/dbraw/zinc/16/48/05/356164805.db2.gz WECVNWVZMXLHRP-LLVKDONJSA-N 0 0 235.327 2.907 50 0 BFAARN CCCC(=O)N[C@H](C)CCc1ccco1 ZINC000047741120 356165089 /nfs/dbraw/zinc/16/50/89/356165089.db2.gz JXBGCDGKJMLMDV-SNVBAGLBSA-N 0 0 209.289 2.517 50 0 BFAARN NC(=O)Nc1ccccc1Oc1ccccc1 ZINC000019390276 181263824 /nfs/dbraw/zinc/26/38/24/181263824.db2.gz LRKNHSZSXFGSQF-UHFFFAOYSA-N 0 0 228.251 2.970 50 0 BFAARN NC(=O)[C@@H](c1ccccc1)C1CCCCC1 ZINC000004105283 181266801 /nfs/dbraw/zinc/26/68/01/181266801.db2.gz AWZQYZNWDPTGOT-ZDUSSCGKSA-N 0 0 217.312 2.836 50 0 BFAARN c1ccc(CC[C@@H]2CCCCC23OCCO3)nc1 ZINC000000399771 356357826 /nfs/dbraw/zinc/35/78/26/356357826.db2.gz HUHZMHBFEVJWJJ-ZDUSSCGKSA-N 0 0 247.338 2.948 50 0 BFAARN Cc1ccc(NC(=O)Nc2ncccn2)cc1C ZINC000000401907 356358860 /nfs/dbraw/zinc/35/88/60/356358860.db2.gz VHJYRERISYJXMP-UHFFFAOYSA-N 0 0 242.282 2.737 50 0 BFAARN O=[S@](Nc1ccccc1)c1ccccc1 ZINC000004958248 356363406 /nfs/dbraw/zinc/36/34/06/356363406.db2.gz VLJMBCZQJWXJAW-OAHLLOKOSA-N 0 0 217.293 2.821 50 0 BFAARN COC(NC(=O)c1ccccc1)=C(Cl)Cl ZINC000003122263 356367060 /nfs/dbraw/zinc/36/70/60/356367060.db2.gz WCHFXGJIMONLSG-UHFFFAOYSA-N 0 0 246.093 2.667 50 0 BFAARN C[C@@H]1[C@]23CC=CC[C@@]2(CS1(=O)=O)CCCC3 ZINC000045027907 356372256 /nfs/dbraw/zinc/37/22/56/356372256.db2.gz ZTXAGCGGJCSEOI-FRRDWIJNSA-N 0 0 240.368 2.700 50 0 BFAARN Cc1ccc(NCCn2cccn2)cc1Cl ZINC000049313981 356414410 /nfs/dbraw/zinc/41/44/10/356414410.db2.gz HJPRRYOFYISFGG-UHFFFAOYSA-N 0 0 235.718 2.957 50 0 BFAARN NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000068719916 181284467 /nfs/dbraw/zinc/28/44/67/181284467.db2.gz QQDVXAGMYJRYEN-BQBZGAKWSA-N 0 0 230.094 2.582 50 0 BFAARN CC(=O)[C@@H]1COc2cc(C)c(Cl)cc2C1 ZINC000675063470 538490058 /nfs/dbraw/zinc/49/00/58/538490058.db2.gz FVHDXPLTJWRRMU-JTQLQIEISA-N 0 0 224.687 2.789 50 0 BFAARN CC(C)=CC(=O)N1CCCc2ccccc21 ZINC000000145674 535342430 /nfs/dbraw/zinc/34/24/30/535342430.db2.gz LLDXRZZWHKLVLL-UHFFFAOYSA-N 0 0 215.296 2.932 50 0 BFAARN Cc1nc(C)c(C(=O)N2CC[C@H]3CCCC[C@H]32)o1 ZINC000089558056 538581128 /nfs/dbraw/zinc/58/11/28/538581128.db2.gz KSPWRNXBSYLLEN-VXGBXAGGSA-N 0 0 248.326 2.696 50 0 BFAARN Cn1ccc(NCc2cc3cc(F)ccc3o2)n1 ZINC000089756690 538583185 /nfs/dbraw/zinc/58/31/85/538583185.db2.gz AIUOLYGLLRLZQK-UHFFFAOYSA-N 0 0 245.257 2.918 50 0 BFAARN O=C(C1CC1)N(C1CC1)C1Cc2ccccc2C1 ZINC000095349138 538602551 /nfs/dbraw/zinc/60/25/51/538602551.db2.gz ZMUGKWWRVHZGHZ-UHFFFAOYSA-N 0 0 241.334 2.555 50 0 BFAARN CC1(C)C[C@@H]([NH2+][C@@H]2CCOC2)c2ccccc21 ZINC000095983721 538612985 /nfs/dbraw/zinc/61/29/85/538612985.db2.gz UVCYJXMOPGBZSQ-BXUZGUMPSA-N 0 0 231.339 2.788 50 0 BFAARN CC(C)C(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 ZINC000096002852 538613464 /nfs/dbraw/zinc/61/34/64/538613464.db2.gz ADSYNAXYCKVXLL-GFCCVEGCSA-N 0 0 249.358 2.614 50 0 BFAARN c1cn(CC2CCC2)c(-c2cccnc2)n1 ZINC000096009635 538613558 /nfs/dbraw/zinc/61/35/58/538613558.db2.gz RIHLGORYHYSBTR-UHFFFAOYSA-N 0 0 213.284 2.745 50 0 BFAARN Cc1ccc(O)c(C(=O)N2CCC(C)CC2)c1 ZINC000012941953 356750023 /nfs/dbraw/zinc/75/00/23/356750023.db2.gz JDMHXUGMXLCLEE-UHFFFAOYSA-N 0 0 233.311 2.573 50 0 BFAARN O=C(c1csc(-c2ccco2)n1)N1CCCC1 ZINC000012949136 356798895 /nfs/dbraw/zinc/79/88/95/356798895.db2.gz YSIOMQAKHSXHTD-UHFFFAOYSA-N 0 0 248.307 2.639 50 0 BFAARN CCNC(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000012942394 538778335 /nfs/dbraw/zinc/77/83/35/538778335.db2.gz SRUBWZYMHIHIJT-UHFFFAOYSA-N 0 0 216.284 2.534 50 0 BFAARN Nc1nccc2sc(Br)cc21 ZINC000212208699 357229756 /nfs/dbraw/zinc/22/97/56/357229756.db2.gz IZZAWBNXIJZNNA-UHFFFAOYSA-N 0 0 229.102 2.641 50 0 BFAARN Cc1ccc(NC(=O)c2cnccn2)c(Cl)c1 ZINC000006272367 357238791 /nfs/dbraw/zinc/23/87/91/357238791.db2.gz LHGFXVZFULNGGU-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1cnc(C(=O)Oc2cccc(Cl)c2)cn1 ZINC000006212502 357189898 /nfs/dbraw/zinc/18/98/98/357189898.db2.gz OKVFOHNFHPZHGQ-UHFFFAOYSA-N 0 0 248.669 2.658 50 0 BFAARN Cc1ccc2[nH]c(=S)c(=S)[nH]c2c1 ZINC000033650436 357330031 /nfs/dbraw/zinc/33/00/31/357330031.db2.gz YTKGLURLTLIZJG-UHFFFAOYSA-N 0 0 208.311 2.890 50 0 BFAARN NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000020136239 181291687 /nfs/dbraw/zinc/29/16/87/181291687.db2.gz AQEWVBMTXAOMMP-UHFFFAOYSA-N 0 0 221.643 2.699 50 0 BFAARN Cc1oc(C)c(C(=O)Nc2cccnc2)c1C ZINC000015826913 538877740 /nfs/dbraw/zinc/87/77/40/538877740.db2.gz GPORGCRTLHBVRF-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN NC(=O)c1cc2c(s1)CCCCCC2 ZINC000016602217 181292515 /nfs/dbraw/zinc/29/25/15/181292515.db2.gz BEGCBXHNCXQIFA-UHFFFAOYSA-N 0 0 209.314 2.506 50 0 BFAARN O=C(Nc1cccc2cnccc21)c1ccccn1 ZINC000012973158 357924004 /nfs/dbraw/zinc/92/40/04/357924004.db2.gz CJTFAXNMPYYRAQ-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN Cc1cnc(C(=O)Nc2ccccc2Cl)cn1 ZINC000006341051 357994408 /nfs/dbraw/zinc/99/44/08/357994408.db2.gz WCKIBKVTZOMXCL-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1cnc(NC(=O)Cc2ccc(C)cc2)s1 ZINC000017346479 358017279 /nfs/dbraw/zinc/01/72/79/358017279.db2.gz ZQKAPBYDHVTYSD-UHFFFAOYSA-N 0 0 246.335 2.941 50 0 BFAARN CC[C@@H](C)C(=O)Nc1nc2c(s1)CCC2 ZINC000006390782 358007592 /nfs/dbraw/zinc/00/75/92/358007592.db2.gz OIQYKQZAEZVCCS-SSDOTTSWSA-N 0 0 224.329 2.616 50 0 BFAARN CC(C)(C)C(=O)NCc1nc2ccccc2s1 ZINC000012983623 358031935 /nfs/dbraw/zinc/03/19/35/358031935.db2.gz ZCPPDZBIBHVAPV-UHFFFAOYSA-N 0 0 248.351 2.959 50 0 BFAARN OCC1(CNc2ccc(Cl)cn2)CCCC1 ZINC000168710339 134246631 /nfs/dbraw/zinc/24/66/31/134246631.db2.gz HSVULVJRBAWIDJ-UHFFFAOYSA-N 0 0 240.734 2.700 50 0 BFAARN CC[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000000373295 358087038 /nfs/dbraw/zinc/08/70/38/358087038.db2.gz WEEDBKYAROGPRB-SECBINFHSA-N 0 0 207.273 2.680 50 0 BFAARN CCOC(=O)CC(=O)CCCc1ccccc1 ZINC000039617014 358231075 /nfs/dbraw/zinc/23/10/75/358231075.db2.gz IPZRCWYMWIOAIH-UHFFFAOYSA-N 0 0 234.295 2.532 50 0 BFAARN O=C(Nc1ccsc1)N[C@@H]1CC[C@@H](F)C1 ZINC000334237479 358222482 /nfs/dbraw/zinc/22/24/82/358222482.db2.gz LZOCVMAMZXCFGM-HTQZYQBOSA-N 0 0 228.292 2.760 50 0 BFAARN Cc1cc(=O)oc2cc(OC(=O)C(C)C)ccc12 ZINC000000139055 359617322 /nfs/dbraw/zinc/61/73/22/359617322.db2.gz YHKLRONIWKBAQX-UHFFFAOYSA-N 0 0 246.262 2.663 50 0 biogenic BFAARN CCc1nc(C)cc(OCc2ccccc2)n1 ZINC000521398226 359700993 /nfs/dbraw/zinc/70/09/93/359700993.db2.gz MQOHKXDXLZPZAO-UHFFFAOYSA-N 0 0 228.295 2.926 50 0 BFAARN COC(C)(C)c1noc(C2=CCCC2)n1 ZINC000089775559 360038111 /nfs/dbraw/zinc/03/81/11/360038111.db2.gz WLWJFERLJZVLRG-UHFFFAOYSA-N 0 0 208.261 2.518 50 0 BFAARN O=C(C1CCCC1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000089818675 360042766 /nfs/dbraw/zinc/04/27/66/360042766.db2.gz XQYAVRQKNONDLS-AAEUAGOBSA-N 0 0 221.344 2.968 50 0 BFAARN CCCc1cc(=O)[nH]c(Nc2ccccc2F)n1 ZINC000005182435 360483378 /nfs/dbraw/zinc/48/33/78/360483378.db2.gz PKDFHRREPYQILX-UHFFFAOYSA-N 0 0 247.273 2.605 50 0 BFAARN O=C(c1ccc(O)cc1O)C1CCCCC1 ZINC000005568248 360490939 /nfs/dbraw/zinc/49/09/39/360490939.db2.gz WQRKAVYOYRBICK-UHFFFAOYSA-N 0 0 220.268 2.861 50 0 BFAARN CC(C)=CC(=O)N(C)Cc1sccc1C ZINC000040461207 219829583 /nfs/dbraw/zinc/82/95/83/219829583.db2.gz NGALHGLMPDKDNE-UHFFFAOYSA-N 0 0 223.341 2.981 50 0 BFAARN NC(=O)c1ccccc1OCc1ccccc1F ZINC000005346751 181306749 /nfs/dbraw/zinc/30/67/49/181306749.db2.gz OQPHVTHDVPINEQ-UHFFFAOYSA-N 0 0 245.253 2.504 50 0 BFAARN CC(C)N(C(=O)c1ccc(Cl)nc1)C(C)C ZINC000071835643 200660507 /nfs/dbraw/zinc/66/05/07/200660507.db2.gz SSIUKIOVKUQYGZ-UHFFFAOYSA-N 0 0 240.734 2.994 50 0 BFAARN C/C=C/C=C\C(=O)Nc1ccc2c(c1)CCN2 ZINC000214348690 200845413 /nfs/dbraw/zinc/84/54/13/200845413.db2.gz WLTZTOBHELMHCF-IAROGAJJSA-N 0 0 228.295 2.725 50 0 BFAARN C[C@@H](CC(=O)Nc1cn[nH]c1)c1ccccc1 ZINC000036394413 361080567 /nfs/dbraw/zinc/08/05/67/361080567.db2.gz IBCOJHBJSLAVAD-JTQLQIEISA-N 0 0 229.283 2.542 50 0 BFAARN Clc1ccc2c(Cl)nnc(Cl)c2n1 ZINC000238535831 361142360 /nfs/dbraw/zinc/14/23/60/361142360.db2.gz RNGUDERGBSCKHI-UHFFFAOYSA-N 0 0 234.473 2.985 50 0 BFAARN Cc1[nH]c2ccc(C(=O)NC3CC3)cc2c1C ZINC000007007366 361172956 /nfs/dbraw/zinc/17/29/56/361172956.db2.gz GTZITSDFBTZNGA-UHFFFAOYSA-N 0 0 228.295 2.677 50 0 BFAARN Cc1ccc(-c2ncc(C)c(N(C)C)n2)c(F)c1 ZINC000426624779 200995084 /nfs/dbraw/zinc/99/50/84/200995084.db2.gz OTJWWUIUWAOEHK-UHFFFAOYSA-N 0 0 245.301 2.966 50 0 BFAARN CCc1nc(-c2cc(C)ccc2C)nn1C ZINC000426746079 200998203 /nfs/dbraw/zinc/99/82/03/200998203.db2.gz KMIWFKYLDIDXGA-UHFFFAOYSA-N 0 0 215.300 2.661 50 0 BFAARN O=C([C@@H]1C[C@@H]1C1CCC1)N1CCC12CCC2 ZINC000170020973 361377362 /nfs/dbraw/zinc/37/73/62/361377362.db2.gz IHUMYFAKSPOQLI-VXGBXAGGSA-N 0 0 219.328 2.578 50 0 BFAARN O=C([C@H]1C[C@H]1C1CCC1)N1CCC12CCC2 ZINC000170020963 361377419 /nfs/dbraw/zinc/37/74/19/361377419.db2.gz IHUMYFAKSPOQLI-RYUDHWBXSA-N 0 0 219.328 2.578 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(C)cn2)c(C)o1 ZINC000036892842 361577881 /nfs/dbraw/zinc/57/78/81/361577881.db2.gz YPPBJRFYOWUZSM-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN CCN(c1ccc(C(=O)N(C)C)cc1)C(C)C ZINC000065608936 361685330 /nfs/dbraw/zinc/68/53/30/361685330.db2.gz JUWFQCXZHJVYHE-UHFFFAOYSA-N 0 0 234.343 2.623 50 0 BFAARN C[C@@H]1c2cccn2CCN1C(=O)C[C@@H]1C=CCC1 ZINC000032753042 363846493 /nfs/dbraw/zinc/84/64/93/363846493.db2.gz GMRLOLOEEYTORO-CHWSQXEVSA-N 0 0 244.338 2.748 50 0 BFAARN Fc1cc(F)cc(OCc2ccccn2)c1 ZINC000097148425 541325184 /nfs/dbraw/zinc/32/51/84/541325184.db2.gz OWDDOCZLUBNVMS-UHFFFAOYSA-N 0 0 221.206 2.939 50 0 BFAARN C[C@@H](NC(=O)C1CCC1)c1ccc(F)cc1 ZINC000012913550 541486798 /nfs/dbraw/zinc/48/67/98/541486798.db2.gz UKFDGECPWLOQLX-SECBINFHSA-N 0 0 221.275 2.803 50 0 BFAARN CC[C@H](N[C@@H](C)c1nccn1C)c1ccncc1 ZINC000183017752 366966784 /nfs/dbraw/zinc/96/67/84/366966784.db2.gz MZEPRXJIEHYMPN-AAEUAGOBSA-N 0 0 244.342 2.617 50 0 BFAARN COc1cccc(-c2cccc(N)c2)c1OC ZINC000143337306 541509134 /nfs/dbraw/zinc/50/91/34/541509134.db2.gz PEQLDCDHJCCSMT-UHFFFAOYSA-N 0 0 229.279 2.953 50 0 BFAARN CC(C)(C)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000012381571 370857912 /nfs/dbraw/zinc/85/79/12/370857912.db2.gz NBWJXCIEFSUCAQ-UHFFFAOYSA-N 0 0 224.304 2.957 50 0 BFAARN CC(C)C(=O)NCc1cc(-c2ccccc2)no1 ZINC000001398122 367661263 /nfs/dbraw/zinc/66/12/63/367661263.db2.gz FTHWHQSOIJMWOS-UHFFFAOYSA-N 0 0 244.294 2.614 50 0 BFAARN CCCCSN1C(=O)c2ccccc2C1=O ZINC000004401866 368100187 /nfs/dbraw/zinc/10/01/87/368100187.db2.gz GVURDWLNXBZCCM-UHFFFAOYSA-N 0 0 235.308 2.731 50 0 BFAARN C=CC(=O)N(Cc1ccco1)Cc1ccco1 ZINC000037828564 368148073 /nfs/dbraw/zinc/14/80/73/368148073.db2.gz QGMMYRWOETYANF-UHFFFAOYSA-N 0 0 231.251 2.587 50 0 BFAARN C[C@H](c1ccc(F)cc1)N1CCO[C@@H](C)C1 ZINC000036423497 368267026 /nfs/dbraw/zinc/26/70/26/368267026.db2.gz QQULBPAWSHVMCJ-WDEREUQCSA-N 0 0 223.291 2.607 50 0 BFAARN CC(C)N(C(=O)c1ccc(N)cc1)C(C)C ZINC000137400197 368389812 /nfs/dbraw/zinc/38/98/12/368389812.db2.gz SKKDTQJSHOOMHA-UHFFFAOYSA-N 0 0 220.316 2.528 50 0 BFAARN COC(=O)C(=Cc1ccccc1OC)N=[N+]=[N-] ZINC000200348959 368406597 /nfs/dbraw/zinc/40/65/97/368406597.db2.gz XECKYEHLURGTFJ-VQHVLOKHSA-N 0 0 233.227 2.519 50 0 BFAARN O=C(Nc1ccc2ccccc2n1)C1CCC1 ZINC000045579065 368429093 /nfs/dbraw/zinc/42/90/93/368429093.db2.gz VROGTKWFCJNBCT-UHFFFAOYSA-N 0 0 226.279 2.973 50 0 BFAARN Cn1c2ccccc2c2c(c1=O)CCC(C)(C)O2 ZINC000000345793 368539201 /nfs/dbraw/zinc/53/92/01/368539201.db2.gz QKYGYGWDLFBXPC-UHFFFAOYSA-N 0 0 243.306 2.642 50 0 BFAARN Cc1ccc(NC(=O)c2ccccc2)nc1 ZINC000000362494 368542036 /nfs/dbraw/zinc/54/20/36/368542036.db2.gz KUAULQNJJCPMMR-UHFFFAOYSA-N 0 0 212.252 2.642 50 0 BFAARN O=C(c1cncs1)N1CCC2(CCCC2)C1 ZINC000584890907 369038542 /nfs/dbraw/zinc/03/85/42/369038542.db2.gz WTNROTXQRGCLPQ-UHFFFAOYSA-N 0 0 236.340 2.549 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N[C@H]1CCSc2ccccc21 ZINC000302056386 369386865 /nfs/dbraw/zinc/38/68/65/369386865.db2.gz UFXJEABLPVHYGD-JLLWLGSASA-N 0 0 247.363 2.996 50 0 BFAARN CCN(Cc1cccc(F)c1)C(=O)[C@H]1C[C@@H]1C ZINC000040462413 169910876 /nfs/dbraw/zinc/91/08/76/169910876.db2.gz IUBOXIMXFNQZKZ-GWCFXTLKSA-N 0 0 235.302 2.830 50 0 BFAARN CCOc1ccc(NC(=O)C2CCC2)cc1OC ZINC000018827593 371094138 /nfs/dbraw/zinc/09/41/38/371094138.db2.gz PSKGEOIWDDKPGS-UHFFFAOYSA-N 0 0 249.310 2.833 50 0 BFAARN COC[C@](C)(NCc1ccco1)c1ccccc1 ZINC000154679630 371143815 /nfs/dbraw/zinc/14/38/15/371143815.db2.gz YVZDKTXYIALVCK-HNNXBMFYSA-N 0 0 245.322 2.931 50 0 BFAARN CCOC(=O)c1ncc(-c2cccs2)o1 ZINC000390826781 371237296 /nfs/dbraw/zinc/23/72/96/371237296.db2.gz BXGQNSVANNMRHS-UHFFFAOYSA-N 0 0 223.253 2.580 50 0 BFAARN CCNC(=O)N[C@@H](C)Cc1cc2ccccc2o1 ZINC000390828808 371239738 /nfs/dbraw/zinc/23/97/38/371239738.db2.gz BVQGJXYRWUPULA-JTQLQIEISA-N 0 0 246.310 2.683 50 0 BFAARN Nc1ccc(-c2cccc(-c3cc[nH]n3)c2)cn1 ZINC000020560621 371297176 /nfs/dbraw/zinc/29/71/76/371297176.db2.gz PMABBNJZOURNFM-UHFFFAOYSA-N 0 0 236.278 2.721 50 0 BFAARN Nc1ccccc1NC(=O)c1ccc(F)cc1 ZINC000020343220 371268980 /nfs/dbraw/zinc/26/89/80/371268980.db2.gz UCWDFJKNVAJOKJ-UHFFFAOYSA-N 0 0 230.242 2.660 50 0 BFAARN CCCCN(CCCC)C(=O)/C=C/c1ncc[nH]1 ZINC000328599253 168804854 /nfs/dbraw/zinc/80/48/54/168804854.db2.gz QXIVXVLXBOZEJC-BQYQJAHWSA-N 0 0 249.358 2.852 50 0 BFAARN Nc1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC000001403937 181673949 /nfs/dbraw/zinc/67/39/49/181673949.db2.gz YKEDJVVQHWJYBR-UHFFFAOYSA-N 0 0 228.082 2.966 50 0 BFAARN Nc1cc(Br)cc2cccnc12 ZINC000000097635 181677805 /nfs/dbraw/zinc/67/78/05/181677805.db2.gz MFCPXRHDOOYWNO-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc2ccccc2n1 ZINC000095955598 371361816 /nfs/dbraw/zinc/36/18/16/371361816.db2.gz CHEMJPMPBZQVFY-ONGXEEELSA-N 0 0 226.279 2.829 50 0 BFAARN Nc1cc(C(F)(F)F)cc2ncccc12 ZINC000095802890 181680220 /nfs/dbraw/zinc/68/02/20/181680220.db2.gz AIWKCHBHDAOYRC-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN Nc1cccc(C(=O)c2cccs2)c1 ZINC000032010159 181742673 /nfs/dbraw/zinc/74/26/73/181742673.db2.gz NAOSAFFBRSHIPI-UHFFFAOYSA-N 0 0 203.266 2.561 50 0 BFAARN Nc1ccccc1-c1n[nH]c2c1CCCC2 ZINC000032628094 181751308 /nfs/dbraw/zinc/75/13/08/181751308.db2.gz KOUNBWUWLWXVRW-UHFFFAOYSA-N 0 0 213.284 2.538 50 0 BFAARN Nc1ccccc1-n1cnc2ccccc21 ZINC000002538825 181751681 /nfs/dbraw/zinc/75/16/81/181751681.db2.gz VVRSJOPEQZUTBU-UHFFFAOYSA-N 0 0 209.252 2.608 50 0 BFAARN Nc1ccccc1-c1nc(-c2ccccc2)no1 ZINC000004710110 181751865 /nfs/dbraw/zinc/75/18/65/181751865.db2.gz BEKMTRPOJAKFPZ-UHFFFAOYSA-N 0 0 237.262 2.986 50 0 BFAARN Nc1ccccc1C(=O)Cc1ccccc1 ZINC000001059491 181752226 /nfs/dbraw/zinc/75/22/26/181752226.db2.gz SHCZEDMZASVGHP-UHFFFAOYSA-N 0 0 211.264 2.694 50 0 BFAARN FC(F)c1cnc(N[C@@H]2C[C@H]3C[C@H]3C2)nc1 ZINC000335179583 371531480 /nfs/dbraw/zinc/53/14/80/371531480.db2.gz WEINVEJCCRFZJW-SRSLHRDFSA-N 0 0 225.242 2.625 50 0 BFAARN CC(=O)c1nccn1Cc1cccc(Cl)c1 ZINC000225543681 371554527 /nfs/dbraw/zinc/55/45/27/371554527.db2.gz NYYVPDFHOGSYJB-UHFFFAOYSA-N 0 0 234.686 2.787 50 0 BFAARN Cc1occc1SCc1nnc(C2CC2)[nH]1 ZINC000131310627 371583198 /nfs/dbraw/zinc/58/31/98/371583198.db2.gz ROWSRIRAVAGFRC-UHFFFAOYSA-N 0 0 235.312 2.876 50 0 BFAARN O=C1CCCC[C@@H]1[C@@H](O)c1ccc(F)cc1 ZINC000028294565 371592065 /nfs/dbraw/zinc/59/20/65/371592065.db2.gz DGXAHHNBPVFSJS-AAEUAGOBSA-N 0 0 222.259 2.618 50 0 BFAARN Cc1cc(C(=O)NCc2ccco2)sc1C ZINC000002731007 371642286 /nfs/dbraw/zinc/64/22/86/371642286.db2.gz DCTXCUPLONIUFJ-UHFFFAOYSA-N 0 0 235.308 2.888 50 0 BFAARN Nn1c2ccccc2n2cc(-c3ccccc3)nc12 ZINC000000444783 181823243 /nfs/dbraw/zinc/82/32/43/181823243.db2.gz CPJXBYXIUIIRKF-UHFFFAOYSA-N 0 0 248.289 2.670 50 0 BFAARN O=C(OCc1cccs1)c1ccco1 ZINC000003258389 371931700 /nfs/dbraw/zinc/93/17/00/371931700.db2.gz LZRWNUHWWOKSSY-UHFFFAOYSA-N 0 0 208.238 2.698 50 0 BFAARN O=C(/C=C/c1cccs1)Nc1nccs1 ZINC000002736276 181845029 /nfs/dbraw/zinc/84/50/29/181845029.db2.gz HXJMWXZUPOLKIM-ONEGZZNKSA-N 0 0 236.321 2.857 50 0 BFAARN CCCCOC(=O)c1ccc(-n2ccnc2)cc1 ZINC000003833030 372075327 /nfs/dbraw/zinc/07/53/27/372075327.db2.gz QMVKQJKVSRTURI-UHFFFAOYSA-N 0 0 244.294 2.829 50 0 BFAARN CC/C=C\CCn1nc(Br)nc1C ZINC000606444250 372104322 /nfs/dbraw/zinc/10/43/22/372104322.db2.gz MARZRFLNXLVNBM-PLNGDYQASA-N 0 0 244.136 2.705 50 0 BFAARN C/C(=C(\F)C(=O)Nc1ccc(O)cc1)C1CC1 ZINC000606445913 372104731 /nfs/dbraw/zinc/10/47/31/372104731.db2.gz PDEHIUYBAWKASM-XYOKQWHBSA-N 0 0 235.258 2.984 50 0 BFAARN Clc1ncn(C23CC4CC(CC(C4)C2)C3)n1 ZINC000004257590 372186163 /nfs/dbraw/zinc/18/61/63/372186163.db2.gz XVZCJDUIUBSIKJ-UHFFFAOYSA-N 0 0 237.734 2.857 50 0 BFAARN O=C(CCC1CCCCC1)CC1OCCO1 ZINC000085652299 181907573 /nfs/dbraw/zinc/90/75/73/181907573.db2.gz AHEIMZRJTVNJCX-UHFFFAOYSA-N 0 0 226.316 2.679 50 0 BFAARN O=C(c1n[nH]c2ccccc21)N1CCCCCC1 ZINC000008181514 372504163 /nfs/dbraw/zinc/50/41/63/372504163.db2.gz MSXGSFIYMFKVKD-UHFFFAOYSA-N 0 0 243.310 2.579 50 0 BFAARN CSc1nnc(NCc2ccccc2)s1 ZINC000008192514 372525178 /nfs/dbraw/zinc/52/51/78/372525178.db2.gz FNWGNFCBJICGSG-UHFFFAOYSA-N 0 0 237.353 2.872 50 0 BFAARN O=C(CCc1ccccc1F)Nc1cccnc1 ZINC000019603669 181931415 /nfs/dbraw/zinc/93/14/15/181931415.db2.gz IYZLDZHPIVKQPY-UHFFFAOYSA-N 0 0 244.269 2.792 50 0 BFAARN Cc1ccc(NC(=O)c2ccccc2)c(O)c1 ZINC000008378795 372598683 /nfs/dbraw/zinc/59/86/83/372598683.db2.gz MIQLPFWSTBVVPR-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN CC(C)CCn1nc(-c2ccco2)ccc1=O ZINC000038790732 372770268 /nfs/dbraw/zinc/77/02/68/372770268.db2.gz VOXYXXZPIDJYQM-UHFFFAOYSA-N 0 0 232.283 2.549 50 0 BFAARN CCCc1c(C)c2ccccc2[nH]c1=O ZINC000008584474 372780843 /nfs/dbraw/zinc/78/08/43/372780843.db2.gz WITAVZMBKRKAHD-UHFFFAOYSA-N 0 0 201.269 2.789 50 0 BFAARN Cc1ccc(NC(=O)CCn2cccn2)c(C)c1 ZINC000008604792 372796800 /nfs/dbraw/zinc/79/68/00/372796800.db2.gz FMLKTYPTZQDWCZ-UHFFFAOYSA-N 0 0 243.310 2.529 50 0 BFAARN O=C(CNc1ccccc1)N1CCCCCCC1 ZINC000037389963 181983299 /nfs/dbraw/zinc/98/32/99/181983299.db2.gz WGQAHOZHQUTXAH-UHFFFAOYSA-N 0 0 246.354 2.891 50 0 BFAARN O=C(COc1ccccc1)NCC1CCCCC1 ZINC000000388983 182002730 /nfs/dbraw/zinc/00/27/30/182002730.db2.gz WBJVENNSWCXEPN-UHFFFAOYSA-N 0 0 247.338 2.762 50 0 BFAARN O=C(COc1ccccc1)Oc1ccccc1 ZINC000000441956 182002916 /nfs/dbraw/zinc/00/29/16/182002916.db2.gz PJANUNZPZUHMPM-UHFFFAOYSA-N 0 0 228.247 2.671 50 0 BFAARN O=C(COc1ccccc1)Nc1ccccc1 ZINC000000390000 182003447 /nfs/dbraw/zinc/00/34/47/182003447.db2.gz VDLGLFVMQUNFST-UHFFFAOYSA-N 0 0 227.263 2.704 50 0 BFAARN O=C(CSc1nncs1)c1cccs1 ZINC000007814564 182012477 /nfs/dbraw/zinc/01/24/77/182012477.db2.gz XMQAYSMOSONXDX-UHFFFAOYSA-N 0 0 242.350 2.575 50 0 BFAARN O=C(C[C@@H]1C(=O)Nc2ccccc21)c1ccco1 ZINC000009485667 182012723 /nfs/dbraw/zinc/01/27/23/182012723.db2.gz TXSDIDNEDFBHLE-JTQLQIEISA-N 0 0 241.246 2.588 50 0 BFAARN O=C(C[C@@H]1C=CCC1)NCc1cccs1 ZINC000032739222 182013986 /nfs/dbraw/zinc/01/39/86/182013986.db2.gz DNFTXZLHSJRXPJ-SNVBAGLBSA-N 0 0 221.325 2.721 50 0 BFAARN O=C(C[C@H]1C(=O)Nc2ccccc21)c1ccco1 ZINC000101471717 182023292 /nfs/dbraw/zinc/02/32/92/182023292.db2.gz TXSDIDNEDFBHLE-SNVBAGLBSA-N 0 0 241.246 2.588 50 0 BFAARN CCCCN1Cc2c3ccccc3[nH]c2C1=O ZINC000071774169 168834941 /nfs/dbraw/zinc/83/49/41/168834941.db2.gz QUKPWILUIYSKCF-UHFFFAOYSA-N 0 0 228.295 2.924 50 0 BFAARN O=C(Cc1cccc(F)c1)Nc1ccccc1O ZINC000009502599 182042427 /nfs/dbraw/zinc/04/24/27/182042427.db2.gz XPIPRWSXOYFIEC-UHFFFAOYSA-N 0 0 245.253 2.713 50 0 BFAARN CCCC(=O)Nc1nonc1-c1ccc(C)cc1 ZINC000008915697 373102403 /nfs/dbraw/zinc/10/24/03/373102403.db2.gz QQCIEUUZDUOEBP-UHFFFAOYSA-N 0 0 245.282 2.784 50 0 BFAARN CC(C)c1cccnc1Br ZINC000141932429 373071071 /nfs/dbraw/zinc/07/10/71/373071071.db2.gz JEBINPKMSQABNA-UHFFFAOYSA-N 0 0 200.079 2.968 50 0 BFAARN O=C(N1CCCCC1)C1(c2ccc(F)cc2)CC1 ZINC000021695391 182080395 /nfs/dbraw/zinc/08/03/95/182080395.db2.gz SAZWHMCGMIEEED-UHFFFAOYSA-N 0 0 247.313 2.870 50 0 BFAARN COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000035939842 205464805 /nfs/dbraw/zinc/46/48/05/205464805.db2.gz COSNGNOZECLPTG-GBIKHYSHSA-N 0 0 233.311 2.528 50 0 BFAARN CC(C)CSc1nnc(-c2ccco2)n1C ZINC000041294538 205466487 /nfs/dbraw/zinc/46/64/87/205466487.db2.gz JBSOZHCOGFJGKX-UHFFFAOYSA-N 0 0 237.328 2.823 50 0 BFAARN Cn1cnnc1SCc1ccc(Cl)s1 ZINC000040456919 373276245 /nfs/dbraw/zinc/27/62/45/373276245.db2.gz YLWVWFVAHGZGQE-UHFFFAOYSA-N 0 0 245.760 2.822 50 0 BFAARN O=C(NC1C2CC3CC(C2)CC1C3)C1CCC1 ZINC000007037126 182093419 /nfs/dbraw/zinc/09/34/19/182093419.db2.gz UCYIBKMEKLKQLB-UHFFFAOYSA-N 0 0 233.355 2.727 50 0 BFAARN O=C(NC1CC1)C1(c2ccccc2)CCCC1 ZINC000002512589 182094273 /nfs/dbraw/zinc/09/42/73/182094273.db2.gz XBOGLIQADCCLJK-UHFFFAOYSA-N 0 0 229.323 2.777 50 0 BFAARN O=C(NC1(c2ccc(F)cc2)CC1)c1ccco1 ZINC000041564693 182090416 /nfs/dbraw/zinc/09/04/16/182090416.db2.gz SOEIVPAEVJUYBB-UHFFFAOYSA-N 0 0 245.253 2.838 50 0 BFAARN O=C(NC1CC1)c1ccc(Cl)cc1Cl ZINC000000037709 182100568 /nfs/dbraw/zinc/10/05/68/182100568.db2.gz LEOBSYFLYDGHRO-UHFFFAOYSA-N 0 0 230.094 2.886 50 0 BFAARN O=C(NC1CC1)c1cccnc1-c1ccsc1 ZINC000032541620 182100976 /nfs/dbraw/zinc/10/09/76/182100976.db2.gz YKCQYNOKVPNNHB-UHFFFAOYSA-N 0 0 244.319 2.702 50 0 BFAARN O=C(NC1CCC(F)(F)CC1)C1CC=CC1 ZINC000336602959 182101633 /nfs/dbraw/zinc/10/16/33/182101633.db2.gz FSTSKKJSFDKOOO-UHFFFAOYSA-N 0 0 229.270 2.647 50 0 BFAARN O=C(NC1CC1)c1cc(F)ccc1-n1cccc1 ZINC000032087533 182099412 /nfs/dbraw/zinc/09/94/12/182099412.db2.gz OCRVLUBMLVYCFD-UHFFFAOYSA-N 0 0 244.269 2.509 50 0 BFAARN O=C(NC1CC1)c1ccc(-c2ccccc2F)o1 ZINC000008304096 182099709 /nfs/dbraw/zinc/09/97/09/182099709.db2.gz YZACURFXQLGLOR-UHFFFAOYSA-N 0 0 245.253 2.978 50 0 BFAARN O=C(NC1CC1)c1cc(Cl)ccc1Cl ZINC000000476193 182100141 /nfs/dbraw/zinc/10/01/41/182100141.db2.gz GVNGNFRWLJCEGR-UHFFFAOYSA-N 0 0 230.094 2.886 50 0 BFAARN O=C(NC1CCCCC1)C(Cl)(Cl)Cl ZINC000000254992 182111885 /nfs/dbraw/zinc/11/18/85/182111885.db2.gz JFRFGCASIOOBDA-UHFFFAOYSA-N 0 0 244.549 2.806 50 0 BFAARN O=C(NC1CCCCC1)c1cc(C2CC2)on1 ZINC000002497937 182112389 /nfs/dbraw/zinc/11/23/89/182112389.db2.gz FRCIYEULNJCLEJ-UHFFFAOYSA-N 0 0 234.299 2.615 50 0 BFAARN O=C(NC1CC1)NC1CCCCCCC1 ZINC000048844720 182114531 /nfs/dbraw/zinc/11/45/31/182114531.db2.gz UNVAOEDKYIWROD-UHFFFAOYSA-N 0 0 210.321 2.561 50 0 BFAARN COCc1cccc(NC(=O)CC(F)(F)F)c1 ZINC000040500936 373358890 /nfs/dbraw/zinc/35/88/90/373358890.db2.gz AZJWBAJNKXVXNH-UHFFFAOYSA-N 0 0 247.216 2.724 50 0 BFAARN O=C(NC1CCCC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000182973 182109832 /nfs/dbraw/zinc/10/98/32/182109832.db2.gz WNIHXHZBQPHZTC-ZIAGYGMSSA-N 0 0 229.323 2.849 50 0 BFAARN O=C(NC1CCCC1)c1cc(Cl)ccc1O ZINC000012926989 182110551 /nfs/dbraw/zinc/11/05/51/182110551.db2.gz SORJCZIQJVETDA-UHFFFAOYSA-N 0 0 239.702 2.718 50 0 BFAARN O=C(NC1CCCC1)c1ccc(F)c(F)c1 ZINC000012867978 182110907 /nfs/dbraw/zinc/11/09/07/182110907.db2.gz WSDKODWFGGVLFP-UHFFFAOYSA-N 0 0 225.238 2.637 50 0 BFAARN O=C(NC1CCCCCC1)c1ccncc1 ZINC000003411384 182114962 /nfs/dbraw/zinc/11/49/62/182114962.db2.gz SWGLMPGPBDJCGN-UHFFFAOYSA-N 0 0 218.300 2.534 50 0 BFAARN O=C(NCC1CC1)Nc1ccc(Cl)cc1 ZINC000000157608 182139093 /nfs/dbraw/zinc/13/90/93/182139093.db2.gz KARSIZRBAITNIW-UHFFFAOYSA-N 0 0 224.691 2.872 50 0 BFAARN O=C(NCC1CC1)c1cc2ccccc2cc1O ZINC000013005286 182139726 /nfs/dbraw/zinc/13/97/26/182139726.db2.gz SUVJSPIMJAZVIC-UHFFFAOYSA-N 0 0 241.290 2.685 50 0 BFAARN O=C(NCCC1=CCCCC1)c1ccccn1 ZINC000048325818 182153021 /nfs/dbraw/zinc/15/30/21/182153021.db2.gz RAAZASTZFWUZNJ-UHFFFAOYSA-N 0 0 230.311 2.702 50 0 BFAARN O=C(NCCCc1ccccc1)c1ccco1 ZINC000002773758 182176128 /nfs/dbraw/zinc/17/61/28/182176128.db2.gz IISDEHQJVSTNMU-UHFFFAOYSA-N 0 0 229.279 2.642 50 0 BFAARN Cn1c(C(=O)N2CCCC2)cc2ccc(F)cc21 ZINC000040789149 373729862 /nfs/dbraw/zinc/72/98/62/373729862.db2.gz FQNIXPBOAZESOV-UHFFFAOYSA-N 0 0 246.285 2.553 50 0 BFAARN CCCCNC(=O)N1CCc2ccccc2C1 ZINC000004171247 168850265 /nfs/dbraw/zinc/85/02/65/168850265.db2.gz MPGHTXLKWNDCHB-UHFFFAOYSA-N 0 0 232.327 2.554 50 0 BFAARN O=C(NCCc1ccccc1)OCC(F)(F)F ZINC000058024660 182203954 /nfs/dbraw/zinc/20/39/54/182203954.db2.gz QARKAUDQKWNUHX-UHFFFAOYSA-N 0 0 247.216 2.518 50 0 BFAARN O=C(NCCc1ccccc1F)[C@@H]1CC=CCC1 ZINC000032676244 182204088 /nfs/dbraw/zinc/20/40/88/182204088.db2.gz KNNBRCSZICAAGB-CYBMUJFWSA-N 0 0 247.313 2.841 50 0 BFAARN O=C(NCCc1ccccc1F)c1ccsc1 ZINC000022662733 182204501 /nfs/dbraw/zinc/20/45/01/182204501.db2.gz RPLFCANBKJBFCT-UHFFFAOYSA-N 0 0 249.310 2.860 50 0 BFAARN O=C(NCc1cccc(Cl)c1)c1cccnc1 ZINC000001052355 182252816 /nfs/dbraw/zinc/25/28/16/182252816.db2.gz MMZFFPSIIQHAJA-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN O=C(NCc1cccc(Cl)c1)c1ccco1 ZINC000001054747 182254211 /nfs/dbraw/zinc/25/42/11/182254211.db2.gz SKRUZMQRWFAEPX-UHFFFAOYSA-N 0 0 235.670 2.863 50 0 BFAARN O=C(NCc1cccs1)c1ccccc1 ZINC000000126538 182264219 /nfs/dbraw/zinc/26/42/19/182264219.db2.gz XUHDXDZZNBMHCB-UHFFFAOYSA-N 0 0 217.293 2.678 50 0 BFAARN O=C(NCc1ccncc1)Nc1ccc(F)cc1 ZINC000000472136 182264460 /nfs/dbraw/zinc/26/44/60/182264460.db2.gz VRACOZNWSSHEAU-UHFFFAOYSA-N 0 0 245.257 2.542 50 0 BFAARN O=C(NCc1cccs1)c1ccc(F)cc1 ZINC000000155363 182264874 /nfs/dbraw/zinc/26/48/74/182264874.db2.gz QFRIFIILJSMAKU-UHFFFAOYSA-N 0 0 235.283 2.817 50 0 BFAARN O=C(NCc1ccccc1)[C@@H]1CC=CCC1 ZINC000040457520 182255718 /nfs/dbraw/zinc/25/57/18/182255718.db2.gz NYFZHOMYYBOKHW-CYBMUJFWSA-N 0 0 215.296 2.659 50 0 BFAARN O=C(NCc1ccccc1)c1ccsc1 ZINC000016740025 182256990 /nfs/dbraw/zinc/25/69/90/182256990.db2.gz XOKGTSIZQGDDIQ-UHFFFAOYSA-N 0 0 217.293 2.678 50 0 BFAARN O=C(NCc1ccccc1F)[C@@H]1CC=CCC1 ZINC000009218188 182257628 /nfs/dbraw/zinc/25/76/28/182257628.db2.gz IFTKJLBABJJPFT-LLVKDONJSA-N 0 0 233.286 2.798 50 0 BFAARN O=C(NCc1ccccc1OC1CCC1)C1CC1 ZINC000096411096 182257887 /nfs/dbraw/zinc/25/78/87/182257887.db2.gz SRHZVFOPRQJJLA-UHFFFAOYSA-N 0 0 245.322 2.644 50 0 BFAARN COC[C@H](C)NC(=O)c1ccc2ccccc2c1 ZINC000010109371 374274173 /nfs/dbraw/zinc/27/41/73/374274173.db2.gz IQBJVTBGQILHDJ-NSHDSACASA-N 0 0 243.306 2.605 50 0 BFAARN O=C(NCc1ccco1)C1(c2ccccc2)CC1 ZINC000023239191 182260501 /nfs/dbraw/zinc/26/05/01/182260501.db2.gz PFYRKLDQYWXPSP-UHFFFAOYSA-N 0 0 241.290 2.628 50 0 BFAARN O=C(NCc1ccco1)c1ccccc1Cl ZINC000000063655 182262681 /nfs/dbraw/zinc/26/26/81/182262681.db2.gz QFDLCOYOHBVXFY-UHFFFAOYSA-N 0 0 235.670 2.863 50 0 BFAARN CS[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000042828798 374291203 /nfs/dbraw/zinc/29/12/03/374291203.db2.gz WPRVRMDTLNMXSH-MNOVXSKESA-N 0 0 237.368 2.924 50 0 BFAARN O=C(NCc1ccoc1)Nc1ccccc1F ZINC000047698689 182267751 /nfs/dbraw/zinc/26/77/51/182267751.db2.gz BMLKWBSGZIMIPB-UHFFFAOYSA-N 0 0 234.230 2.740 50 0 BFAARN Brc1nccc2c1CCCC2 ZINC000095931119 206044250 /nfs/dbraw/zinc/04/42/50/206044250.db2.gz VRXOMWJRDOUVDX-UHFFFAOYSA-N 0 0 212.090 2.723 50 0 BFAARN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1 ZINC000084544029 182310349 /nfs/dbraw/zinc/31/03/49/182310349.db2.gz XUJCZHUPQVBGRA-CYZMBNFOSA-N 0 0 221.344 2.872 50 0 BFAARN O=C(N[C@@H]1CCCc2ccccc21)C1CCC1 ZINC000003560053 182300077 /nfs/dbraw/zinc/30/00/77/182300077.db2.gz QRSYQUNEXRKMQV-CQSZACIVSA-N 0 0 229.323 2.980 50 0 BFAARN CCCCNC(=O)c1cccc(NC(=O)CC)c1 ZINC000012138807 168863460 /nfs/dbraw/zinc/86/34/60/168863460.db2.gz WAHGNIIASUUJPK-UHFFFAOYSA-N 0 0 248.326 2.565 50 0 BFAARN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000016037386 182318161 /nfs/dbraw/zinc/31/81/61/182318161.db2.gz PNDHLCFURACDRW-LSDHHAIUSA-N 0 0 237.302 2.973 50 0 BFAARN CCCCNC(=O)c1ccccc1NC(=O)CC ZINC000004814352 168864469 /nfs/dbraw/zinc/86/44/69/168864469.db2.gz TWGUNLSWPDJTEB-UHFFFAOYSA-N 0 0 248.326 2.565 50 0 BFAARN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000016037385 182343899 /nfs/dbraw/zinc/34/38/99/182343899.db2.gz PNDHLCFURACDRW-CABCVRRESA-N 0 0 237.302 2.973 50 0 BFAARN O=C(N[C@H]1CCCc2ccccc21)C1CC1 ZINC000005442889 182334138 /nfs/dbraw/zinc/33/41/38/182334138.db2.gz POWZJPWFNIZOSW-ZDUSSCGKSA-N 0 0 215.296 2.590 50 0 BFAARN O=C(N[C@H]1CCSC1)c1cccc(Cl)c1 ZINC000000141789 182338578 /nfs/dbraw/zinc/33/85/78/182338578.db2.gz SMUALVGEAPIQET-JTQLQIEISA-N 0 0 241.743 2.575 50 0 BFAARN O=C(N[C@H]1COC2(C1)CCCCC2)c1ccco1 ZINC000065525510 182342300 /nfs/dbraw/zinc/34/23/00/182342300.db2.gz ATZIQQCSDBKIHY-LLVKDONJSA-N 0 0 249.310 2.501 50 0 BFAARN O=C(Nc1c[nH]cn1)Nc1ccc(Cl)cc1 ZINC000225552428 182352768 /nfs/dbraw/zinc/35/27/68/182352768.db2.gz HQOGDTZMHYRKRP-UHFFFAOYSA-N 0 0 236.662 2.707 50 0 BFAARN O=C(Nc1ccc(Cl)cc1)Nc1ncccn1 ZINC000000392370 182352910 /nfs/dbraw/zinc/35/29/10/182352910.db2.gz MXJHNLOYYPEQHJ-UHFFFAOYSA-N 0 0 248.673 2.774 50 0 BFAARN O=C(Nc1ccc(F)cc1)c1cncs1 ZINC000004728154 182357367 /nfs/dbraw/zinc/35/73/67/182357367.db2.gz PNTUVYCZTTXVDF-UHFFFAOYSA-N 0 0 222.244 2.535 50 0 BFAARN O=C(Nc1ccc(O)cc1)c1ccccc1F ZINC000000295812 182360928 /nfs/dbraw/zinc/36/09/28/182360928.db2.gz AKKFSDWDYOTCTP-UHFFFAOYSA-N 0 0 231.226 2.784 50 0 BFAARN O=C(Nc1ccc2c(c1)CCC2)c1ccccn1 ZINC000003314302 182363952 /nfs/dbraw/zinc/36/39/52/182363952.db2.gz UTXITRJDYLLABO-UHFFFAOYSA-N 0 0 238.290 2.823 50 0 BFAARN O=C(Nc1ccc2ccccc2c1)c1cnccn1 ZINC000000227875 182364972 /nfs/dbraw/zinc/36/49/72/182364972.db2.gz APRJAJPTHIYMSN-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1ccccc1F)[C@H]1CCCS1 ZINC000082324141 182378958 /nfs/dbraw/zinc/37/89/58/182378958.db2.gz WIVDTQFQQKNQRT-SNVBAGLBSA-N 0 0 225.288 2.660 50 0 BFAARN O=C(Nc1ccccc1)c1ccccc1O ZINC000000002057 182378189 /nfs/dbraw/zinc/37/81/89/182378189.db2.gz WKEDVNSFRWHDNR-UHFFFAOYSA-N 0 0 213.236 2.645 50 0 in-man BFAARN O=C(Nc1cccc2nsnc21)c1ccco1 ZINC000000104082 182374042 /nfs/dbraw/zinc/37/40/42/182374042.db2.gz DITCUMMKUXZFIY-UHFFFAOYSA-N 0 0 245.263 2.537 50 0 BFAARN O=C(Nc1cccnc1)c1ccc(Cl)cc1 ZINC000000092075 182384247 /nfs/dbraw/zinc/38/42/47/182384247.db2.gz BGSUATYDORXBCT-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1cnc2ccccc2c1)c1ccncc1 ZINC000001512201 182392351 /nfs/dbraw/zinc/39/23/51/182392351.db2.gz XAAUKWVHFNDWSO-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN CCOC(=O)CCCCCC(=O)C(C)C ZINC000034291207 170198577 /nfs/dbraw/zinc/19/85/77/170198577.db2.gz MDUYTVHVDUOISU-UHFFFAOYSA-N 0 0 214.305 2.725 50 0 BFAARN O=C(OCCCC(F)(F)F)c1cscn1 ZINC000157540415 182602089 /nfs/dbraw/zinc/60/20/89/182602089.db2.gz JJWKFNVOVHMRDO-UHFFFAOYSA-N 0 0 239.218 2.642 50 0 BFAARN O=C([C@H]1CC12CCC2)N1CCc2ccccc21 ZINC000000027602 182633647 /nfs/dbraw/zinc/63/36/47/182633647.db2.gz HVVOCGTVQAUZNY-GFCCVEGCSA-N 0 0 227.307 2.766 50 0 BFAARN O=C(c1ncco1)c1ccc(Cl)cc1 ZINC000085651116 182657966 /nfs/dbraw/zinc/65/79/66/182657966.db2.gz ARNJPEUSZIHOQW-UHFFFAOYSA-N 0 0 207.616 2.559 50 0 BFAARN O=C(c1ccncc1)c1cc(F)ccc1F ZINC000036940293 182689270 /nfs/dbraw/zinc/68/92/70/182689270.db2.gz QCICHYIROXZUQG-UHFFFAOYSA-N 0 0 219.190 2.591 50 0 BFAARN O=C1CCOc2c1cccc2C(F)(F)F ZINC000064034219 182744628 /nfs/dbraw/zinc/74/46/28/182744628.db2.gz OQGMJRUOBDTBBF-UHFFFAOYSA-N 0 0 216.158 2.671 50 0 BFAARN O=C1CCc2sc(Br)cc21 ZINC000082369408 182757333 /nfs/dbraw/zinc/75/73/33/182757333.db2.gz YSGWNYYXJIIWDG-UHFFFAOYSA-N 0 0 217.087 2.640 50 0 BFAARN O=C1C[C@H](c2ccccc2)c2ccc(O)cc2N1 ZINC000066089335 182785765 /nfs/dbraw/zinc/78/57/65/182785765.db2.gz QBMKHRHNYHHUAR-CYBMUJFWSA-N 0 0 239.274 2.866 50 0 BFAARN CCOC(=O)c1[nH]c(C)c(Br)c1C ZINC000000158979 170286387 /nfs/dbraw/zinc/28/63/87/170286387.db2.gz POLBZQUAKJYNIF-UHFFFAOYSA-N 0 0 246.104 2.571 50 0 BFAARN O=C1c2ccccc2C(=O)N1c1cccc(F)c1 ZINC000000041117 182844624 /nfs/dbraw/zinc/84/46/24/182844624.db2.gz MBSFDPUISUFTPI-UHFFFAOYSA-N 0 0 241.221 2.626 50 0 BFAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000100056857 182841508 /nfs/dbraw/zinc/84/15/08/182841508.db2.gz KEYGOTKLCRWNDY-TXEJJXNPSA-N 0 0 247.269 2.505 50 0 BFAARN O=Cc1c(Cl)cnc(Cl)c1Cl ZINC000014983658 182859100 /nfs/dbraw/zinc/85/91/00/182859100.db2.gz RZNIINCSHCFUNN-UHFFFAOYSA-N 0 0 210.447 2.854 50 0 BFAARN O=Cc1ccc(F)c(OC(F)(F)F)c1 ZINC000012359174 182868154 /nfs/dbraw/zinc/86/81/54/182868154.db2.gz CGOFJJTXLIWONB-UHFFFAOYSA-N 0 0 208.110 2.537 50 0 BFAARN O=N[C@@H]1Nc2c(cc(Cl)cc2Cl)C1=O ZINC000004182256 182879350 /nfs/dbraw/zinc/87/93/50/182879350.db2.gz HDJXIKRIECBEEO-QMMMGPOBSA-N 0 0 231.038 2.694 50 0 BFAARN O=S1(=O)[C@H]2C=C(Cc3ccccc3)[C@@H]1CCC2 ZINC000002187137 182916021 /nfs/dbraw/zinc/91/60/21/182916021.db2.gz FIEQUNLYMBGYDG-KGLIPLIRSA-N 0 0 248.347 2.505 50 0 BFAARN CCCCOc1ncc(O)cc1Cl ZINC000261494255 168921061 /nfs/dbraw/zinc/92/10/61/168921061.db2.gz SUOLHDCTKMYCKK-UHFFFAOYSA-N 0 0 201.653 2.620 50 0 BFAARN CCCCOc1cccc(NCCCO)c1 ZINC000095411971 168919543 /nfs/dbraw/zinc/91/95/43/168919543.db2.gz RAESDITUZNPEJN-UHFFFAOYSA-N 0 0 223.316 2.660 50 0 BFAARN O=c1cc(C(F)(F)F)oc2ccccc12 ZINC000000112298 182992701 /nfs/dbraw/zinc/99/27/01/182992701.db2.gz ABPAKMJTQTVEDR-UHFFFAOYSA-N 0 0 214.142 2.812 50 0 BFAARN O=c1cc[nH]c2c(Cl)c(Cl)ccc12 ZINC000006590882 182998045 /nfs/dbraw/zinc/99/80/45/182998045.db2.gz BAKZFDCDUQGTCL-UHFFFAOYSA-N 0 0 214.051 2.835 50 0 BFAARN O=c1oc(-c2ccco2)c(-c2ccco2)o1 ZINC000006667844 183011712 /nfs/dbraw/zinc/01/17/12/183011712.db2.gz BKSIYERSQKEAPG-UHFFFAOYSA-N 0 0 218.164 2.753 50 0 BFAARN O=c1onc(-c2ccccc2)c2ccccc12 ZINC000000144008 183012995 /nfs/dbraw/zinc/01/29/95/183012995.db2.gz FUSZISDRVACNBS-UHFFFAOYSA-N 0 0 223.231 2.855 50 0 BFAARN O=c1sccn1Cc1cccc(Cl)c1 ZINC000075146006 183014081 /nfs/dbraw/zinc/01/40/81/183014081.db2.gz NTGDFJLLNZAONK-UHFFFAOYSA-N 0 0 225.700 2.612 50 0 BFAARN OCCCNc1ccnc2ccc(Cl)cc21 ZINC000041474793 183060369 /nfs/dbraw/zinc/06/03/69/183060369.db2.gz COPSPXCYVINXCL-UHFFFAOYSA-N 0 0 236.702 2.683 50 0 BFAARN OCCCOc1ccccc1-c1nccs1 ZINC000170087060 183061251 /nfs/dbraw/zinc/06/12/51/183061251.db2.gz AXKAGVWFEGUPMX-UHFFFAOYSA-N 0 0 235.308 2.571 50 0 BFAARN OCCCSc1ccc(Br)cc1 ZINC000035114369 183063398 /nfs/dbraw/zinc/06/33/98/183063398.db2.gz RQMJZYLVSPXCFD-UHFFFAOYSA-N 0 0 247.157 2.924 50 0 BFAARN OCCCc1c[nH]c2ccc(Cl)cc12 ZINC000019772516 183063820 /nfs/dbraw/zinc/06/38/20/183063820.db2.gz DHBHGDMZFNCBSL-UHFFFAOYSA-N 0 0 209.676 2.746 50 0 BFAARN OCCCc1ccc(C(F)(F)F)cc1 ZINC000060701469 183064769 /nfs/dbraw/zinc/06/47/69/183064769.db2.gz RDCHJYSYGXHSQF-UHFFFAOYSA-N 0 0 204.191 2.630 50 0 BFAARN OCCSCc1ccc(Cl)cc1 ZINC000002163756 183089817 /nfs/dbraw/zinc/08/98/17/183089817.db2.gz DKNBCVYGWWWYEP-UHFFFAOYSA-N 0 0 202.706 2.566 50 0 BFAARN OC[C@@H](F)Sc1nc2ccccc2s1 ZINC000001383755 183108257 /nfs/dbraw/zinc/10/82/57/183108257.db2.gz MWRUARLTYWJLAR-QMMMGPOBSA-N 0 0 229.301 2.676 50 0 BFAARN CCCCc1cc(NC(=O)c2cc(C)no2)on1 ZINC000081760834 169018490 /nfs/dbraw/zinc/01/84/90/169018490.db2.gz IEEQDYQYIQKUOO-UHFFFAOYSA-N 0 0 249.270 2.566 50 0 BFAARN CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1 ZINC000005424253 169024581 /nfs/dbraw/zinc/02/45/81/169024581.db2.gz YRWLZFXJFBZBEY-UHFFFAOYSA-N 0 0 247.298 2.506 50 0 in-man BFAARN CCCCc1nnc(-c2ccccc2N)o1 ZINC000006697341 169027047 /nfs/dbraw/zinc/02/70/47/169027047.db2.gz GJKJLOXWCPORFC-UHFFFAOYSA-N 0 0 217.272 2.661 50 0 BFAARN CCCCc1nncn1-c1ccc(OC)cc1 ZINC000067772161 169028693 /nfs/dbraw/zinc/02/86/93/169028693.db2.gz BQUXKRJCICBMEZ-UHFFFAOYSA-N 0 0 231.299 2.619 50 0 BFAARN CCCCc1nnc(NCc2cccnc2)s1 ZINC000096494331 169029124 /nfs/dbraw/zinc/02/91/24/169029124.db2.gz FOECOCAZXOPXIH-UHFFFAOYSA-N 0 0 248.355 2.888 50 0 BFAARN CCCCn1c2ccccc2nc1CCCO ZINC000002279930 169034079 /nfs/dbraw/zinc/03/40/79/169034079.db2.gz RGWOPEVAGWCRTP-UHFFFAOYSA-N 0 0 232.327 2.761 50 0 BFAARN CCCCn1c2ccccc2nc1[C@H](C)O ZINC000013154517 169035365 /nfs/dbraw/zinc/03/53/65/169035365.db2.gz RBPXNOGQNHZOLH-JTQLQIEISA-N 0 0 218.300 2.890 50 0 BFAARN CCCCn1cnc2ccc(C(=O)OC)cc21 ZINC000095495628 169037275 /nfs/dbraw/zinc/03/72/75/169037275.db2.gz CGNCAMUTIRSJPD-UHFFFAOYSA-N 0 0 232.283 2.623 50 0 BFAARN OCc1c(Cl)cccc1Br ZINC000090411453 183160243 /nfs/dbraw/zinc/16/02/43/183160243.db2.gz DSQZWWJHMYCKSE-UHFFFAOYSA-N 0 0 221.481 2.595 50 0 BFAARN OCc1c(Cl)nc(Cl)n1-c1ccccc1 ZINC000036379631 183160886 /nfs/dbraw/zinc/16/08/86/183160886.db2.gz ANQUTOMYTAUQOJ-UHFFFAOYSA-N 0 0 243.093 2.671 50 0 BFAARN OCc1cc(Cl)ccc1OC(F)(F)F ZINC000071867306 183161294 /nfs/dbraw/zinc/16/12/94/183161294.db2.gz JIVPVUAGDRWIBR-UHFFFAOYSA-N 0 0 226.581 2.731 50 0 BFAARN CCCN(C(=O)COCC)c1cccc(C)c1 ZINC000009095485 169042670 /nfs/dbraw/zinc/04/26/70/169042670.db2.gz MTJMRVAYRKFIJL-UHFFFAOYSA-N 0 0 235.327 2.775 50 0 BFAARN OCc1ccc(C(F)(F)F)cc1Cl ZINC000002540213 183163038 /nfs/dbraw/zinc/16/30/38/183163038.db2.gz GMZPPTCATYZORA-UHFFFAOYSA-N 0 0 210.582 2.851 50 0 BFAARN OC[C@H](Oc1ccccc1)c1ccccc1 ZINC000004824071 183144986 /nfs/dbraw/zinc/14/49/86/183144986.db2.gz NXTGLBMUSIXDDI-AWEZNQCLSA-N 0 0 214.264 2.799 50 0 BFAARN CCCN(C(=O)c1cccs1)C1CC1 ZINC000082425019 169048178 /nfs/dbraw/zinc/04/81/78/169048178.db2.gz NBLRMQARRUTIFT-UHFFFAOYSA-N 0 0 209.314 2.763 50 0 BFAARN OCc1ccc(Oc2ccc(O)cc2)cc1 ZINC000044124384 183165740 /nfs/dbraw/zinc/16/57/40/183165740.db2.gz MIYIMXTTXSVQME-UHFFFAOYSA-N 0 0 216.236 2.677 50 0 BFAARN OCc1ccc(NCc2cccc(F)c2)cc1 ZINC000083358022 183166071 /nfs/dbraw/zinc/16/60/71/183166071.db2.gz PNZOVSHGJGIMTG-UHFFFAOYSA-N 0 0 231.270 2.930 50 0 BFAARN OCc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000049822120 183170318 /nfs/dbraw/zinc/17/03/18/183170318.db2.gz JVSQBBHTRWFLSM-UHFFFAOYSA-N 0 0 231.320 2.791 50 0 BFAARN O[C@@H](/C=C/c1ccccc1)c1cccnc1 ZINC000005162281 183172653 /nfs/dbraw/zinc/17/26/53/183172653.db2.gz VSRIZGGWJMIHIO-VFNNOXKTSA-N 0 0 211.264 2.828 50 0 BFAARN O[C@H](c1c[nH]c2ccccc21)c1ccccn1 ZINC000000119569 183185406 /nfs/dbraw/zinc/18/54/06/183185406.db2.gz XTNHYMXOUCGEHA-CQSZACIVSA-N 0 0 224.263 2.645 50 0 BFAARN O[C@H](c1c[nH]c2ccccc21)c1ccncc1 ZINC000000161468 183187098 /nfs/dbraw/zinc/18/70/98/183187098.db2.gz RKZFVUCRFYYPKI-AWEZNQCLSA-N 0 0 224.263 2.645 50 0 BFAARN O[C@H](c1ccc(Cl)cc1F)C1CC1 ZINC000070735944 183228942 /nfs/dbraw/zinc/22/89/42/183228942.db2.gz GOFWTQNPGNZQSH-JTQLQIEISA-N 0 0 200.640 2.923 50 0 BFAARN O[C@H](c1cccc(Cl)c1)C(F)(F)F ZINC000043367872 183229173 /nfs/dbraw/zinc/22/91/73/183229173.db2.gz IFUMGCOCVZUIRR-SSDOTTSWSA-N 0 0 210.582 2.936 50 0 BFAARN O[C@H](c1ccccc1)c1cccc(F)c1 ZINC000004255868 183229660 /nfs/dbraw/zinc/22/96/60/183229660.db2.gz ILYUNJUNPZKDOD-CYBMUJFWSA-N 0 0 202.228 2.907 50 0 BFAARN O[C@H](c1ccsc1)[C@H](O)c1ccsc1 ZINC000000480751 183230350 /nfs/dbraw/zinc/23/03/50/183230350.db2.gz IWYXQWCFZSLUJX-NXEZZACHSA-N 0 0 226.322 2.577 50 0 BFAARN O[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000000215426 183240489 /nfs/dbraw/zinc/24/04/89/183240489.db2.gz NAPPFWAXGCBELF-VIFPVBQESA-N 0 0 246.137 2.560 50 0 BFAARN O[C@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000044191675 183232332 /nfs/dbraw/zinc/23/23/32/183232332.db2.gz OZOOGFVOCPMNTN-STQMWFEESA-N 0 0 206.285 2.507 50 0 BFAARN O[C@H]1CCCC[C@H]1Oc1ccc(F)cc1F ZINC000037696130 183233555 /nfs/dbraw/zinc/23/35/55/183233555.db2.gz MYJIDMDCPYJRAE-CMPLNLGQSA-N 0 0 228.238 2.647 50 0 BFAARN Oc1ccc(-c2noc(-c3cccnc3)n2)cc1 ZINC000034956091 183266074 /nfs/dbraw/zinc/26/60/74/183266074.db2.gz ITZRJPURXTWICR-UHFFFAOYSA-N 0 0 239.234 2.504 50 0 BFAARN Oc1ccc(C(=S)NC2CCCCC2)cc1 ZINC000001120483 183268069 /nfs/dbraw/zinc/26/80/69/183268069.db2.gz ZLXBKFCPGOQCFS-UHFFFAOYSA-N 0 0 235.352 2.990 50 0 BFAARN Oc1ccc(Nc2nc(Cl)ncc2F)cc1 ZINC000114330027 183277055 /nfs/dbraw/zinc/27/70/55/183277055.db2.gz CYDSCLYUMWUVKT-UHFFFAOYSA-N 0 0 239.637 2.718 50 0 BFAARN CCCN(CCC)C(=O)CCc1ccccc1O ZINC000048251876 169142102 /nfs/dbraw/zinc/14/21/02/169142102.db2.gz PHVXZKGXQOHDDG-UHFFFAOYSA-N 0 0 249.354 2.973 50 0 BFAARN CCCN(CCC)C(=O)c1ccc2c(c1)OCO2 ZINC000000368951 169145344 /nfs/dbraw/zinc/14/53/44/169145344.db2.gz AUNFLNYQIQZFNC-UHFFFAOYSA-N 0 0 249.310 2.678 50 0 BFAARN Oc1cc2c(cc1Br)CCCN2 ZINC000082351141 183260463 /nfs/dbraw/zinc/26/04/63/183260463.db2.gz OQXWULPNCBFWOJ-UHFFFAOYSA-N 0 0 228.089 2.513 50 0 BFAARN O=c1cc2ccc(C(F)(F)F)cc2c[nH]1 ZINC000095616420 183262805 /nfs/dbraw/zinc/26/28/05/183262805.db2.gz PNTPSXAKCKDRRZ-UHFFFAOYSA-N 0 0 213.158 2.959 50 0 BFAARN O=c1cc2ccc(Br)cc2c[nH]1 ZINC000071621022 183263468 /nfs/dbraw/zinc/26/34/68/183263468.db2.gz BRRWUDMFAZPPKR-UHFFFAOYSA-N 0 0 224.057 2.703 50 0 BFAARN O=c1cc2cc(C(F)(F)F)ccc2c[nH]1 ZINC000095616419 183263533 /nfs/dbraw/zinc/26/35/33/183263533.db2.gz DSQGHRJCKUJDJB-UHFFFAOYSA-N 0 0 213.158 2.959 50 0 BFAARN Oc1ccc(-c2cn3ccccc3n2)cc1 ZINC000000333152 183263873 /nfs/dbraw/zinc/26/38/73/183263873.db2.gz XTZDIUGVJZDRGY-UHFFFAOYSA-N 0 0 210.236 2.707 50 0 BFAARN CCCN(CCO)Cc1c(F)cccc1Cl ZINC000000278318 169164765 /nfs/dbraw/zinc/16/47/65/169164765.db2.gz DFJDMXRYFMLHCD-UHFFFAOYSA-N 0 0 245.725 2.683 50 0 BFAARN Oc1cccc2nc(Br)sc21 ZINC000216073442 183298742 /nfs/dbraw/zinc/29/87/42/183298742.db2.gz KRLIQZYTQKATIR-UHFFFAOYSA-N 0 0 230.086 2.764 50 0 BFAARN O=c1cc[nH]c(OC2CCCC2)c1Cl ZINC000261494337 183305114 /nfs/dbraw/zinc/30/51/14/183305114.db2.gz VFCXYJMQSFOKRA-UHFFFAOYSA-N 0 0 213.664 2.762 50 0 BFAARN S=c1[nH]ncc2c3ccccc3[nH]c21 ZINC000012505810 183314767 /nfs/dbraw/zinc/31/47/67/183314767.db2.gz CGHBJXQQZQJJTI-UHFFFAOYSA-N 0 0 201.254 2.774 50 0 BFAARN S=c1ccc(-c2ccc3c(c2)OCO3)n[nH]1 ZINC000041258604 183315408 /nfs/dbraw/zinc/31/54/08/183315408.db2.gz KDGOJEXWEQVFHE-UHFFFAOYSA-N 0 0 232.264 2.535 50 0 BFAARN [O-][n+]1ccccc1SCC1CCCCC1 ZINC000039588753 183318673 /nfs/dbraw/zinc/31/86/73/183318673.db2.gz APLNURVLVZIGKK-UHFFFAOYSA-N 0 0 223.341 2.992 50 0 BFAARN c1c[nH]c([C@@H]2CCC[N@H+]2CCc2ccncc2)c1 ZINC000069774694 183327772 /nfs/dbraw/zinc/32/77/72/183327772.db2.gz SUIDIQRANAXQEZ-HNNXBMFYSA-N 0 0 241.338 2.789 50 0 BFAARN c1nc(-c2nc(-c3ccncc3)cs2)c[nH]1 ZINC000057218555 183328764 /nfs/dbraw/zinc/32/87/64/183328764.db2.gz VTYAGAKAEFRORU-UHFFFAOYSA-N 0 0 228.280 2.595 50 0 BFAARN c1cn(Cc2ccc(-c3ccncc3)cc2)cn1 ZINC000096130958 183329360 /nfs/dbraw/zinc/32/93/60/183329360.db2.gz HQIKKOOZOQBJGD-UHFFFAOYSA-N 0 0 235.290 2.993 50 0 BFAARN S=C(NC1CC1)N[C@H]1CCCc2ccccc21 ZINC000002643133 183310926 /nfs/dbraw/zinc/31/09/26/183310926.db2.gz AESGCLUMDXCWSQ-ZDUSSCGKSA-N 0 0 246.379 2.691 50 0 BFAARN S=C(Nc1nccs1)Nc1ccccc1 ZINC000008553055 183311164 /nfs/dbraw/zinc/31/11/64/183311164.db2.gz GCZZOZBWAZHCAN-UHFFFAOYSA-N 0 0 235.337 2.952 50 0 in-vitro BFAARN S=C(NCC1CC1)Nc1ccc2[nH]ccc2c1 ZINC000000081232 183311174 /nfs/dbraw/zinc/31/11/74/183311174.db2.gz QUYCMVSFBYSYPJ-UHFFFAOYSA-N 0 0 245.351 2.864 50 0 BFAARN S=C(NNc1ccccc1)c1ccccc1 ZINC000000174354 183311551 /nfs/dbraw/zinc/31/15/51/183311551.db2.gz AWAWNMNDLBQMDV-UHFFFAOYSA-N 0 0 228.320 2.979 50 0 BFAARN S=C(NCc1ccccc1)Nc1ccncc1 ZINC000013837252 183311754 /nfs/dbraw/zinc/31/17/54/183311754.db2.gz PCUDQZBJNIWVQM-UHFFFAOYSA-N 0 0 243.335 2.568 50 0 BFAARN S=C(Nc1ccccn1)NC1CCCCC1 ZINC000000124832 183312600 /nfs/dbraw/zinc/31/26/00/183312600.db2.gz NJYHEQAVKAHKLU-UHFFFAOYSA-N 0 0 235.356 2.701 50 0 BFAARN S=c1[nH]c(C2CC2)nn1-c1ccccc1 ZINC000013120717 183313337 /nfs/dbraw/zinc/31/33/37/183313337.db2.gz HQFPFIJRKXJFRK-UHFFFAOYSA-N 0 0 217.297 2.807 50 0 BFAARN CCCNC(=O)Cc1ccc(Cl)cc1F ZINC000072117266 169233618 /nfs/dbraw/zinc/23/36/18/169233618.db2.gz XPHZEEOLQPDMPF-UHFFFAOYSA-N 0 0 229.682 2.548 50 0 BFAARN CCCNC(=O)CCc1ccccc1Cl ZINC000040459988 169218194 /nfs/dbraw/zinc/21/81/94/169218194.db2.gz PMYMGHHWSYFOJG-UHFFFAOYSA-N 0 0 225.719 2.799 50 0 BFAARN c1n[nH]cc1-c1nccc(C2CCCC2)n1 ZINC000071707992 183334435 /nfs/dbraw/zinc/33/44/35/183334435.db2.gz VHPYUROPNBLKTR-UHFFFAOYSA-N 0 0 214.272 2.524 50 0 BFAARN CCCNC(=O)c1oc2ccc(OC)cc2c1C ZINC000007310986 169253936 /nfs/dbraw/zinc/25/39/36/169253936.db2.gz YULYMVOOFICMON-UHFFFAOYSA-N 0 0 247.294 2.890 50 0 BFAARN CCCNC(=O)NC1CCCCCCC1 ZINC000006725493 169236343 /nfs/dbraw/zinc/23/63/43/169236343.db2.gz OIVKKCXSILPNLD-UHFFFAOYSA-N 0 0 212.337 2.809 50 0 BFAARN CCCNC(=O)NCC1CCC(F)(F)CC1 ZINC000240668560 169236774 /nfs/dbraw/zinc/23/67/74/169236774.db2.gz HNKORCLVLHXHJD-UHFFFAOYSA-N 0 0 234.290 2.521 50 0 BFAARN CCCNC(=O)Nc1cccc(CC)c1 ZINC000006741057 169240065 /nfs/dbraw/zinc/24/00/65/169240065.db2.gz OBTUQAIXSOKGFA-UHFFFAOYSA-N 0 0 206.289 2.781 50 0 BFAARN c1ccc(-c2cc(NC3CC3)ncn2)cc1 ZINC000082160597 183379768 /nfs/dbraw/zinc/37/97/68/183379768.db2.gz MXWVUACPGIGMQN-UHFFFAOYSA-N 0 0 211.268 2.718 50 0 BFAARN c1ccc(-c2nnc(-c3ccncc3)o2)cc1 ZINC000000145495 183383263 /nfs/dbraw/zinc/38/32/63/183383263.db2.gz TUIXVQYWFSEXHA-UHFFFAOYSA-N 0 0 223.235 2.799 50 0 BFAARN CCCNC(=O)[C@H](C)Oc1ccccc1Cl ZINC000013709894 169247642 /nfs/dbraw/zinc/24/76/42/169247642.db2.gz HJYWVOBXHYRJGC-VIFPVBQESA-N 0 0 241.718 2.634 50 0 BFAARN CCCNC(=O)[C@H](C)Oc1cc(C)ccc1C ZINC000013710630 169247745 /nfs/dbraw/zinc/24/77/45/169247745.db2.gz KJLPSMXXGYRLBU-LBPRGKRZSA-N 0 0 235.327 2.597 50 0 BFAARN c1ccc(-c2nccnc2-c2ccccn2)nc1 ZINC000000120268 183383891 /nfs/dbraw/zinc/38/38/91/183383891.db2.gz WTZDTUCKEBDJIM-UHFFFAOYSA-N 0 0 234.262 2.601 50 0 BFAARN CCCNC(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000031207936 169249707 /nfs/dbraw/zinc/24/97/07/169249707.db2.gz VODQDAPGWZYDBX-UHFFFAOYSA-N 0 0 244.294 2.790 50 0 BFAARN CCCOC(=O)Cc1c[nH]c2ccccc12 ZINC000057987651 169298825 /nfs/dbraw/zinc/29/88/25/169298825.db2.gz MNSTXDVFCOCNAP-UHFFFAOYSA-N 0 0 217.268 2.664 50 0 BFAARN c1ccc(NC2CCC3(CC2)OCCO3)cc1 ZINC000019879600 183416602 /nfs/dbraw/zinc/41/66/02/183416602.db2.gz LCBVJLJPASNXKE-UHFFFAOYSA-N 0 0 233.311 2.784 50 0 BFAARN CCCOc1cc(F)ccc1NCc1ncc[nH]1 ZINC000084756802 169315865 /nfs/dbraw/zinc/31/58/65/169315865.db2.gz IZGGTSLDWGKUDX-UHFFFAOYSA-N 0 0 249.289 2.950 50 0 BFAARN CCCOc1ccc(Br)cc1CO ZINC000002838734 169316445 /nfs/dbraw/zinc/31/64/45/169316445.db2.gz UQOIAUZZKJVNKF-UHFFFAOYSA-N 0 0 245.116 2.730 50 0 BFAARN CCCNc1cc(=O)oc2ccccc12 ZINC000002029128 169293593 /nfs/dbraw/zinc/29/35/93/169293593.db2.gz GDRCJLWGOVDQLL-UHFFFAOYSA-N 0 0 203.241 2.615 50 0 BFAARN CCCNc1nc(Cl)nc(NC(C)(C)C)n1 ZINC000003099666 169295622 /nfs/dbraw/zinc/29/56/22/169295622.db2.gz XRBWEUZVBFNDDW-UHFFFAOYSA-N 0 0 243.742 2.557 50 0 BFAARN CCCSc1nnc(-c2ccccc2)n1C ZINC000016276037 169341741 /nfs/dbraw/zinc/34/17/41/169341741.db2.gz CBFQPELWTJSDFA-UHFFFAOYSA-N 0 0 233.340 2.984 50 0 BFAARN CCCSc1nc2ccccc2c(=O)n1CC ZINC000002304725 169342037 /nfs/dbraw/zinc/34/20/37/169342037.db2.gz IELUJCQYYYEACK-UHFFFAOYSA-N 0 0 248.351 2.919 50 0 BFAARN CCCOc1ccc(CSc2nc[nH]n2)cc1 ZINC000004257727 169319071 /nfs/dbraw/zinc/31/90/71/169319071.db2.gz NNGWZXZAMZZUFL-UHFFFAOYSA-N 0 0 249.339 2.886 50 0 BFAARN CCCOc1cccc(NC(=O)CC)c1 ZINC000012137485 169324916 /nfs/dbraw/zinc/32/49/16/169324916.db2.gz SCSMERLFSADRTR-UHFFFAOYSA-N 0 0 207.273 2.824 50 0 BFAARN c1ncc(CN2CCc3ccccc32)s1 ZINC000097049975 183443420 /nfs/dbraw/zinc/44/34/20/183443420.db2.gz BVKFFFAYNMVQOU-UHFFFAOYSA-N 0 0 216.309 2.706 50 0 BFAARN CCC[C@@H](C)NC(=O)CCc1ccccc1 ZINC000002191074 169367643 /nfs/dbraw/zinc/36/76/43/169367643.db2.gz BSXVMJIPVITBTM-GFCCVEGCSA-N 0 0 219.328 2.924 50 0 biogenic BFAARN CCC[C@@H](C)NC(=O)c1cc(Cl)c[nH]1 ZINC000012988455 169368719 /nfs/dbraw/zinc/36/87/19/169368719.db2.gz CNMSHBHIQSISBC-SSDOTTSWSA-N 0 0 214.696 2.587 50 0 BFAARN CCC[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000000383586 169369128 /nfs/dbraw/zinc/36/91/28/169369128.db2.gz MGMMFUGQJMNMKH-LLVKDONJSA-N 0 0 205.301 2.913 50 0 BFAARN CCC[C@@H](C)C(=O)NCc1ccccc1OC ZINC000000030558 169351572 /nfs/dbraw/zinc/35/15/72/169351572.db2.gz NFOYMJJWGSYYJL-LLVKDONJSA-N 0 0 235.327 2.748 50 0 biogenic BFAARN c1cc2c(ncnc2NCc2cccnc2)s1 ZINC000011535918 183495366 /nfs/dbraw/zinc/49/53/66/183495366.db2.gz OQQMNOYZJPTICM-UHFFFAOYSA-N 0 0 242.307 2.698 50 0 BFAARN CCC[C@H](C)NC(=O)c1cc(Cl)c[nH]1 ZINC000012988458 169492853 /nfs/dbraw/zinc/49/28/53/169492853.db2.gz CNMSHBHIQSISBC-ZETCQYMHSA-N 0 0 214.696 2.587 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc(F)nc1 ZINC000032918895 166670697 /nfs/dbraw/zinc/67/06/97/166670697.db2.gz FXGNEIOGSGKPFL-UHFFFAOYSA-N 0 0 212.224 2.568 50 0 BFAARN CCCc1nnc(-c2ccc(F)cc2)o1 ZINC000000032895 169597599 /nfs/dbraw/zinc/59/75/99/169597599.db2.gz ZKWGWLKKNUCTBW-UHFFFAOYSA-N 0 0 206.220 2.828 50 0 BFAARN CCCn1c2ccccc2nc1NC(=O)C1CC1 ZINC000006153902 169614313 /nfs/dbraw/zinc/61/43/13/169614313.db2.gz KUNRUMXQPNWQKB-UHFFFAOYSA-N 0 0 243.310 2.795 50 0 BFAARN CCCn1ccc(NC(=O)c2ccc(C)s2)n1 ZINC000064555710 169622739 /nfs/dbraw/zinc/62/27/39/169622739.db2.gz FUUAAWQZDYODAX-UHFFFAOYSA-N 0 0 249.339 2.915 50 0 BFAARN CCCn1ccc(NC(=O)c2ccccc2C)n1 ZINC000064555655 169623374 /nfs/dbraw/zinc/62/33/74/169623374.db2.gz NKALRDNCWICLRM-UHFFFAOYSA-N 0 0 243.310 2.854 50 0 BFAARN CC(C)C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000032903890 166708438 /nfs/dbraw/zinc/70/84/38/166708438.db2.gz WVRYGEVLVWAFDK-NWDGAFQWSA-N 0 0 209.333 2.824 50 0 BFAARN Cc1ccc(C)c(OCC(=O)N2CCCCC2)c1 ZINC000000038568 383819333 /nfs/dbraw/zinc/81/93/33/383819333.db2.gz MFPPLCWMIWBQJT-UHFFFAOYSA-N 0 0 247.338 2.695 50 0 BFAARN O=C1c2ccccc2-c2nc3ccccc3n21 ZINC000000041118 383820020 /nfs/dbraw/zinc/82/00/20/383820020.db2.gz SDLWGEXLAMKZHI-UHFFFAOYSA-N 0 0 220.231 2.705 50 0 BFAARN CC(=O)Oc1ccc2oc(C)c(C(C)=O)c2c1 ZINC000000078712 383822990 /nfs/dbraw/zinc/82/29/90/383822990.db2.gz WQEWETIFDKPSPO-UHFFFAOYSA-N 0 0 232.235 2.869 50 0 biogenic BFAARN C[C@@H]1Sc2ccccc2NC(=O)[C@@H]1C ZINC000000084986 383824625 /nfs/dbraw/zinc/82/46/25/383824625.db2.gz GTUFEXDPRZPSSZ-SFYZADRCSA-N 0 0 207.298 2.755 50 0 BFAARN Cc1cc(Br)c(O)c2c1CCC2 ZINC000000157687 383835956 /nfs/dbraw/zinc/83/59/56/383835956.db2.gz JVSJLQABHNFCLL-UHFFFAOYSA-N 0 0 227.101 2.952 50 0 BFAARN COC(=O)c1cc(C)c(Br)s1 ZINC000000159070 383836924 /nfs/dbraw/zinc/83/69/24/383836924.db2.gz RJWZFHRMQRWEIH-UHFFFAOYSA-N 0 0 235.102 2.606 50 0 BFAARN c1cc(-c2ccc(Oc3ncccn3)cc2)n[nH]1 ZINC000000170266 383838889 /nfs/dbraw/zinc/83/88/89/383838889.db2.gz DUEUESIXAVJTRZ-UHFFFAOYSA-N 0 0 238.250 2.659 50 0 BFAARN S=C1N=NC(c2cc(Cl)nc(Cl)c2)O1 ZINC000000166705 383839496 /nfs/dbraw/zinc/83/94/96/383839496.db2.gz DGCWSYQIRJNUBJ-UHFFFAOYSA-N 0 0 248.094 2.727 50 0 BFAARN C[C@H]1S[C@H](c2cccc(Cl)c2)NC1=O ZINC000000208324 383843998 /nfs/dbraw/zinc/84/39/98/383843998.db2.gz DSDPWHIBVHAATJ-LHLIQPBNSA-N 0 0 227.716 2.590 50 0 BFAARN Cc1ccc2cc(C(F)(F)F)cnc2n1 ZINC000066054306 383844798 /nfs/dbraw/zinc/84/47/98/383844798.db2.gz ATPHVXQFNQZKBB-UHFFFAOYSA-N 0 0 212.174 2.957 50 0 BFAARN COC(OC)c1c2cc[nH]c2ncc1Cl ZINC000066054268 383845664 /nfs/dbraw/zinc/84/56/64/383845664.db2.gz WVGJKUQSSTUXRQ-UHFFFAOYSA-N 0 0 226.663 2.508 50 0 BFAARN CC(=O)SC[C@@H](C)C(=O)Nc1ccccc1 ZINC000000281160 383850777 /nfs/dbraw/zinc/85/07/77/383850777.db2.gz POOHUDYDBYYUQO-SECBINFHSA-N 0 0 237.324 2.541 50 0 BFAARN C/C=C/C=C\C(=O)Nc1cc(OC)ccc1OC ZINC000096646172 383851156 /nfs/dbraw/zinc/85/11/56/383851156.db2.gz CCFZWYHDNAYWIF-DEQVHDEQSA-N 0 0 247.294 2.775 50 0 BFAARN CC(=O)Oc1ccc2ccc(OC(C)=O)cc2c1 ZINC000000291442 383851307 /nfs/dbraw/zinc/85/13/07/383851307.db2.gz VRMXWHJBWOVBEJ-UHFFFAOYSA-N 0 0 244.246 2.690 50 0 BFAARN Cc1ccc(C(=O)NC2CCCC2)cc1C ZINC000000288405 383851430 /nfs/dbraw/zinc/85/14/30/383851430.db2.gz TZKDCZPJDFYGHS-UHFFFAOYSA-N 0 0 217.312 2.976 50 0 BFAARN CC(=O)c1ccc(NC=O)c2ccccc12 ZINC000000332314 383853050 /nfs/dbraw/zinc/85/30/50/383853050.db2.gz CCKAZPGKNBKDNX-UHFFFAOYSA-N 0 0 213.236 2.611 50 0 BFAARN O=Cc1cc(Cl)cc(Br)c1 ZINC000035322935 383853191 /nfs/dbraw/zinc/85/31/91/383853191.db2.gz JGMGDYUVFBBCEQ-UHFFFAOYSA-N 0 0 219.465 2.915 50 0 BFAARN CCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000000305104 383854314 /nfs/dbraw/zinc/85/43/14/383854314.db2.gz AWDYUOAZBWLDPR-UHFFFAOYSA-N 0 0 226.279 2.896 50 0 BFAARN O=Cc1ccc(OCc2ccccc2)cc1O ZINC000000336921 383855787 /nfs/dbraw/zinc/85/57/87/383855787.db2.gz AMLKEDBYDOCGEG-UHFFFAOYSA-N 0 0 228.247 2.784 50 0 BFAARN O=C1N[C@H](c2ccccc2)CCC1(Cl)Cl ZINC000000343542 383856826 /nfs/dbraw/zinc/85/68/26/383856826.db2.gz VIOVAUGSESYAND-VIFPVBQESA-N 0 0 244.121 2.812 50 0 BFAARN CC(C)CCNC(=O)c1ccc(Cl)c(N)c1 ZINC000000365597 383858345 /nfs/dbraw/zinc/85/83/45/383858345.db2.gz RLNHAIMDPKOQSL-UHFFFAOYSA-N 0 0 240.734 2.698 50 0 BFAARN Cc1ccc(OCC(=O)NC2CCCC2)cc1C ZINC000000359598 383858459 /nfs/dbraw/zinc/85/84/59/383858459.db2.gz QGDAVIRJAICWGC-UHFFFAOYSA-N 0 0 247.338 2.741 50 0 BFAARN CCCn1cnc(C(=O)c2ccc(Cl)cc2)n1 ZINC000000377998 383859049 /nfs/dbraw/zinc/85/90/49/383859049.db2.gz ZWLHPJOVHXTRSE-UHFFFAOYSA-N 0 0 249.701 2.573 50 0 BFAARN Fc1cc2[nH]nc(Br)c2cc1F ZINC000066354608 383859880 /nfs/dbraw/zinc/85/98/80/383859880.db2.gz BAWKUYQIZMQJJE-UHFFFAOYSA-N 0 0 233.015 2.604 50 0 BFAARN CCc1ccc(NC(=O)c2snnc2C)cc1 ZINC000000385504 383861851 /nfs/dbraw/zinc/86/18/51/383861851.db2.gz YLUAYOKLZLJQND-UHFFFAOYSA-N 0 0 247.323 2.661 50 0 BFAARN Cc1nnsc1C(=O)Nc1cc(C)ccc1C ZINC000000385475 383861869 /nfs/dbraw/zinc/86/18/69/383861869.db2.gz KQZMEJRALWDGML-UHFFFAOYSA-N 0 0 247.323 2.716 50 0 BFAARN Cc1nnsc1C(=O)Nc1cccc(C)c1C ZINC000000385478 383862416 /nfs/dbraw/zinc/86/24/16/383862416.db2.gz MWUGUZGNGBLKQV-UHFFFAOYSA-N 0 0 247.323 2.716 50 0 BFAARN Cc1ccc(C(=O)Nc2cc(C)ccn2)cc1 ZINC000000401858 383863310 /nfs/dbraw/zinc/86/33/10/383863310.db2.gz KLNRYNBUTUVSKA-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN COC(=O)c1c(OC)ccc2ccccc21 ZINC000000403463 383863734 /nfs/dbraw/zinc/86/37/34/383863734.db2.gz BDXGQHHFVPQVAQ-UHFFFAOYSA-N 0 0 216.236 2.635 50 0 BFAARN Cc1ccc(C(=O)Nc2ccc(O)cc2)cc1 ZINC000000407517 383865788 /nfs/dbraw/zinc/86/57/88/383865788.db2.gz GOMRVZGCGJBGPN-UHFFFAOYSA-N 0 0 227.263 2.953 50 0 BFAARN FC(F)(F)c1cccc(-n2cccn2)c1 ZINC000035728273 383868546 /nfs/dbraw/zinc/86/85/46/383868546.db2.gz AWYVWLRVIUZBQI-UHFFFAOYSA-N 0 0 212.174 2.891 50 0 BFAARN c1nc2nccc(-c3cccc4ccccc43)n2n1 ZINC000000480021 383871647 /nfs/dbraw/zinc/87/16/47/383871647.db2.gz LEGVYSJWBCNVRE-UHFFFAOYSA-N 0 0 246.273 2.945 50 0 BFAARN COC(=O)c1ccccc1NC(=O)C1CCCC1 ZINC000000473320 383871942 /nfs/dbraw/zinc/87/19/42/383871942.db2.gz JGXRIRPMSWHGKN-UHFFFAOYSA-N 0 0 247.294 2.602 50 0 BFAARN c1ncc(-c2nc3ccccc3[nH]2)s1 ZINC000000617826 383877895 /nfs/dbraw/zinc/87/78/95/383877895.db2.gz GVLDOZDIEFWUJQ-UHFFFAOYSA-N 0 0 201.254 2.686 50 0 BFAARN CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000000125199 383829498 /nfs/dbraw/zinc/82/94/98/383829498.db2.gz OBEXUAPBTUTPDV-UHFFFAOYSA-N 0 0 239.274 2.876 50 0 BFAARN CC1(C)CCCN(C(=O)CCCn2cccc2)C1 ZINC000225550565 383915974 /nfs/dbraw/zinc/91/59/74/383915974.db2.gz VMQYQAZURNIGLA-UHFFFAOYSA-N 0 0 248.370 2.917 50 0 BFAARN C[C@@H]1C[C@@H]1c1cc(N)n(-c2ccccc2)n1 ZINC000036938401 383920552 /nfs/dbraw/zinc/92/05/52/383920552.db2.gz ZWVAZCFZYJSBEE-KOLCDFICSA-N 0 0 213.284 2.578 50 0 BFAARN O=CNc1cc(C(F)(F)F)ccc1Cl ZINC000001682181 383923849 /nfs/dbraw/zinc/92/38/49/383923849.db2.gz XEAIJWFDADPVCD-UHFFFAOYSA-N 0 0 223.581 2.927 50 0 BFAARN CCOP(=O)(CSCC)OCC ZINC000001725878 383931960 /nfs/dbraw/zinc/93/19/60/383931960.db2.gz FTTKKJQNGIJGOC-UHFFFAOYSA-N 0 0 212.251 2.963 50 0 BFAARN CC(C)(C)c1nnc(-c2ccc(N)cc2)o1 ZINC000036075278 383881946 /nfs/dbraw/zinc/88/19/46/383881946.db2.gz BXURLKRTMRDEOI-UHFFFAOYSA-N 0 0 217.272 2.616 50 0 BFAARN O=Cc1c(Cl)c2cc(Cl)ccc2oc1=O ZINC000001081544 383888266 /nfs/dbraw/zinc/88/82/66/383888266.db2.gz OKMFWQALBSVSDG-UHFFFAOYSA-N 0 0 243.045 2.912 50 0 BFAARN COC(=O)c1cccc(-c2cccc(N)c2)c1 ZINC000001259946 383891039 /nfs/dbraw/zinc/89/10/39/383891039.db2.gz OZGKLPFPUYBIGL-UHFFFAOYSA-N 0 0 227.263 2.722 50 0 BFAARN C[C@]12CCc3ccccc3[C@]1(C)OC(=O)O2 ZINC000000117389 383933473 /nfs/dbraw/zinc/93/34/73/383933473.db2.gz RZFWPUPZZRXZLU-STQMWFEESA-N 0 0 218.252 2.774 50 0 BFAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2CO ZINC000001406103 383895358 /nfs/dbraw/zinc/89/53/58/383895358.db2.gz OJGSWHAQWLEGTE-UHFFFAOYSA-N 0 0 238.290 2.802 50 0 BFAARN C[C@H](Cc1ccc(Cl)cc1Cl)C(N)=O ZINC000071884529 383897006 /nfs/dbraw/zinc/89/70/06/383897006.db2.gz QKEXITWQNOWKDN-ZCFIWIBFSA-N 0 0 232.110 2.657 50 0 BFAARN COc1ccc(Cc2ccccc2O)cc1 ZINC000001562032 383905710 /nfs/dbraw/zinc/90/57/10/383905710.db2.gz ALZWVPLMSWPDQR-UHFFFAOYSA-N 0 0 214.264 2.992 50 0 BFAARN O=Cc1ccccc1OC(F)(F)C(F)F ZINC000002579175 383977895 /nfs/dbraw/zinc/97/78/95/383977895.db2.gz XYNDDBJXUBHBOI-UHFFFAOYSA-N 0 0 222.137 2.736 50 0 BFAARN C1=CCC(Nc2nc(C3CC3)ns2)C1 ZINC000089598211 383978088 /nfs/dbraw/zinc/97/80/88/383978088.db2.gz WRIUBIQAEWPBRV-UHFFFAOYSA-N 0 0 207.302 2.546 50 0 BFAARN O=Cc1ccc(COc2ccc(F)cc2)o1 ZINC000002578471 383979229 /nfs/dbraw/zinc/97/92/29/383979229.db2.gz SAKCIMIIRPKAQG-UHFFFAOYSA-N 0 0 220.199 2.810 50 0 BFAARN Cc1cc(C(=O)Nc2cc(F)ccc2C)no1 ZINC000002730487 383984429 /nfs/dbraw/zinc/98/44/29/383984429.db2.gz RPZZRIXCFNJWBY-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN Cc1ccc(C(=O)[C@H](O)c2ccccc2)cc1 ZINC000003132343 383998751 /nfs/dbraw/zinc/99/87/51/383998751.db2.gz ZXFSXZYDGCZLBE-CQSZACIVSA-N 0 0 226.275 2.911 50 0 BFAARN C(=Cc1cnc2n[nH]nc2c1)c1ccccc1 ZINC000067786240 383947203 /nfs/dbraw/zinc/94/72/03/383947203.db2.gz XNPOTOYDIVCVMI-VOTSOKGWSA-N 0 0 222.251 2.523 50 0 BFAARN [NH3+]CCSC(=S)[N-]C1CCCCCCC1 ZINC000002152337 383953814 /nfs/dbraw/zinc/95/38/14/383953814.db2.gz KRZIOQIETWSWJM-UHFFFAOYSA-N 0 0 246.445 2.666 50 0 BFAARN O=C(/C=C\c1ccccc1Cl)N1CCCC1 ZINC000033342541 383955047 /nfs/dbraw/zinc/95/50/47/383955047.db2.gz AEBYEKGSMWKKRH-FPLPWBNLSA-N 0 0 235.714 2.976 50 0 BFAARN C=C1c2ccc(C)cc2NC(=O)N1CC ZINC000002291379 383956329 /nfs/dbraw/zinc/95/63/29/383956329.db2.gz FKZWKSDBSPEPAF-UHFFFAOYSA-N 0 0 202.257 2.833 50 0 BFAARN CC(=O)Nc1cccc(-c2cccnc2)c1 ZINC000071773632 384000834 /nfs/dbraw/zinc/00/08/34/384000834.db2.gz XHKKIOPGAABPQY-UHFFFAOYSA-N 0 0 212.252 2.707 50 0 BFAARN COC(=O)c1ccc(COc2cccc(C)c2)o1 ZINC000002505974 383965808 /nfs/dbraw/zinc/96/58/08/383965808.db2.gz BFZDRZIYYVJQQN-UHFFFAOYSA-N 0 0 246.262 2.954 50 0 BFAARN CC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000002518689 383968625 /nfs/dbraw/zinc/96/86/25/383968625.db2.gz LNSGIYHTBZBJHU-UHFFFAOYSA-N 0 0 218.174 2.717 50 0 BFAARN COC(=O)c1ccc(C)c(Br)c1 ZINC000002516933 383969079 /nfs/dbraw/zinc/96/90/79/383969079.db2.gz MASRAGFWFYHMFI-UHFFFAOYSA-N 0 0 229.073 2.544 50 0 BFAARN COC(=O)c1ccc(-c2ccc(C=O)cc2)cc1 ZINC000002525669 383970737 /nfs/dbraw/zinc/97/07/37/383970737.db2.gz URINKTWOCVLGGR-UHFFFAOYSA-N 0 0 240.258 2.953 50 0 BFAARN COC(=O)c1cc2c(cccc2Cl)[nH]1 ZINC000002534074 383971785 /nfs/dbraw/zinc/97/17/85/383971785.db2.gz VCWSTLMSXZPPMD-UHFFFAOYSA-N 0 0 209.632 2.608 50 0 BFAARN CC(C)CCOC(=O)c1ccc(O)cc1 ZINC000002566166 383976289 /nfs/dbraw/zinc/97/62/89/383976289.db2.gz KSHVDKDQYBNSAN-UHFFFAOYSA-N 0 0 208.257 2.595 50 0 BFAARN CC(=O)Nc1ccc(Br)c(F)c1 ZINC000002567817 383976390 /nfs/dbraw/zinc/97/63/90/383976390.db2.gz GAQUWJRFYLETKX-UHFFFAOYSA-N 0 0 232.052 2.547 50 0 BFAARN Cn1cnc2c1cc(Cl)cc2Cl ZINC000073634224 384023538 /nfs/dbraw/zinc/02/35/38/384023538.db2.gz UFTUBDYSKHGILT-UHFFFAOYSA-N 0 0 201.056 2.880 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000003294713 384004944 /nfs/dbraw/zinc/00/49/44/384004944.db2.gz VJWYILXDIGYAIS-YUMQZZPRSA-N 0 0 236.340 2.616 50 0 BFAARN C[C@@H](CC(=O)N1CCCC1)c1ccccc1F ZINC000089894512 384005167 /nfs/dbraw/zinc/00/51/67/384005167.db2.gz OJQUREHDXNSWKF-NSHDSACASA-N 0 0 235.302 2.942 50 0 BFAARN O=CC(=O)c1cccc(OCc2ccccc2)c1 ZINC000004204415 384045156 /nfs/dbraw/zinc/04/51/56/384045156.db2.gz LJAKFMSOCUUCEE-UHFFFAOYSA-N 0 0 240.258 2.647 50 0 BFAARN C[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(C)(C)C ZINC000071900034 384046541 /nfs/dbraw/zinc/04/65/41/384046541.db2.gz OEZPGJQCHBJWNB-SECBINFHSA-N 0 0 249.310 2.580 50 0 BFAARN O=Cc1c[nH]nc1-c1ccccc1Cl ZINC000004237548 384050020 /nfs/dbraw/zinc/05/00/20/384050020.db2.gz CBGOFFLTNRLZMU-UHFFFAOYSA-N 0 0 206.632 2.543 50 0 BFAARN CCCCN1C(=O)C(=O)c2cc(C)cc(C)c21 ZINC000011692646 384053813 /nfs/dbraw/zinc/05/38/13/384053813.db2.gz ZUFBRWZKMVJKMH-UHFFFAOYSA-N 0 0 231.295 2.633 50 0 BFAARN Cc1cc(C)c(-c2cc(N)n[nH]2)cc1C ZINC000003886123 384031811 /nfs/dbraw/zinc/03/18/11/384031811.db2.gz LXFDSPUKEJIJAZ-UHFFFAOYSA-N 0 0 201.273 2.584 50 0 BFAARN CC(=O)C(Cc1ccc(Cl)cc1)C(C)=O ZINC000004025022 384035116 /nfs/dbraw/zinc/03/51/16/384035116.db2.gz OUSXQLOQSXXOEC-UHFFFAOYSA-N 0 0 224.687 2.677 50 0 BFAARN O=C1Nc2ccccc2[C@H]1c1ccccc1 ZINC000003957946 384035610 /nfs/dbraw/zinc/03/56/10/384035610.db2.gz PAMMIXSSIGTOAK-CYBMUJFWSA-N 0 0 209.248 2.771 50 0 BFAARN CCCCNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000004390808 384061761 /nfs/dbraw/zinc/06/17/61/384061761.db2.gz RJGMEDBQCQLMBH-UHFFFAOYSA-N 0 0 246.310 2.706 50 0 BFAARN Nc1nnc(/C=C/c2ccccc2Cl)s1 ZINC000004499428 384063403 /nfs/dbraw/zinc/06/34/03/384063403.db2.gz YPGMOJZDPBVHJE-AATRIKPKSA-N 0 0 237.715 2.944 50 0 BFAARN CCCC(C)(C)NC(=O)Cc1ccccc1OC ZINC000050498773 384064775 /nfs/dbraw/zinc/06/47/75/384064775.db2.gz DVLYAVNLXDXILI-UHFFFAOYSA-N 0 0 249.354 2.933 50 0 BFAARN CC(C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000049930138 384067394 /nfs/dbraw/zinc/06/73/94/384067394.db2.gz OYLHTMSRAMBCGA-VIFPVBQESA-N 0 0 209.264 2.659 50 0 BFAARN Cc1cccnc1NCC1(C)CCOCC1 ZINC000158667065 384091266 /nfs/dbraw/zinc/09/12/66/384091266.db2.gz BCOYLWPBYQJEKZ-UHFFFAOYSA-N 0 0 220.316 2.619 50 0 BFAARN CSc1ccc(NC(=O)c2cc(C)no2)cc1 ZINC000011693215 384078771 /nfs/dbraw/zinc/07/87/71/384078771.db2.gz OZNUMTFMNYIWHG-UHFFFAOYSA-N 0 0 248.307 2.957 50 0 BFAARN O=Cc1ccc(OC(F)(F)F)cc1F ZINC000091251992 384108033 /nfs/dbraw/zinc/10/80/33/384108033.db2.gz DEACWPDDLIOZJV-UHFFFAOYSA-N 0 0 208.110 2.537 50 0 BFAARN NC(=O)c1ccccc1/C=C/c1ccccc1 ZINC000039311254 384110835 /nfs/dbraw/zinc/11/08/35/384110835.db2.gz YIJXHVVLPREZQI-ZHACJKMWSA-N 0 0 223.275 2.956 50 0 BFAARN Cc1cc(C(=O)Nc2ccc(Cl)cc2)on1 ZINC000005403874 384115276 /nfs/dbraw/zinc/11/52/76/384115276.db2.gz ZQYYHGJUVCQYLR-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN Cn1ncnc1[C@@]1(c2ccccc2F)CC1(C)C ZINC000091551533 384133400 /nfs/dbraw/zinc/13/34/00/384133400.db2.gz YVDHXSLFNKBULI-AWEZNQCLSA-N 0 0 245.301 2.670 50 0 BFAARN CCCN1C(=S)N=NC1Cc1ccccc1 ZINC000005904326 384136462 /nfs/dbraw/zinc/13/64/62/384136462.db2.gz CNJOWVZJYWWTND-UHFFFAOYSA-N 0 0 233.340 2.568 50 0 BFAARN Cc1cncc(CNc2ncccc2F)c1 ZINC000309706064 384136565 /nfs/dbraw/zinc/13/65/65/384136565.db2.gz OLQTVJCGKLVEIX-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN Cc1ccc(C)c(C(=O)N[C@@H](C)C2CC2)c1 ZINC000039985016 384123629 /nfs/dbraw/zinc/12/36/29/384123629.db2.gz CHFBBLVDDBQLEL-NSHDSACASA-N 0 0 217.312 2.832 50 0 BFAARN Cc1ccc(C)c(C(=O)N[C@H](C)C2CC2)c1 ZINC000039985017 384124855 /nfs/dbraw/zinc/12/48/55/384124855.db2.gz CHFBBLVDDBQLEL-LLVKDONJSA-N 0 0 217.312 2.832 50 0 BFAARN Nc1ccc(-c2nc(C3CC3)no2)cc1Cl ZINC000070602047 384124991 /nfs/dbraw/zinc/12/49/91/384124991.db2.gz HDPJGXXWWLECCO-UHFFFAOYSA-N 0 0 235.674 2.850 50 0 BFAARN CC(C)Cc1ccc([C@@H](C)c2nc(N)n[nH]2)cc1 ZINC000040162988 384126868 /nfs/dbraw/zinc/12/68/68/384126868.db2.gz ZWUMAUZTKSMRBY-SNVBAGLBSA-N 0 0 244.342 2.737 50 0 BFAARN CC1=C[C@@H](C(=O)Nc2ccccc2)CCO1 ZINC000006272896 384147862 /nfs/dbraw/zinc/14/78/62/384147862.db2.gz RVUAOAREEJAWAM-NSHDSACASA-N 0 0 217.268 2.565 50 0 BFAARN C[C@H]1c2cccn2CCN1C(=O)c1cccs1 ZINC000029379130 384150147 /nfs/dbraw/zinc/15/01/47/384150147.db2.gz HSINSZYROUQZPO-JTQLQIEISA-N 0 0 246.335 2.767 50 0 BFAARN Cc1noc(C)c1-c1ccc(C=O)cc1 ZINC000040447851 384150453 /nfs/dbraw/zinc/15/04/53/384150453.db2.gz FIQNXMIUHQZTDY-UHFFFAOYSA-N 0 0 201.225 2.771 50 0 BFAARN O=C1NCCc2ccc(-c3ccccc3)cc21 ZINC000071203196 384154307 /nfs/dbraw/zinc/15/43/07/384154307.db2.gz YONOZPRRPDZFDW-UHFFFAOYSA-N 0 0 223.275 2.640 50 0 BFAARN COC(=O)c1cc2ccc(OC)cc2s1 ZINC000071257111 384156441 /nfs/dbraw/zinc/15/64/41/384156441.db2.gz VMGJIYVZMYUFSI-UHFFFAOYSA-N 0 0 222.265 2.697 50 0 BFAARN Cc1cnc(Br)c2[nH]ccc21 ZINC000091692722 384138564 /nfs/dbraw/zinc/13/85/64/384138564.db2.gz HWUQPXKDAGKTPE-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Nc1cccc2c(Br)ccnc12 ZINC000091692892 384140765 /nfs/dbraw/zinc/14/07/65/384140765.db2.gz HCYKBCVCZOPWGQ-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN CC(C)CC(=O)NC/C=C/c1ccccc1 ZINC000071902898 384140920 /nfs/dbraw/zinc/14/09/20/384140920.db2.gz SRWXKGYHSUPHOE-RMKNXTFCSA-N 0 0 217.312 2.862 50 0 BFAARN CCCCNC(=O)Nc1cccnc1Cl ZINC000005951503 384140987 /nfs/dbraw/zinc/14/09/87/384140987.db2.gz ZUOJODJYQMTGNH-UHFFFAOYSA-N 0 0 227.695 2.657 50 0 BFAARN COC(=O)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000005997429 384141682 /nfs/dbraw/zinc/14/16/82/384141682.db2.gz SPTZOODMHSABLY-HNNXBMFYSA-N 0 0 248.322 2.628 50 0 in-vitro BFAARN CC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000006159133 384145798 /nfs/dbraw/zinc/14/57/98/384145798.db2.gz KIUCLFGBUSUTAG-UHFFFAOYSA-N 0 0 229.235 2.735 50 0 BFAARN CC(C)C(=O)Nc1cccc(OC(=O)C2CC2)c1 ZINC000071904031 384145806 /nfs/dbraw/zinc/14/58/06/384145806.db2.gz QMXKETJIDIGSRQ-UHFFFAOYSA-N 0 0 247.294 2.597 50 0 BFAARN F/C(Br)=C(\F)Br ZINC000071614822 384173735 /nfs/dbraw/zinc/17/37/35/384173735.db2.gz HATFLOWGZBUEIE-UPHRSURJSA-N 0 0 221.826 2.842 50 0 BFAARN C[C@@H](CO)CCNc1nccc(C2CCCC2)n1 ZINC000071730185 384175107 /nfs/dbraw/zinc/17/51/07/384175107.db2.gz ITKPVYCCURXZSF-LLVKDONJSA-N 0 0 249.358 2.565 50 0 BFAARN CCc1ccc(NC(=O)N2CCCC2)cc1 ZINC000006731267 384164406 /nfs/dbraw/zinc/16/44/06/384164406.db2.gz WEHQRTPTJIAJAR-UHFFFAOYSA-N 0 0 218.300 2.877 50 0 BFAARN Cc1cc(C)c(C(=O)NC(C)C)c(C)c1 ZINC000006726828 384164438 /nfs/dbraw/zinc/16/44/38/384164438.db2.gz UAULLUPFXYZHKQ-UHFFFAOYSA-N 0 0 205.301 2.750 50 0 BFAARN CCC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000006746099 384166994 /nfs/dbraw/zinc/16/69/94/384166994.db2.gz JHRIVUOYQODOBO-ZDUSSCGKSA-N 0 0 249.310 2.593 50 0 BFAARN C[C@H](c1cccnc1)N(C)Cc1cncs1 ZINC000097375244 384178670 /nfs/dbraw/zinc/17/86/70/384178670.db2.gz WJCJDEYMTZIJFA-SNVBAGLBSA-N 0 0 233.340 2.731 50 0 BFAARN Fc1cc(Br)cc2nccnc12 ZINC000071790066 384179763 /nfs/dbraw/zinc/17/97/63/384179763.db2.gz MWNUJVQOZMVOAW-UHFFFAOYSA-N 0 0 227.036 2.531 50 0 BFAARN Cc1cc(C)c2c(nn3c2nc(C)cc3Cl)n1 ZINC000007636163 384182973 /nfs/dbraw/zinc/18/29/73/384182973.db2.gz BYXTVDMHMWWYTP-UHFFFAOYSA-N 0 0 246.701 2.856 50 0 BFAARN Cc1cccc(C(C)C)c1NC(N)=S ZINC000041218033 384183142 /nfs/dbraw/zinc/18/31/42/384183142.db2.gz ILVNJHHMEKUCNX-UHFFFAOYSA-N 0 0 208.330 2.774 50 0 BFAARN COC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000072266357 384203463 /nfs/dbraw/zinc/20/34/63/384203463.db2.gz OHMOCGWWYBEKKW-YFKPBYRVSA-N 0 0 249.129 2.787 50 0 BFAARN CCC[C@H](C)NC(=O)c1c(F)cccc1F ZINC000042141526 384203522 /nfs/dbraw/zinc/20/35/22/384203522.db2.gz HQHTVYLOPLJSGW-QMMMGPOBSA-N 0 0 227.254 2.883 50 0 BFAARN O=C(Nc1nccs1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000002831411 384187239 /nfs/dbraw/zinc/18/72/39/384187239.db2.gz ZOOMNALRJFPRHO-GHMZBOCLSA-N 0 0 244.319 2.885 50 0 BFAARN Cc1nc(-c2cccc(Br)c2)no1 ZINC000007781175 384187784 /nfs/dbraw/zinc/18/77/84/384187784.db2.gz GTYLSVIVKRJHIQ-UHFFFAOYSA-N 0 0 239.072 2.808 50 0 BFAARN C[C@H](CSC(C)(C)C)Nc1cnn(C)c1 ZINC000127401771 384191695 /nfs/dbraw/zinc/19/16/95/384191695.db2.gz CZWLEJFADJMWNC-SECBINFHSA-N 0 0 227.377 2.752 50 0 BFAARN COc1ncccc1-c1cnc2ccccc2n1 ZINC000032541375 384241020 /nfs/dbraw/zinc/24/10/20/384241020.db2.gz AYYZHLLVZNALST-UHFFFAOYSA-N 0 0 237.262 2.700 50 0 BFAARN Cc1n[nH]c2c1C(=O)C[C@H](c1cccs1)C2 ZINC000008740826 384214793 /nfs/dbraw/zinc/21/47/93/384214793.db2.gz JWLUFIXLPXZMMJ-MRVPVSSYSA-N 0 0 232.308 2.692 50 0 BFAARN Fc1ccc2ncnc(Oc3cccnc3)c2c1 ZINC000092583461 384240911 /nfs/dbraw/zinc/24/09/11/384240911.db2.gz NEZAKHNHGKSTGF-UHFFFAOYSA-N 0 0 241.225 2.956 50 0 BFAARN CN(Cc1ccccc1)c1cncc(Cl)n1 ZINC000042783562 384244601 /nfs/dbraw/zinc/24/46/01/384244601.db2.gz BALCWIMZLMCMPT-UHFFFAOYSA-N 0 0 233.702 2.766 50 0 BFAARN CN(CCC(F)(F)F)C(=O)C[C@H]1C=CCC1 ZINC000097680620 384257020 /nfs/dbraw/zinc/25/70/20/384257020.db2.gz RAGMOFVYOSXZFT-VIFPVBQESA-N 0 0 235.249 2.754 50 0 BFAARN Cc1cccc(Cc2c(C)[nH]c(=S)[nH]c2=O)c1 ZINC000009698240 384262138 /nfs/dbraw/zinc/26/21/38/384262138.db2.gz ZPEWEXFTMQZECG-UHFFFAOYSA-N 0 0 246.335 2.679 50 0 BFAARN COc1ncccc1C(=O)c1sccc1C ZINC000043210652 384264649 /nfs/dbraw/zinc/26/46/49/384264649.db2.gz HXUHMWJDLFEGPW-UHFFFAOYSA-N 0 0 233.292 2.691 50 0 BFAARN Nc1noc(Cc2c(Cl)cccc2Cl)n1 ZINC000000115221 384265700 /nfs/dbraw/zinc/26/57/00/384265700.db2.gz DXAYHBRZHFYCBA-UHFFFAOYSA-N 0 0 244.081 2.549 50 0 BFAARN CC(=O)OC[C@@]12CO[C@@H](C)[C@@H](C1)C(C)=C[C@@H]2C ZINC000043959286 384308511 /nfs/dbraw/zinc/30/85/11/384308511.db2.gz FLTREWUZEUGCGE-IMIFBBOLSA-N 0 0 238.327 2.557 50 0 BFAARN COC(=O)c1ccc2cc(F)ccc2c1 ZINC000044075943 384313167 /nfs/dbraw/zinc/31/31/67/384313167.db2.gz FXLVPMMENJMZBM-UHFFFAOYSA-N 0 0 204.200 2.766 50 0 BFAARN Cc1noc(-c2cccc(Br)c2)n1 ZINC000012370389 384314020 /nfs/dbraw/zinc/31/40/20/384314020.db2.gz CAJCGTZYHFBZAW-UHFFFAOYSA-N 0 0 239.072 2.808 50 0 BFAARN CC(=O)Nc1nc2cc(C)cc(C)c2s1 ZINC000004330734 384284228 /nfs/dbraw/zinc/28/42/28/384284228.db2.gz LWSNFOIVUDOAGE-UHFFFAOYSA-N 0 0 220.297 2.872 50 0 BFAARN C[C@@H](N)c1ncc(-c2ccc(F)cc2)o1 ZINC000011587063 384292583 /nfs/dbraw/zinc/29/25/83/384292583.db2.gz RKQGJMPPTDSKJB-SSDOTTSWSA-N 0 0 206.220 2.500 50 0 BFAARN Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2CC(=O)[O-])cc1 ZINC000237574497 384294052 /nfs/dbraw/zinc/29/40/52/384294052.db2.gz VLSSEQJQTAEUKH-SWLSCSKDSA-N 0 0 247.338 2.853 50 0 BFAARN CS[C@H]1CCN(C(=O)/C=C/c2ccccc2)C1 ZINC000096119998 384356030 /nfs/dbraw/zinc/35/60/30/384356030.db2.gz RKQXRSUTVQLTHW-GWJCSSMESA-N 0 0 247.363 2.664 50 0 BFAARN CCCCNC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000044817870 384357834 /nfs/dbraw/zinc/35/78/34/384357834.db2.gz PMFHLQCLILRIOO-JTQLQIEISA-N 0 0 239.290 2.509 50 0 BFAARN FC(F)(F)c1cccnc1N1CCCC1 ZINC000095081016 384358363 /nfs/dbraw/zinc/35/83/63/384358363.db2.gz BQICETOMRWQJSD-UHFFFAOYSA-N 0 0 216.206 2.701 50 0 BFAARN CC1(OC(=O)c2cncc(F)c2)CCCC1 ZINC000097102388 384359925 /nfs/dbraw/zinc/35/99/25/384359925.db2.gz KSLWOJJZIGIEDY-UHFFFAOYSA-N 0 0 223.247 2.710 50 0 BFAARN Fc1c(Cl)ccnc1Br ZINC000095093343 384362752 /nfs/dbraw/zinc/36/27/52/384362752.db2.gz MNHUVWMNRKYGGI-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN Nc1cc(Br)cc2ncccc12 ZINC000095093317 384363888 /nfs/dbraw/zinc/36/38/88/384363888.db2.gz PQSQRUCHYXVDQO-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Cc1ccnc(C(=O)c2cc(F)cc(F)c2)c1 ZINC000045028632 384368584 /nfs/dbraw/zinc/36/85/84/384368584.db2.gz HGALWUGXGDLXSU-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1nnc2n1N=CC=C(c1ccccc1)S2 ZINC000004361874 384334539 /nfs/dbraw/zinc/33/45/39/384334539.db2.gz ZGVXJJALYIPQSE-UHFFFAOYSA-N 0 0 242.307 2.567 50 0 BFAARN Nc1c(Cl)cccc1C(=O)C(F)(F)F ZINC000095828972 384399938 /nfs/dbraw/zinc/39/99/38/384399938.db2.gz MIKIJQNXZUJDAY-UHFFFAOYSA-N 0 0 223.581 2.667 50 0 BFAARN O=Cc1cc(Cl)ncc1C(F)(F)F ZINC000014982501 384412664 /nfs/dbraw/zinc/41/26/64/384412664.db2.gz TUIUCTUSVSDRSW-UHFFFAOYSA-N 0 0 209.554 2.566 50 0 BFAARN O=C(C1CC=CC1)N1CCOc2cc(F)ccc21 ZINC000077997072 384427077 /nfs/dbraw/zinc/42/70/77/384427077.db2.gz PCBBUGPHXISQSB-UHFFFAOYSA-N 0 0 247.269 2.517 50 0 BFAARN C[C@@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000096026208 384422073 /nfs/dbraw/zinc/42/20/73/384422073.db2.gz YGUDYTLAAIGCNV-GFCCVEGCSA-N 0 0 240.306 2.502 50 0 BFAARN CC1(C)OC(c2cccc(O)c2)OC1(C)C ZINC000015108446 384422612 /nfs/dbraw/zinc/42/26/12/384422612.db2.gz DWVVPNURJVIOQA-UHFFFAOYSA-N 0 0 222.284 2.995 50 0 BFAARN c1ccc(OCCn2nnc3ccccc32)cc1 ZINC000004487641 384378930 /nfs/dbraw/zinc/37/89/30/384378930.db2.gz UNOVPHFUTGTRKF-UHFFFAOYSA-N 0 0 239.278 2.510 50 0 BFAARN CC(C)c1nc(-c2cccc(N(C)C)c2)n(C)n1 ZINC000095517464 384380979 /nfs/dbraw/zinc/38/09/79/384380979.db2.gz VRUMVQMXKHYYNT-UHFFFAOYSA-N 0 0 244.342 2.672 50 0 BFAARN C[S@](=O)c1ccccc1-c1ccc(C=O)cc1 ZINC000014007631 384381049 /nfs/dbraw/zinc/38/10/49/384381049.db2.gz SCIJKDIZGGPJFV-QGZVFWFLSA-N 0 0 244.315 2.904 50 0 BFAARN O=C1CCc2ccccc2N1C[C@H]1CCCCO1 ZINC000095508664 384381175 /nfs/dbraw/zinc/38/11/75/384381175.db2.gz MANPTXJQICJWEI-CYBMUJFWSA-N 0 0 245.322 2.535 50 0 BFAARN C[C@@H](Nc1ncnc2c1CCC2)c1cccnc1 ZINC000061276757 384381515 /nfs/dbraw/zinc/38/15/15/384381515.db2.gz NPRZYKFIICQBIM-SNVBAGLBSA-N 0 0 240.310 2.533 50 0 BFAARN Nc1cc2c(F)ccc(Br)c2cn1 ZINC000095643140 384387723 /nfs/dbraw/zinc/38/77/23/384387723.db2.gz HUXWXPVYQOOSCC-UHFFFAOYSA-N 0 0 241.063 2.719 50 0 BFAARN CSC[C@H](C)N(C)c1cccc(C)n1 ZINC000097163315 384389062 /nfs/dbraw/zinc/38/90/62/384389062.db2.gz OIQGCYLDKLNZEO-JTQLQIEISA-N 0 0 210.346 2.578 50 0 BFAARN CC1(C)C[C@H](O)[C@@]23CC[C@H](O)[C@@](C)(CC[C@H]12)C3 ZINC000229762554 384425877 /nfs/dbraw/zinc/42/58/77/384425877.db2.gz BWXJQHJHGMZLBT-FUQNVFFISA-N 0 0 238.371 2.725 50 0 BFAARN Clc1ccc2cc(Br)nn2c1 ZINC000095742637 384390283 /nfs/dbraw/zinc/39/02/83/384390283.db2.gz DRCCOUCJDHZZMY-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN Cc1nc(NCc2c(F)cccc2Cl)n[nH]1 ZINC000015356881 384429329 /nfs/dbraw/zinc/42/93/29/384429329.db2.gz HPDKIOIHDIMUJB-UHFFFAOYSA-N 0 0 240.669 2.518 50 0 BFAARN COc1cc(F)ccc1-c1cccc([C@H](C)O)n1 ZINC000096148082 384437169 /nfs/dbraw/zinc/43/71/69/384437169.db2.gz JLUJQEGYONOMNY-VIFPVBQESA-N 0 0 247.269 2.950 50 0 BFAARN COc1cc(F)ccc1-c1cccc([C@@H](C)O)n1 ZINC000096148083 384437352 /nfs/dbraw/zinc/43/73/52/384437352.db2.gz JLUJQEGYONOMNY-SECBINFHSA-N 0 0 247.269 2.950 50 0 BFAARN CC(C)CCO[C@H](C)C(=O)N1CCC[C@H](C)C1 ZINC000121856149 384441755 /nfs/dbraw/zinc/44/17/55/384441755.db2.gz QRGJPVQBQIJIBQ-QWHCGFSZSA-N 0 0 241.375 2.696 50 0 BFAARN COC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000047844034 384469014 /nfs/dbraw/zinc/46/90/14/384469014.db2.gz NCGXAKPNWPIEJG-UHFFFAOYSA-N 0 0 229.235 2.661 50 0 BFAARN CC[C@@H](C)c1ccccc1NS(=O)(=O)CC ZINC000016972587 384475496 /nfs/dbraw/zinc/47/54/96/384475496.db2.gz JXUPZAUKKIZLHT-SNVBAGLBSA-N 0 0 241.356 2.962 50 0 BFAARN Cc1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000048090011 384477026 /nfs/dbraw/zinc/47/70/26/384477026.db2.gz AMFFTQLCYOBAGV-LBPRGKRZSA-N 0 0 235.327 2.535 50 0 BFAARN CC[C@H](C)c1ccccc1NS(=O)(=O)CC ZINC000016972591 384477123 /nfs/dbraw/zinc/47/71/23/384477123.db2.gz JXUPZAUKKIZLHT-JTQLQIEISA-N 0 0 241.356 2.962 50 0 BFAARN CC[C@H]1C[N@H+](CC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000252536135 384504086 /nfs/dbraw/zinc/50/40/86/384504086.db2.gz HQJYPIKIQDVROW-GXTWGEPZSA-N 0 0 247.338 2.587 50 0 BFAARN Clc1ccc(C2N3CCCN23)c(Cl)c1 ZINC000019168424 384509406 /nfs/dbraw/zinc/50/94/06/384509406.db2.gz MHSDNZOIEHWIIL-UHFFFAOYSA-N 0 0 229.110 2.928 50 0 BFAARN O=C1Nc2ccccc2N[C@@H]1c1ccccc1 ZINC000019046375 384510020 /nfs/dbraw/zinc/51/00/20/384510020.db2.gz IURISRNFECQLRH-CYBMUJFWSA-N 0 0 224.263 2.792 50 0 BFAARN CCCCNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000270465535 384535539 /nfs/dbraw/zinc/53/55/39/384535539.db2.gz GIIYAWPPVMAJSJ-CQSZACIVSA-N 0 0 247.338 2.720 50 0 BFAARN O=Cc1csc(COc2ccccc2)n1 ZINC000019723140 384535767 /nfs/dbraw/zinc/53/57/67/384535767.db2.gz LWFBPIWCVMQAMZ-UHFFFAOYSA-N 0 0 219.265 2.535 50 0 BFAARN Nc1cc(-c2cccc(Cl)c2Cl)[nH]n1 ZINC000019423430 384521341 /nfs/dbraw/zinc/52/13/41/384521341.db2.gz NKAJWUSKKGOBNF-UHFFFAOYSA-N 0 0 228.082 2.966 50 0 BFAARN c1ccc2cc(CN3CCOCC3)ccc2c1 ZINC000019634153 384532151 /nfs/dbraw/zinc/53/21/51/384532151.db2.gz GSNFMXQJEVRGBQ-UHFFFAOYSA-N 0 0 227.307 2.672 50 0 BFAARN Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000019874346 384549942 /nfs/dbraw/zinc/54/99/42/384549942.db2.gz CIJPNWKQTHELPO-UHFFFAOYSA-N 0 0 229.667 2.580 50 0 BFAARN Nc1nc2c(cccc2OCc2ccccc2)o1 ZINC000097757453 384553186 /nfs/dbraw/zinc/55/31/86/384553186.db2.gz XHVXTBTUWUBNSP-UHFFFAOYSA-N 0 0 240.262 2.989 50 0 BFAARN Cc1c(F)ccc(C=O)c1C(F)(F)F ZINC000098210800 384604974 /nfs/dbraw/zinc/60/49/74/384604974.db2.gz NPISXPQWHMSGAO-UHFFFAOYSA-N 0 0 206.138 2.965 50 0 BFAARN COC(=O)C[C@@H](c1cccc(O)c1)C(C)C ZINC000098213340 384605347 /nfs/dbraw/zinc/60/53/47/384605347.db2.gz LPNDMJQBOFLBRG-GFCCVEGCSA-N 0 0 222.284 2.695 50 0 BFAARN Cc1c(F)ccc(CO)c1C(F)(F)F ZINC000098210795 384605534 /nfs/dbraw/zinc/60/55/34/384605534.db2.gz GLTIGXNLFNIAAX-UHFFFAOYSA-N 0 0 208.154 2.645 50 0 BFAARN C/C=C/CSCc1cccc(C(=O)NC)c1 ZINC000072998664 384612919 /nfs/dbraw/zinc/61/29/19/384612919.db2.gz NJWSVLLRTJVIJZ-ONEGZZNKSA-N 0 0 235.352 2.856 50 0 BFAARN CCc1ccc(N[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000020314964 384613657 /nfs/dbraw/zinc/61/36/57/384613657.db2.gz QRIRRYASXQSVRK-NSHDSACASA-N 0 0 248.370 2.964 50 0 BFAARN O=Cc1ccc(Oc2ccnc(Cl)n2)cc1 ZINC000020357638 384613917 /nfs/dbraw/zinc/61/39/17/384613917.db2.gz VDKYAXSPQPTVOF-UHFFFAOYSA-N 0 0 234.642 2.735 50 0 BFAARN Cc1nc(N)sc1Cc1ccccc1 ZINC000020380923 384616041 /nfs/dbraw/zinc/61/60/41/384616041.db2.gz GBLYPAAOJUDNKU-UHFFFAOYSA-N 0 0 204.298 2.625 50 0 BFAARN CCCn1nc(C)c(CNc2ccon2)c1C ZINC000167798109 384626428 /nfs/dbraw/zinc/62/64/28/384626428.db2.gz UPEDZVCHZGBPBX-UHFFFAOYSA-N 0 0 234.303 2.510 50 0 BFAARN Nc1cc2c(cc1Br)CCC2 ZINC000098095579 384594471 /nfs/dbraw/zinc/59/44/71/384594471.db2.gz SZFFECLZIYWBBD-UHFFFAOYSA-N 0 0 212.090 2.520 50 0 BFAARN Nc1ncccc1C(=O)Nc1ccc(Cl)cc1 ZINC000050698737 384641670 /nfs/dbraw/zinc/64/16/70/384641670.db2.gz ALYBZTSBSGTTRM-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN CCc1cccc(NC(=O)c2cc(C)no2)c1 ZINC000006789306 384642767 /nfs/dbraw/zinc/64/27/67/384642767.db2.gz AWCCZECZYDGQAR-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN Cc1cc(C)n(CNc2ccccc2C)n1 ZINC000003162979 384675366 /nfs/dbraw/zinc/67/53/66/384675366.db2.gz ROQCKXALVPIDMS-UHFFFAOYSA-N 0 0 215.300 2.878 50 0 BFAARN C[C@@]1(Cn2ccnc2-c2ccncc2)CCCO1 ZINC000082156553 384648316 /nfs/dbraw/zinc/64/83/16/384648316.db2.gz KOVCADIYXLAUDH-AWEZNQCLSA-N 0 0 243.310 2.514 50 0 BFAARN CCNc1ccnc(-c2ccc3c(c2)CCO3)n1 ZINC000050865675 384649753 /nfs/dbraw/zinc/64/97/53/384649753.db2.gz QYHPSYIBKRMVLM-UHFFFAOYSA-N 0 0 241.294 2.510 50 0 BFAARN Cc1cc(C(=O)Nc2cccc(Cl)c2C)n[nH]1 ZINC000006942699 384651719 /nfs/dbraw/zinc/65/17/19/384651719.db2.gz OMAARISPQOUJGH-UHFFFAOYSA-N 0 0 249.701 2.932 50 0 BFAARN COC(=O)c1cc2cccc3c2n1C[C@@H](C)S3 ZINC000021163988 384652304 /nfs/dbraw/zinc/65/23/04/384652304.db2.gz MYEZLOPTMSYOED-MRVPVSSYSA-N 0 0 247.319 2.922 50 0 BFAARN CCc1ccccc1-c1nccc(NC)n1 ZINC000052202280 384724113 /nfs/dbraw/zinc/72/41/13/384724113.db2.gz HGHLJABSWTUWAA-UHFFFAOYSA-N 0 0 213.284 2.748 50 0 BFAARN CSCC(=O)N[C@H]1CCCc2ccccc21 ZINC000007264006 384676950 /nfs/dbraw/zinc/67/69/50/384676950.db2.gz DPNOBFNGSOXGRA-LBPRGKRZSA-N 0 0 235.352 2.543 50 0 BFAARN O=C(Nn1cnc2ccccc21)C1CCCCC1 ZINC000021866626 384699542 /nfs/dbraw/zinc/69/95/42/384699542.db2.gz FONFIDALFOFBLG-UHFFFAOYSA-N 0 0 243.310 2.687 50 0 BFAARN CC(C)(C)OC(=O)c1ccc(Br)o1 ZINC000082671093 384700049 /nfs/dbraw/zinc/70/00/49/384700049.db2.gz JFDAPDWITQSTRY-UHFFFAOYSA-N 0 0 247.088 2.997 50 0 BFAARN Cc1ccc(OC(F)F)c([C@H](C)O)c1 ZINC000021951628 384708893 /nfs/dbraw/zinc/70/88/93/384708893.db2.gz PPTCZXPJMACSMB-ZETCQYMHSA-N 0 0 202.200 2.650 50 0 BFAARN C/C=C/CSCc1ccc(C(N)=O)cc1 ZINC000078714469 384710984 /nfs/dbraw/zinc/71/09/84/384710984.db2.gz MGBVNWDURPPWQH-NSCUHMNNSA-N 0 0 221.325 2.595 50 0 BFAARN CCCCNC(=O)Cc1c[nH]c2ccccc12 ZINC000014093976 384712451 /nfs/dbraw/zinc/71/24/51/384712451.db2.gz KVBAACYBXQPKFE-UHFFFAOYSA-N 0 0 230.311 2.627 50 0 BFAARN Cc1cnc(Br)c(Cl)c1 ZINC000021981890 384712725 /nfs/dbraw/zinc/71/27/25/384712725.db2.gz GNNKEUJOCAJOBW-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN O=C(c1ccon1)N(CC1CC1)c1ccccc1 ZINC000084242364 384759639 /nfs/dbraw/zinc/75/96/39/384759639.db2.gz DQSZENCPRIRESK-UHFFFAOYSA-N 0 0 242.278 2.731 50 0 BFAARN Cc1ccc(Cl)c(NCc2ncc[nH]2)c1 ZINC000083351652 384761871 /nfs/dbraw/zinc/76/18/71/384761871.db2.gz DDJDTMIARYIKRF-UHFFFAOYSA-N 0 0 221.691 2.984 50 0 BFAARN CCCCNC(=O)c1ccc(C)c(OCC)c1 ZINC000084744599 384766946 /nfs/dbraw/zinc/76/69/46/384766946.db2.gz SICGGUVWBTVLJZ-UHFFFAOYSA-N 0 0 235.327 2.924 50 0 BFAARN CCN(CC)C(=O)NC[C@@H](C)c1ccccc1 ZINC000084770966 384767001 /nfs/dbraw/zinc/76/70/01/384767001.db2.gz DMDHQBQBDXYEJS-GFCCVEGCSA-N 0 0 234.343 2.842 50 0 BFAARN COC[C@H](C)Nc1ccc(F)c(Cl)c1 ZINC000053172805 384768846 /nfs/dbraw/zinc/76/88/46/384768846.db2.gz BIQPBTWBUKZUHN-ZETCQYMHSA-N 0 0 217.671 2.926 50 0 BFAARN CC(C)CCNC(=O)[C@H](C)c1ccccc1 ZINC000163530855 384818175 /nfs/dbraw/zinc/81/81/75/384818175.db2.gz BPTSQHCOELJPJZ-GFCCVEGCSA-N 0 0 219.328 2.952 50 0 BFAARN CCCCC[S@@](=O)c1nc(C)cs1 ZINC000191174547 384821343 /nfs/dbraw/zinc/82/13/43/384821343.db2.gz AKZFPGKROZDSFH-CYBMUJFWSA-N 0 0 217.359 2.749 50 0 BFAARN Cc1ccc(Sc2ccc(C(N)=O)cn2)cc1 ZINC000025066902 384837549 /nfs/dbraw/zinc/83/75/49/384837549.db2.gz QGMVWQIRAXXNGI-UHFFFAOYSA-N 0 0 244.319 2.640 50 0 BFAARN Cc1cnc(CN(C)OCc2ccccc2)o1 ZINC000090588192 384793160 /nfs/dbraw/zinc/79/31/60/384793160.db2.gz PNHPTOJQJUJAAQ-UHFFFAOYSA-N 0 0 232.283 2.547 50 0 BFAARN CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)[O-] ZINC000236908178 384807848 /nfs/dbraw/zinc/80/78/48/384807848.db2.gz LSXKWPWKWQZJNU-ZIAGYGMSSA-N 0 0 247.338 2.729 50 0 BFAARN CN(Cc1ccccc1)c1ccc(CO)cc1 ZINC000026513122 384877895 /nfs/dbraw/zinc/87/78/95/384877895.db2.gz DALUATGISVVSPA-UHFFFAOYSA-N 0 0 227.307 2.815 50 0 BFAARN O=C(C1CC1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000055531777 384887886 /nfs/dbraw/zinc/88/78/86/384887886.db2.gz RTTHNYWLUQCFHT-ZDUSSCGKSA-N 0 0 233.286 2.899 50 0 BFAARN COc1cc(C(=O)N2CCCC2)cc2occc21 ZINC000072240092 384847441 /nfs/dbraw/zinc/84/74/41/384847441.db2.gz RSCSKFMWMFOVBU-UHFFFAOYSA-N 0 0 245.278 2.677 50 0 BFAARN COc1ccccc1NC(=O)N(C)[C@@H](C)C1CC1 ZINC000025511694 384853649 /nfs/dbraw/zinc/85/36/49/384853649.db2.gz IOFVOEWBTHUHFU-JTQLQIEISA-N 0 0 248.326 2.957 50 0 BFAARN C[C@H](NC(=O)C1CCC1)c1nc2ccccc2o1 ZINC000072245223 384854867 /nfs/dbraw/zinc/85/48/67/384854867.db2.gz DNYNQVPEMDKKMF-VIFPVBQESA-N 0 0 244.294 2.805 50 0 BFAARN O=Cc1cc(-c2cccc(Cl)c2)no1 ZINC000057495132 384950882 /nfs/dbraw/zinc/95/08/82/384950882.db2.gz TZCHLLPQCIJQJS-UHFFFAOYSA-N 0 0 207.616 2.808 50 0 BFAARN CCCC(=O)c1cc2cccc(OC)c2oc1=O ZINC000057523706 384953123 /nfs/dbraw/zinc/95/31/23/384953123.db2.gz GDYZEIWGOOATJN-UHFFFAOYSA-N 0 0 246.262 2.784 50 0 BFAARN Cc1cc(C)n2nc3cccc(F)c3c2n1 ZINC000057530744 384953136 /nfs/dbraw/zinc/95/31/36/384953136.db2.gz LCLYDDYNAJGXAS-UHFFFAOYSA-N 0 0 215.231 2.638 50 0 BFAARN COC(=O)c1cc(F)cc(-c2cccc(N)c2)c1 ZINC000085210189 384927938 /nfs/dbraw/zinc/92/79/38/384927938.db2.gz VLWXZWWXHVTZSY-UHFFFAOYSA-N 0 0 245.253 2.862 50 0 BFAARN O=C1CCc2c1c(F)ccc2Br ZINC000085224919 384928525 /nfs/dbraw/zinc/92/85/25/384928525.db2.gz HNXHWYGTXAJDEC-UHFFFAOYSA-N 0 0 229.048 2.717 50 0 BFAARN Nc1cccc(CC[C@@H](O)c2ccccc2)c1 ZINC000057218488 384930581 /nfs/dbraw/zinc/93/05/81/384930581.db2.gz UVHBKKGZWQTGLV-OAHLLOKOSA-N 0 0 227.307 2.935 50 0 BFAARN O=c1[nH]ccc2ccn(Cc3ccccc3F)c21 ZINC000057218680 384933091 /nfs/dbraw/zinc/93/30/91/384933091.db2.gz ZIJSPBXTNIJWBN-UHFFFAOYSA-N 0 0 242.253 2.517 50 0 BFAARN Cc1coc(SCc2nccn2C(F)F)n1 ZINC000188350196 384933974 /nfs/dbraw/zinc/93/39/74/384933974.db2.gz LMYJYUWLIBBJRJ-UHFFFAOYSA-N 0 0 245.254 2.867 50 0 BFAARN Nc1ccc2nc(CC(F)(F)F)sc2c1 ZINC000085279133 384935618 /nfs/dbraw/zinc/93/56/18/384935618.db2.gz SJGBZDVJIAJBAI-UHFFFAOYSA-N 0 0 232.230 2.983 50 0 BFAARN CSc1nc2ccc(C(C)C)cc2c(=O)[nH]1 ZINC000057771822 384966661 /nfs/dbraw/zinc/96/66/61/384966661.db2.gz VHLYGZDDYMBGHQ-UHFFFAOYSA-N 0 0 234.324 2.768 50 0 BFAARN c1ccc(NCc2nc3n(n2)CCCCC3)cc1 ZINC000028527219 384966981 /nfs/dbraw/zinc/96/69/81/384966981.db2.gz ORVQUDDUNVVKBG-UHFFFAOYSA-N 0 0 242.326 2.617 50 0 BFAARN Cc1ccc2cccc(NCc3cc[nH]n3)c2n1 ZINC000061874968 384983920 /nfs/dbraw/zinc/98/39/20/384983920.db2.gz GTAMSRFCJDYYCL-UHFFFAOYSA-N 0 0 238.294 2.878 50 0 BFAARN c1cn(CCCSCc2ccccc2)nn1 ZINC000128060437 384990274 /nfs/dbraw/zinc/99/02/74/384990274.db2.gz ZOGWGBUPHOFWGY-UHFFFAOYSA-N 0 0 233.340 2.602 50 0 BFAARN CCOCCOc1cccc(Cl)c1 ZINC000070233491 384990216 /nfs/dbraw/zinc/99/02/16/384990216.db2.gz XBQMFLCPHQCGNU-UHFFFAOYSA-N 0 0 200.665 2.755 50 0 BFAARN O=C(/C=C\c1ccncc1)Nc1ccccc1F ZINC000098054486 385006661 /nfs/dbraw/zinc/00/66/61/385006661.db2.gz ANBTYURNPDHLNM-WAYWQWQTSA-N 0 0 242.253 2.873 50 0 BFAARN CCSc1nnc(-c2cccnc2)n1C1CC1 ZINC000058584189 385015375 /nfs/dbraw/zinc/01/53/75/385015375.db2.gz OURCSXYXZGKWMB-UHFFFAOYSA-N 0 0 246.339 2.787 50 0 BFAARN c1ccc2c(c1)cccc2NC1=NCCO1 ZINC000005162906 385020639 /nfs/dbraw/zinc/02/06/39/385020639.db2.gz FQEBDSGXTAANPO-UHFFFAOYSA-N 0 0 212.252 2.638 50 0 BFAARN CC(=O)c1sc(NCc2ccccc2)nc1N ZINC000004771991 384963476 /nfs/dbraw/zinc/96/34/76/384963476.db2.gz NYQJDIXUJUILLX-UHFFFAOYSA-N 0 0 247.323 2.540 50 0 BFAARN Cc1ccc(Oc2ncccc2CO)cc1 ZINC000003105735 385054064 /nfs/dbraw/zinc/05/40/64/385054064.db2.gz NAJDZBPSUQOZES-UHFFFAOYSA-N 0 0 215.252 2.675 50 0 BFAARN CC[C@H]1CCCCN1Cc1nnc(C(C)C)o1 ZINC000060372797 385057458 /nfs/dbraw/zinc/05/74/58/385057458.db2.gz CMXUFZBESPVELM-NSHDSACASA-N 0 0 237.347 2.958 50 0 BFAARN Cc1ccc(OC[C@H](C)NC(=O)C(C)(C)C)cc1 ZINC000060138752 385067930 /nfs/dbraw/zinc/06/79/30/385067930.db2.gz GBBYDEVYWAQMFL-LBPRGKRZSA-N 0 0 249.354 2.925 50 0 BFAARN COC(=O)c1cc2c(cc(Cl)nc2Cl)[nH]1 ZINC000030677890 385025514 /nfs/dbraw/zinc/02/55/14/385025514.db2.gz UTSLJBDIAXLXSH-UHFFFAOYSA-N 0 0 245.065 2.656 50 0 BFAARN COC(=O)c1ccc(NC(=O)C2CCC2)c(C)c1 ZINC000030933483 385032993 /nfs/dbraw/zinc/03/29/93/385032993.db2.gz FYOBQROVYIVMJF-UHFFFAOYSA-N 0 0 247.294 2.520 50 0 BFAARN Cc1ccnc(N[C@H](C)c2nccnc2C)c1 ZINC000188310399 385037607 /nfs/dbraw/zinc/03/76/07/385037607.db2.gz IGRRYTDTMDSGJH-LLVKDONJSA-N 0 0 228.299 2.662 50 0 BFAARN CCN(CC)c1ccc(N)cc1Br ZINC000059200818 385038335 /nfs/dbraw/zinc/03/83/35/385038335.db2.gz UZFLGRXTQZZGFS-UHFFFAOYSA-N 0 0 243.148 2.878 50 0 BFAARN COc1cccc(NC(=O)CC(C)C)c1 ZINC000005497627 385133306 /nfs/dbraw/zinc/13/33/06/385133306.db2.gz MRVCZHZXIBIYLL-UHFFFAOYSA-N 0 0 207.273 2.680 50 0 BFAARN O=C(C=C(C1CC1)C1CC1)Nc1ccc(F)cn1 ZINC000060380964 385098614 /nfs/dbraw/zinc/09/86/14/385098614.db2.gz MWSIAHHQFQEAEL-UHFFFAOYSA-N 0 0 246.285 2.906 50 0 BFAARN Clc1ccc2n[nH]cc2c1Br ZINC000089196335 385190492 /nfs/dbraw/zinc/19/04/92/385190492.db2.gz HBWQXAIHQCZDAB-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN O=C(C1CCC1)N1CCC[C@@H]1c1ccncc1 ZINC000032902264 385190935 /nfs/dbraw/zinc/19/09/35/385190935.db2.gz VTAWQMRTXSVVKF-CYBMUJFWSA-N 0 0 230.311 2.545 50 0 BFAARN CN(Cc1ccc(F)cc1)C(=O)C1CCC1 ZINC000032967354 385192651 /nfs/dbraw/zinc/19/26/51/385192651.db2.gz VPFVVDNZHPTGSC-UHFFFAOYSA-N 0 0 221.275 2.584 50 0 BFAARN CN(Cc1ccccc1F)C(=O)C1CCC1 ZINC000032960786 385192988 /nfs/dbraw/zinc/19/29/88/385192988.db2.gz PTSUDMYXNAZEQD-UHFFFAOYSA-N 0 0 221.275 2.584 50 0 BFAARN CC[C@@H](C)NC(=O)CCc1ccc(F)cc1 ZINC000062063107 385153648 /nfs/dbraw/zinc/15/36/48/385153648.db2.gz GWCICTKREAZZBL-SNVBAGLBSA-N 0 0 223.291 2.673 50 0 BFAARN CO[C@@H](CNc1ccccn1)c1ccccc1 ZINC000096429144 385165142 /nfs/dbraw/zinc/16/51/42/385165142.db2.gz SIQHQNNMRSAZPA-ZDUSSCGKSA-N 0 0 228.295 2.881 50 0 BFAARN CO[C@H](CNc1ccccn1)c1ccccc1 ZINC000096429145 385165973 /nfs/dbraw/zinc/16/59/73/385165973.db2.gz SIQHQNNMRSAZPA-CYBMUJFWSA-N 0 0 228.295 2.881 50 0 BFAARN Cc1cc(C)n(C[C@@H](C)Nc2cccc(F)n2)n1 ZINC000096429281 385165989 /nfs/dbraw/zinc/16/59/89/385165989.db2.gz ROLNEJZALIOOHI-SNVBAGLBSA-N 0 0 248.305 2.535 50 0 BFAARN CCCn1cc(NC(=O)C[C@@H]2C=CCC2)cn1 ZINC000096431416 385167226 /nfs/dbraw/zinc/16/72/26/385167226.db2.gz GKBOIQVXWIKREO-LLVKDONJSA-N 0 0 233.315 2.588 50 0 BFAARN CCSCC[C@@H](C)NC(=O)C[C@@H]1C=CCC1 ZINC000096433056 385168129 /nfs/dbraw/zinc/16/81/29/385168129.db2.gz FLDPAJHHNSCHFE-VXGBXAGGSA-N 0 0 241.400 2.991 50 0 BFAARN COC(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000062350342 385170111 /nfs/dbraw/zinc/17/01/11/385170111.db2.gz YQPXHTQHEFRTIN-UHFFFAOYSA-N 0 0 238.045 2.501 50 0 BFAARN CC(C)(C)c1noc(CN2CCCCCC2)n1 ZINC000071186155 385179183 /nfs/dbraw/zinc/17/91/83/385179183.db2.gz MLQWPFWPDJSISV-UHFFFAOYSA-N 0 0 237.347 2.743 50 0 BFAARN Nc1ccc(-c2ccc(-n3cccn3)cc2)cn1 ZINC000065395986 385303184 /nfs/dbraw/zinc/30/31/84/385303184.db2.gz XJJREEKCRMLNBV-UHFFFAOYSA-N 0 0 236.278 2.517 50 0 BFAARN CCCc1n[nH]c(=O)n1[C@@H](CC)c1ccccc1 ZINC000065410174 385306613 /nfs/dbraw/zinc/30/66/13/385306613.db2.gz ZLNXUGFZDVSLEK-LBPRGKRZSA-N 0 0 245.326 2.523 50 0 BFAARN CC(C)c1nccn1[C@@H](C)c1n[nH]c(C2CC2)n1 ZINC000065463878 385315862 /nfs/dbraw/zinc/31/58/62/385315862.db2.gz YUBDZGHVCBFIIC-VIFPVBQESA-N 0 0 245.330 2.611 50 0 BFAARN CC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000034165630 385272199 /nfs/dbraw/zinc/27/21/99/385272199.db2.gz QXQXBZLXIAUIBG-UHFFFAOYSA-N 0 0 220.268 2.845 50 0 BFAARN O=Cc1ccc(Br)c(Cl)c1 ZINC000034214305 385275685 /nfs/dbraw/zinc/27/56/85/385275685.db2.gz LDYVDYZLCRUOTM-UHFFFAOYSA-N 0 0 219.465 2.915 50 0 BFAARN c1ccc2[nH]c(SN3CCCC3)nc2c1 ZINC000000272804 385280175 /nfs/dbraw/zinc/28/01/75/385280175.db2.gz HBKYEMXVWUHUCV-UHFFFAOYSA-N 0 0 219.313 2.666 50 0 BFAARN CC(=O)c1ccc2[nH]c3c(c2c1)CCCC3=O ZINC000000097274 385280311 /nfs/dbraw/zinc/28/03/11/385280311.db2.gz SAVUIJLZGYGDSF-UHFFFAOYSA-N 0 0 227.263 2.890 50 0 biogenic BFAARN FC(F)(F)c1ccccc1CN1CCOCC1 ZINC000019633258 385282954 /nfs/dbraw/zinc/28/29/54/385282954.db2.gz HJNXLHRYSGRKRY-UHFFFAOYSA-N 0 0 245.244 2.538 50 0 BFAARN O=Cc1cc(F)ccc1OCCC(F)(F)F ZINC000131671602 385352675 /nfs/dbraw/zinc/35/26/75/385352675.db2.gz DSFWUMOTIOYKJJ-UHFFFAOYSA-N 0 0 236.164 2.969 50 0 BFAARN Cc1ccc(S[C@H]2CCN(C)C2=O)c(C)c1 ZINC000098010242 385355998 /nfs/dbraw/zinc/35/59/98/385355998.db2.gz ISEPUTDLZGEQQO-LBPRGKRZSA-N 0 0 235.352 2.626 50 0 BFAARN Cc1cncc(-c2noc(C(C)(C)F)n2)c1 ZINC000273753491 385375293 /nfs/dbraw/zinc/37/52/93/385375293.db2.gz RSMLNADVXOWKIT-UHFFFAOYSA-N 0 0 221.235 2.645 50 0 BFAARN O=Cc1ccc(N2CCC(F)(F)CC2)c(F)c1 ZINC000169725239 385418340 /nfs/dbraw/zinc/41/83/40/385418340.db2.gz ILLKYIQRQCJNRE-UHFFFAOYSA-N 0 0 243.228 2.874 50 0 BFAARN O=C(C1CC1)N1CCCSc2ccccc21 ZINC000012874439 385500261 /nfs/dbraw/zinc/50/02/61/385500261.db2.gz SMJZQLQYJRMNPQ-UHFFFAOYSA-N 0 0 233.336 2.925 50 0 BFAARN O=C(Nc1nccs1)c1cc(F)cc(F)c1 ZINC000003324599 385529297 /nfs/dbraw/zinc/52/92/97/385529297.db2.gz YYBZJZCHTFQXEB-UHFFFAOYSA-N 0 0 240.234 2.674 50 0 BFAARN CC[C@@H](C)n1[nH]c(=O)c2c1nc(C)cc2C ZINC000004416006 385576270 /nfs/dbraw/zinc/57/62/70/385576270.db2.gz BBGUJTVOVKTZKP-SECBINFHSA-N 0 0 219.288 2.725 50 0 BFAARN O=C1OCC[C@H]1Sc1cccc2cccnc21 ZINC000000617192 385629119 /nfs/dbraw/zinc/62/91/19/385629119.db2.gz FZSIUQSONPUERC-LLVKDONJSA-N 0 0 245.303 2.642 50 0 BFAARN Cc1ccc(C)n1NC(=O)c1ccc(C)cc1 ZINC000000616448 385613199 /nfs/dbraw/zinc/61/31/99/385613199.db2.gz JRKDHGWMMSGQJY-UHFFFAOYSA-N 0 0 228.295 2.797 50 0 BFAARN Fc1ccc(OCCC2OCCO2)cc1Cl ZINC000095734011 385638371 /nfs/dbraw/zinc/63/83/71/385638371.db2.gz QLJBEBWAHFZAEU-UHFFFAOYSA-N 0 0 246.665 2.621 50 0 BFAARN CC(C)(C)NC(=O)c1ccc2c(c1)OC(C)(C)C2 ZINC000252501546 385651356 /nfs/dbraw/zinc/65/13/56/385651356.db2.gz UHESMEHNRMPNHG-UHFFFAOYSA-N 0 0 247.338 2.928 50 0 BFAARN CCOc1nc(C)c([C@H](C)O)c2ccccc21 ZINC000252508032 385652356 /nfs/dbraw/zinc/65/23/56/385652356.db2.gz XAVLKJIXINBWCZ-JTQLQIEISA-N 0 0 231.295 2.995 50 0 BFAARN COC(=O)c1cncc2cc(Cl)ccc21 ZINC000082806810 385680679 /nfs/dbraw/zinc/68/06/79/385680679.db2.gz SJKNJIUFAPVPAI-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCO2)cc1C ZINC000001054529 385729390 /nfs/dbraw/zinc/72/93/90/385729390.db2.gz CAXVXLIMLXPGLH-GXTWGEPZSA-N 0 0 247.338 2.660 50 0 BFAARN O=C([C@H]1CCCO1)N1CCC=Cc2ccccc21 ZINC000190119045 385734182 /nfs/dbraw/zinc/73/41/82/385734182.db2.gz QIBKQSPEZYMKNU-CQSZACIVSA-N 0 0 243.306 2.616 50 0 BFAARN CCCCNc1cc(C(=O)OC)ccc1C ZINC000035036512 385737625 /nfs/dbraw/zinc/73/76/25/385737625.db2.gz YFXMDCYPLZMBFR-UHFFFAOYSA-N 0 0 221.300 2.994 50 0 BFAARN CCCCNC(=O)Nc1ccc(C(C)=O)cc1 ZINC000002102881 385808510 /nfs/dbraw/zinc/80/85/10/385808510.db2.gz DNUYTRPMHKJLSJ-UHFFFAOYSA-N 0 0 234.299 2.811 50 0 BFAARN Cc1cscc1-c1cccc(C(=O)N(C)C)n1 ZINC000215552735 385845567 /nfs/dbraw/zinc/84/55/67/385845567.db2.gz JRCJNCXHMGYSGF-UHFFFAOYSA-N 0 0 246.335 2.820 50 0 BFAARN CCCc1ccc(CN(C)Cc2cnn(C)c2)o1 ZINC000215950215 385853905 /nfs/dbraw/zinc/85/39/05/385853905.db2.gz GEQKBJNWKLFKAE-UHFFFAOYSA-N 0 0 247.342 2.598 50 0 BFAARN O=C1Nc2ccccc2/C1=C/c1ccc[nH]1 ZINC000003874586 385883780 /nfs/dbraw/zinc/88/37/80/385883780.db2.gz SEZFNTZQMWJIAI-FLIBITNWSA-N 0 0 210.236 2.507 50 0 in-vivo BFAARN Cc1ccc([C@@H](C)N[C@@H](C)c2nnc(C)o2)o1 ZINC000182569628 385876439 /nfs/dbraw/zinc/87/64/39/385876439.db2.gz CKUMTQYWJNBSHV-BDAKNGLRSA-N 0 0 235.287 2.691 50 0 BFAARN c1ccc2c(c1)ccnc2N[C@H]1C[C@@H]2OCC[C@H]12 ZINC000220576146 385970224 /nfs/dbraw/zinc/97/02/24/385970224.db2.gz AQIJPZYRYYGCFY-RDBSUJKOSA-N 0 0 240.306 2.824 50 0 BFAARN CSCC(=O)Nc1c(C)cccc1C ZINC000032968969 386013397 /nfs/dbraw/zinc/01/33/97/386013397.db2.gz JHUXOCICJRYEKI-UHFFFAOYSA-N 0 0 209.314 2.605 50 0 BFAARN CCO[C@H](C)c1nccn1CC1CCC1 ZINC000095977991 386014734 /nfs/dbraw/zinc/01/47/34/386014734.db2.gz NYPHCSVLEROFNP-SNVBAGLBSA-N 0 0 208.305 2.781 50 0 BFAARN Cc1ccc([C@@H](NC(=O)NC2CC2)C2CC2)cc1 ZINC000074016550 386015547 /nfs/dbraw/zinc/01/55/47/386015547.db2.gz YTGSUQUQMCPKDG-CQSZACIVSA-N 0 0 244.338 2.908 50 0 BFAARN O=C1c2ccccc2[C@@H]2C(=O)c3ccccc3[C@H]12 ZINC000000393508 386146517 /nfs/dbraw/zinc/14/65/17/386146517.db2.gz IJSLGPMHLYJZSU-KBPBESRZSA-N 0 0 234.254 2.947 50 0 BFAARN Cc1c(Br)nccc1OC(F)F ZINC000263623904 386157244 /nfs/dbraw/zinc/15/72/44/386157244.db2.gz LRJCGRMQIAPOCJ-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN c1ccc(N2CC[C@@H]3CCCC[C@H]32)nc1 ZINC000225261548 386180634 /nfs/dbraw/zinc/18/06/34/386180634.db2.gz ZCFZTNRSWIDGOO-NWDGAFQWSA-N 0 0 202.301 2.851 50 0 BFAARN Cc1ccc(CN(C)C(=O)C[C@@H]2C=CCC2)o1 ZINC000040465372 386205558 /nfs/dbraw/zinc/20/55/58/386205558.db2.gz FMBNNFATTDZEBL-GFCCVEGCSA-N 0 0 233.311 2.903 50 0 BFAARN CC(C)=CC(=O)NCc1ccc(F)c(C)c1 ZINC000040489506 386206282 /nfs/dbraw/zinc/20/62/82/386206282.db2.gz BGCRIQSHTBIQRR-UHFFFAOYSA-N 0 0 221.275 2.717 50 0 BFAARN Cc1ccc(C(=O)NC(C2CC2)C2CC2)s1 ZINC000040489242 386206525 /nfs/dbraw/zinc/20/65/25/386206525.db2.gz OHVYNNKXIMVKOL-UHFFFAOYSA-N 0 0 235.352 2.975 50 0 BFAARN Fc1ccc(N2Cc3ccccc3C2)nc1 ZINC000225820143 386220077 /nfs/dbraw/zinc/22/00/77/386220077.db2.gz XAMUFHUIGSSNJT-UHFFFAOYSA-N 0 0 214.243 2.741 50 0 BFAARN Cc1ccnc(N[C@@H](C)C[C@H](O)c2ccco2)c1 ZINC000225527075 386199926 /nfs/dbraw/zinc/19/99/26/386199926.db2.gz QCORGAKFCVDFRZ-RYUDHWBXSA-N 0 0 246.310 2.907 50 0 BFAARN Cc1ccc([C@@H](NC(=O)C2CC2)C2CC2)cc1 ZINC000044893054 386265578 /nfs/dbraw/zinc/26/55/78/386265578.db2.gz XBIPSFCNUMPFQE-CQSZACIVSA-N 0 0 229.323 2.972 50 0 BFAARN CN(Cc1ccc(Cl)cc1)C(=O)C1CC1 ZINC000032962319 386341993 /nfs/dbraw/zinc/34/19/93/386341993.db2.gz LSBWFYVZXVQJTJ-UHFFFAOYSA-N 0 0 223.703 2.708 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)no1 ZINC000052918034 386354359 /nfs/dbraw/zinc/35/43/59/386354359.db2.gz KFTGPOALGWOPPR-YPMHNXCESA-N 0 0 248.326 2.778 50 0 BFAARN CC(C)(C)c1nc2[nH]ccc2c(Cl)n1 ZINC000238145622 386448786 /nfs/dbraw/zinc/44/87/86/386448786.db2.gz OZTDRUMVTMLRFV-UHFFFAOYSA-N 0 0 209.680 2.909 50 0 BFAARN Cc1cnn([C@@H]2CCCCO2)c1Br ZINC000238494704 386491267 /nfs/dbraw/zinc/49/12/67/386491267.db2.gz CICXLSGHZGLVQY-QMMMGPOBSA-N 0 0 245.120 2.653 50 0 BFAARN CC[C@@H](NC(=O)OC)c1ccc(C)cc1 ZINC000013320924 386461194 /nfs/dbraw/zinc/46/11/94/386461194.db2.gz HKIYSRKBCDVDAV-LLVKDONJSA-N 0 0 207.273 2.802 50 0 BFAARN Cc1ccc(C(=O)O[C@H](C)c2cnoc2C)o1 ZINC000241869001 386545467 /nfs/dbraw/zinc/54/54/67/386545467.db2.gz STPLUKWYYZGJEO-MRVPVSSYSA-N 0 0 235.239 2.802 50 0 BFAARN O=C(Nc1nnc(-c2ccccc2)s1)C1CC1 ZINC000001356177 386548247 /nfs/dbraw/zinc/54/82/47/386548247.db2.gz ZVBAYJIZWXXUJX-UHFFFAOYSA-N 0 0 245.307 2.554 50 0 BFAARN Cc1ccnc(NC2CCCCCC2)n1 ZINC000061858934 386550177 /nfs/dbraw/zinc/55/01/77/386550177.db2.gz AJYAURYTODXXBY-UHFFFAOYSA-N 0 0 205.305 2.920 50 0 BFAARN O=C(/C=C\c1cccs1)Nc1ccncc1 ZINC000005785241 386557114 /nfs/dbraw/zinc/55/71/14/386557114.db2.gz PPLQDIRHCFZULW-ARJAWSKDSA-N 0 0 230.292 2.795 50 0 BFAARN Cc1ccc(C(=O)N[C@H](C)Cc2ccco2)o1 ZINC000040074720 386572220 /nfs/dbraw/zinc/57/22/20/386572220.db2.gz DPACNUQXAWSQPV-SECBINFHSA-N 0 0 233.267 2.542 50 0 BFAARN Cc1ccncc1NC(=O)C(C)(C)C(F)F ZINC000336329656 386653521 /nfs/dbraw/zinc/65/35/21/386653521.db2.gz QKGOUCZUTNHFLA-UHFFFAOYSA-N 0 0 228.242 2.620 50 0 BFAARN Cc1noc(C)c1-c1ccc(N2CCC2=O)cc1 ZINC000585120666 386672329 /nfs/dbraw/zinc/67/23/29/386672329.db2.gz JNXDQJLTRMVXTL-UHFFFAOYSA-N 0 0 242.278 2.695 50 0 BFAARN Cc1nc(C(=O)Nc2ccc(Cl)cc2)co1 ZINC000022606355 386726693 /nfs/dbraw/zinc/72/66/93/386726693.db2.gz PUEPQEYRBFPXGM-UHFFFAOYSA-N 0 0 236.658 2.889 50 0 BFAARN Cn1ncc2c1NC(=O)C[C@H]2c1cccs1 ZINC000049545319 386769484 /nfs/dbraw/zinc/76/94/84/386769484.db2.gz NMAZTUPCDNAHOC-SSDOTTSWSA-N 0 0 233.296 2.605 50 0 BFAARN Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cn1 ZINC000026089522 386771131 /nfs/dbraw/zinc/77/11/31/386771131.db2.gz VPCTVLCIEFDBEG-UHFFFAOYSA-N 0 0 247.685 2.691 50 0 BFAARN Cc1csc(-c2cccc(NCCO)c2)n1 ZINC000075103457 386773245 /nfs/dbraw/zinc/77/32/45/386773245.db2.gz NFGJUVDSPPXWTP-UHFFFAOYSA-N 0 0 234.324 2.523 50 0 BFAARN CO[C@]1(C)CCC[N@H+](Cc2ccsc2)C1 ZINC000280687021 386836843 /nfs/dbraw/zinc/83/68/43/386836843.db2.gz VJTQNCUXJPZLPN-GFCCVEGCSA-N 0 0 225.357 2.749 50 0 BFAARN CO[C@@]1(C)CCC[N@H+](Cc2ccsc2)C1 ZINC000280687023 386838379 /nfs/dbraw/zinc/83/83/79/386838379.db2.gz VJTQNCUXJPZLPN-LBPRGKRZSA-N 0 0 225.357 2.749 50 0 BFAARN Cc1nn(-c2ccccn2)c2nc(C)cc(C)c12 ZINC000032498052 386926098 /nfs/dbraw/zinc/92/60/98/386926098.db2.gz LNVLGPQKLXZKDC-UHFFFAOYSA-N 0 0 238.294 2.741 50 0 BFAARN Cc1cc(C(=O)Nc2ccccc2Cl)n[nH]1 ZINC000047339409 386944442 /nfs/dbraw/zinc/94/44/42/386944442.db2.gz ZIVKBIJMKIORQE-UHFFFAOYSA-N 0 0 235.674 2.624 50 0 BFAARN Cc1cccc(CSc2[nH]c(=O)ncc2C)c1 ZINC000015952220 386957282 /nfs/dbraw/zinc/95/72/82/386957282.db2.gz PCHATRZYTQEWDT-UHFFFAOYSA-N 0 0 246.335 2.679 50 0 BFAARN Cc1csc(CNc2ccc3n[nH]cc3c2)n1 ZINC000095440136 386991217 /nfs/dbraw/zinc/99/12/17/386991217.db2.gz NZWQOLZEGMEYEM-UHFFFAOYSA-N 0 0 244.323 2.940 50 0 BFAARN COc1ncccc1NC(=O)c1ccc(C)s1 ZINC000047554246 386993581 /nfs/dbraw/zinc/99/35/81/386993581.db2.gz LGLJIKCTNPGJFL-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 BFAARN Cc1cc(N)cc(CNC(=O)OC(C)(C)C)c1 ZINC000306492909 387071152 /nfs/dbraw/zinc/07/11/52/387071152.db2.gz QXFVUHGOFINSDJ-UHFFFAOYSA-N 0 0 236.315 2.602 50 0 BFAARN CCc1cc(C(=O)Nc2cccc(F)c2C)no1 ZINC000064555137 387219480 /nfs/dbraw/zinc/21/94/80/387219480.db2.gz LQUDYMHZGNNZBF-UHFFFAOYSA-N 0 0 248.257 2.937 50 0 BFAARN O=NN1C[C@]23C=CCC[C@@]2(C1)CCCC3 ZINC000005411795 387234068 /nfs/dbraw/zinc/23/40/68/387234068.db2.gz ZXBDLRFZRVQEPX-NEPJUHHUSA-N 0 0 206.289 2.880 50 0 BFAARN COCOC/C(C)=C/COCc1ccccc1 ZINC000035837587 387247269 /nfs/dbraw/zinc/24/72/69/387247269.db2.gz PJNIJQSPHBMVHQ-MDWZMJQESA-N 0 0 236.311 2.770 50 0 BFAARN CCOC(=O)c1ncoc1C1CCCC1 ZINC000043304241 387274577 /nfs/dbraw/zinc/27/45/77/387274577.db2.gz ITICYQZDJWGNOK-UHFFFAOYSA-N 0 0 209.245 2.509 50 0 BFAARN CCOC(=O)[C@@]1(C)C2=C(CCC2=O)CC[C@@H]1C ZINC000045071823 387276013 /nfs/dbraw/zinc/27/60/13/387276013.db2.gz ILALNAMAFMHOCC-LKFCYVNXSA-N 0 0 236.311 2.645 50 0 BFAARN C[C@]1(CO)CC=CC[C@H]1C1SCCS1 ZINC000071786093 387288069 /nfs/dbraw/zinc/28/80/69/387288069.db2.gz DLZUEOJCEYNJOF-GXSJLCMTSA-N 0 0 230.398 2.757 50 0 BFAARN C[C@H](NC(=O)c1ccccn1)c1cccs1 ZINC000012977600 387360826 /nfs/dbraw/zinc/36/08/26/387360826.db2.gz STCCULQAAQBCEF-VIFPVBQESA-N 0 0 232.308 2.634 50 0 BFAARN CC(=O)Nc1ccc2c(C)cc(Cl)nc2n1 ZINC000035653758 387379635 /nfs/dbraw/zinc/37/96/35/387379635.db2.gz HEWSVFVOJBURFZ-UHFFFAOYSA-N 0 0 235.674 2.550 50 0 BFAARN CC1=CC[C@H]2[C@@H](C1)[C@@H](O)[C@H]1CC=C(C)C[C@@H]1[C@H]2O ZINC000257358614 387337523 /nfs/dbraw/zinc/33/75/23/387337523.db2.gz VJTLGAFBMXQRLJ-CMXYNOPPSA-N 0 0 248.366 2.667 50 0 BFAARN O=C(Nc1nccs1)c1cccc(F)c1 ZINC000000176123 387426379 /nfs/dbraw/zinc/42/63/79/387426379.db2.gz MYBXLXCXRSXGMB-UHFFFAOYSA-N 0 0 222.244 2.535 50 0 BFAARN C[C@H](Nc1c[nH]nc1-c1ccccn1)C1CC1 ZINC000191459476 387440281 /nfs/dbraw/zinc/44/02/81/387440281.db2.gz GVYDAKXTRRIKIK-VIFPVBQESA-N 0 0 228.299 2.682 50 0 BFAARN Cc1cc(C(=O)Nc2cccnc2)c(C)o1 ZINC000001002139 387452868 /nfs/dbraw/zinc/45/28/68/387452868.db2.gz ZXOVHTUGTCCSGE-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN C[C@@H](Cc1ccoc1)NC(=O)c1ccsc1 ZINC000084837609 387454980 /nfs/dbraw/zinc/45/49/80/387454980.db2.gz FIKHIPPAYZYGRO-VIFPVBQESA-N 0 0 235.308 2.702 50 0 BFAARN Cc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000101209816 387469309 /nfs/dbraw/zinc/46/93/09/387469309.db2.gz CWHJJRXWQHGXBU-STQMWFEESA-N 0 0 243.306 2.675 50 0 BFAARN CCCc1cc(=O)n(-c2ccc(C)cc2)[nH]1 ZINC000100070144 387471353 /nfs/dbraw/zinc/47/13/53/387471353.db2.gz HKWVMUOXZSGYHF-UHFFFAOYSA-N 0 0 216.284 2.839 50 0 BFAARN O=C([C@@H]1CC=CCC1)N1Cc2ccccc2C1 ZINC000105980001 387477868 /nfs/dbraw/zinc/47/78/68/387477868.db2.gz BNSDUOSMWFGGDR-GFCCVEGCSA-N 0 0 227.307 2.885 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NCc1nc2ccccc2s1 ZINC000013012710 387478954 /nfs/dbraw/zinc/47/89/54/387478954.db2.gz XOOHHYBKKRISRR-RKDXNWHRSA-N 0 0 246.335 2.569 50 0 BFAARN CCc1nc(-c2ccc([C@@H](C)OC)cc2)n(C)n1 ZINC000426393058 387562914 /nfs/dbraw/zinc/56/29/14/387562914.db2.gz QAVDTPRCDAZSEH-SNVBAGLBSA-N 0 0 245.326 2.752 50 0 BFAARN CCCn1nccc1-c1cc(C2CC2)ncn1 ZINC000426525876 387578117 /nfs/dbraw/zinc/57/81/17/387578117.db2.gz IXIYBFACTODVGY-UHFFFAOYSA-N 0 0 228.299 2.628 50 0 BFAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccncc1 ZINC000000419834 387691593 /nfs/dbraw/zinc/69/15/93/387691593.db2.gz DRINHURIOWNUEJ-LLVKDONJSA-N 0 0 238.290 2.673 50 0 BFAARN Cc1cc(C)c(CNCC(F)F)c(C)c1 ZINC000147392356 177861131 /nfs/dbraw/zinc/86/11/31/177861131.db2.gz WSNARGXVCDDHPL-UHFFFAOYSA-N 0 0 213.271 2.967 50 0 BFAARN FC(F)Oc1ncccc1C(F)(F)F ZINC000238532777 387875168 /nfs/dbraw/zinc/87/51/68/387875168.db2.gz IKJPWHCPDUQNQI-UHFFFAOYSA-N 0 0 213.105 2.702 50 0 BFAARN Cc1cc(C)c(C)c(S[C@@H](C)C(N)=O)c1C ZINC000009377552 177853721 /nfs/dbraw/zinc/85/37/21/177853721.db2.gz CBZZZKKEFFKJRY-NSHDSACASA-N 0 0 237.368 2.886 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)c2cccnc2)[C@H]1C ZINC000245253954 387943473 /nfs/dbraw/zinc/94/34/73/387943473.db2.gz UYTYXXIMPJCQLO-NTZNESFSSA-N 0 0 232.327 2.636 50 0 BFAARN Cc1cc(C(=O)Nc2cc(F)cc(F)c2)no1 ZINC000008718580 177816245 /nfs/dbraw/zinc/81/62/45/177816245.db2.gz FWYVUTCIOVOMGY-UHFFFAOYSA-N 0 0 238.193 2.514 50 0 BFAARN C[C@H](C(=O)[O-])[N@H+](C)Cc1cccc2ccccc21 ZINC000054070413 388022952 /nfs/dbraw/zinc/02/29/52/388022952.db2.gz SLULYOAJIBQCNB-LLVKDONJSA-N 0 0 243.306 2.745 50 0 BFAARN Cc1noc(C)c1NC(=O)c1ccccc1F ZINC000084025578 388070874 /nfs/dbraw/zinc/07/08/74/388070874.db2.gz YUZOHTMXSAEDNC-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN C[C@H](NC(=O)NC1CCCCC1)c1ccccn1 ZINC000013744690 388174349 /nfs/dbraw/zinc/17/43/49/388174349.db2.gz FYIIUYIWILOZRM-NSHDSACASA-N 0 0 247.342 2.775 50 0 BFAARN CCCCCC1=C(N2CCOCC2)CCC1=O ZINC000019881174 256522082 /nfs/dbraw/zinc/52/20/82/256522082.db2.gz UIABOVWMFFTBJB-UHFFFAOYSA-N 0 0 237.343 2.999 50 0 BFAARN Fc1ccc(Cl)cc1CNc1cnccn1 ZINC000170612173 388257038 /nfs/dbraw/zinc/25/70/38/388257038.db2.gz QXSWVHCUMRLCNX-UHFFFAOYSA-N 0 0 237.665 2.881 50 0 BFAARN O=C(C(F)F)N1CC[C@H](CC2CCCC2)C1 ZINC000373342799 388241360 /nfs/dbraw/zinc/24/13/60/388241360.db2.gz CWTMIBNPJKNNPH-SNVBAGLBSA-N 0 0 231.286 2.680 50 0 BFAARN CCCC(C)(C)NC(=O)c1cc(C2CC2)n[nH]1 ZINC000065403052 388293538 /nfs/dbraw/zinc/29/35/38/388293538.db2.gz LTORWWAYTJYNQK-UHFFFAOYSA-N 0 0 235.331 2.596 50 0 BFAARN Cc1cc(C(=O)N2CCSCC2)c(C)s1 ZINC000048354087 177762930 /nfs/dbraw/zinc/76/29/30/177762930.db2.gz RHPPSUIOXHTFHI-UHFFFAOYSA-N 0 0 241.381 2.554 50 0 BFAARN Cc1cc(C(=O)N2CCSCC2)sc1C ZINC000040542238 177762666 /nfs/dbraw/zinc/76/26/66/177762666.db2.gz GFJBZQFMQKXEFP-UHFFFAOYSA-N 0 0 241.381 2.554 50 0 BFAARN Cc1noc(CN(Cc2ccccc2)C2CC2)n1 ZINC000055970955 388345030 /nfs/dbraw/zinc/34/50/30/388345030.db2.gz RPFXPLDFFQJFPQ-UHFFFAOYSA-N 0 0 243.310 2.543 50 0 BFAARN CC(=O)NCCSc1c(C)[nH]c2ccccc21 ZINC000002601597 388346501 /nfs/dbraw/zinc/34/65/01/388346501.db2.gz TUUWPMYEHGZCMP-UHFFFAOYSA-N 0 0 248.351 2.705 50 0 BFAARN O=C1OC(c2ccco2)=N/C1=C\c1ccccc1 ZINC000002825911 388351640 /nfs/dbraw/zinc/35/16/40/388351640.db2.gz DGCSPWXMYPBBSW-LUAWRHEFSA-N 0 0 239.230 2.624 50 0 BFAARN CCCn1c(C)nnc1SCc1ccccn1 ZINC000089637766 388356153 /nfs/dbraw/zinc/35/61/53/388356153.db2.gz USVKQSBGGKZUFX-UHFFFAOYSA-N 0 0 248.355 2.684 50 0 BFAARN CCN(CC)C(=O)NCc1cc2ccccc2[nH]1 ZINC000057643897 388365114 /nfs/dbraw/zinc/36/51/14/388365114.db2.gz XCRURHKFDRRWGJ-UHFFFAOYSA-N 0 0 245.326 2.719 50 0 BFAARN Nc1ncnc(NC2CCCCCC2)c1Cl ZINC000227840986 388372349 /nfs/dbraw/zinc/37/23/49/388372349.db2.gz IWYUOLYZMAQHCY-UHFFFAOYSA-N 0 0 240.738 2.847 50 0 BFAARN CCO[C@@H](C)c1noc([C@H]2CC=CCC2)n1 ZINC000089984964 388379547 /nfs/dbraw/zinc/37/95/47/388379547.db2.gz QAWWRYOGDJCVOJ-UWVGGRQHSA-N 0 0 222.288 2.991 50 0 BFAARN CC(C)c1cc(NCCCO)nc(C(C)C)n1 ZINC000090065263 388386382 /nfs/dbraw/zinc/38/63/82/388386382.db2.gz JBUNEGFVKCNGSL-UHFFFAOYSA-N 0 0 237.347 2.518 50 0 BFAARN CCONC(=O)c1ccc2cc(OC)ccc2c1 ZINC000010278186 388445465 /nfs/dbraw/zinc/44/54/65/388445465.db2.gz IVTOTWPXKWBEEL-UHFFFAOYSA-N 0 0 245.278 2.530 50 0 BFAARN CSCCC(=O)Nc1cccc(C(C)=O)c1 ZINC000010277276 388445561 /nfs/dbraw/zinc/44/55/61/388445561.db2.gz QZLFTHIRNLFFFC-UHFFFAOYSA-N 0 0 237.324 2.581 50 0 BFAARN CC(C)CCCNC(=O)[C@H]1CC=CCC1 ZINC000071800822 388446606 /nfs/dbraw/zinc/44/66/06/388446606.db2.gz LAECIEFPDXNCQG-LBPRGKRZSA-N 0 0 209.333 2.895 50 0 BFAARN CC(C)c1nc(CNC(=O)[C@H]2C[C@@H]2C)cs1 ZINC000071879565 388447273 /nfs/dbraw/zinc/44/72/73/388447273.db2.gz IOURNVBNHGRUDO-WPRPVWTQSA-N 0 0 238.356 2.539 50 0 BFAARN CN(Cc1cccnc1)C(=O)Nc1ccccc1 ZINC000008707707 388407512 /nfs/dbraw/zinc/40/75/12/388407512.db2.gz WXAOGGBSSIMZHY-UHFFFAOYSA-N 0 0 241.294 2.746 50 0 BFAARN Cc1cccc(OCc2cccc(C(N)=O)c2)c1 ZINC000040087068 388411876 /nfs/dbraw/zinc/41/18/76/388411876.db2.gz FZXGCWDZAJTKFI-UHFFFAOYSA-N 0 0 241.290 2.673 50 0 BFAARN CCONC(=O)Cc1coc2c1ccc(C)c2C ZINC000008993978 388412520 /nfs/dbraw/zinc/41/25/20/388412520.db2.gz NZJUSZSYMCZJGL-UHFFFAOYSA-N 0 0 247.294 2.660 50 0 BFAARN Cc1ccc(C)c(S[C@H](C)C(=O)N(C)C)c1 ZINC000069349329 388414208 /nfs/dbraw/zinc/41/42/08/388414208.db2.gz RNTUEFKHNRHOLM-LLVKDONJSA-N 0 0 237.368 2.872 50 0 BFAARN CCS[C@@H]1CCC[C@@H]1Nc1nc(C)ns1 ZINC000195542706 388479156 /nfs/dbraw/zinc/47/91/56/388479156.db2.gz MWHYCNYMQRYDPW-DTWKUNHWSA-N 0 0 243.401 2.933 50 0 BFAARN CCC[C@H](C)C(=O)NCc1cccs1 ZINC000040457623 388416402 /nfs/dbraw/zinc/41/64/02/388416402.db2.gz MKJBJKLILCGBAC-VIFPVBQESA-N 0 0 211.330 2.801 50 0 BFAARN O=C(NCCSCc1cccs1)C1CC1 ZINC000040463055 388416502 /nfs/dbraw/zinc/41/65/02/388416502.db2.gz WGWJRXNVJAUJTH-UHFFFAOYSA-N 0 0 241.381 2.508 50 0 BFAARN CCOCc1ccccc1CNC(=O)C1CCC1 ZINC000040504487 388418759 /nfs/dbraw/zinc/41/87/59/388418759.db2.gz XTEOFAKPOQGUHH-UHFFFAOYSA-N 0 0 247.338 2.639 50 0 BFAARN Cc1occc1C(=O)N[C@@H]1CCCc2occc21 ZINC000069530236 388419248 /nfs/dbraw/zinc/41/92/48/388419248.db2.gz KKTIJQCYBRSEGI-GFCCVEGCSA-N 0 0 245.278 2.988 50 0 BFAARN O=C(CC[C@@H]1CCCO1)Nc1cccc(F)c1 ZINC000040505858 388419454 /nfs/dbraw/zinc/41/94/54/388419454.db2.gz FVORHNUFVULIAF-LBPRGKRZSA-N 0 0 237.274 2.723 50 0 BFAARN Clc1cccnc1SC[C@@H]1CCOCO1 ZINC000069738083 388425745 /nfs/dbraw/zinc/42/57/45/388425745.db2.gz PMVBHOBDHOMZRV-QMMMGPOBSA-N 0 0 245.731 2.590 50 0 BFAARN CN(Cc1ccccc1)C(=O)Nc1cccnc1 ZINC000009322788 388429326 /nfs/dbraw/zinc/42/93/26/388429326.db2.gz KCJLVQPLFOMSFN-UHFFFAOYSA-N 0 0 241.294 2.746 50 0 BFAARN O=C1N[C@H](c2cccc(F)c2)Nc2ccccc21 ZINC000009378735 388431965 /nfs/dbraw/zinc/43/19/65/388431965.db2.gz XSKYLOSGIZCDLK-CYBMUJFWSA-N 0 0 242.253 2.680 50 0 BFAARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)o1 ZINC000009616797 388439005 /nfs/dbraw/zinc/43/90/05/388439005.db2.gz GUCHGQFKDCDHRE-CYBMUJFWSA-N 0 0 242.278 2.784 50 0 BFAARN O=C1N[C@@H](c2ccsc2)Nc2ccccc21 ZINC000009605209 388439349 /nfs/dbraw/zinc/43/93/49/388439349.db2.gz PGLBWNFBCAERDG-NSHDSACASA-N 0 0 230.292 2.602 50 0 BFAARN Cc1cccc(COc2cc(C)cnn2)c1 ZINC000253426093 388592068 /nfs/dbraw/zinc/59/20/68/388592068.db2.gz FSDUPCBPNANXEH-UHFFFAOYSA-N 0 0 214.268 2.672 50 0 BFAARN O=C(CCC1CC1)Nc1cccc2cnncc21 ZINC000253417192 388592341 /nfs/dbraw/zinc/59/23/41/388592341.db2.gz AVAMRZDPOORJOU-UHFFFAOYSA-N 0 0 241.294 2.759 50 0 BFAARN O[C@@H]1Cc2ccc(NCCCCCF)cc2C1 ZINC000253415874 388592464 /nfs/dbraw/zinc/59/24/64/388592464.db2.gz LOUSHPQFPIEJGS-CQSZACIVSA-N 0 0 237.318 2.698 50 0 BFAARN CS[C@@H]1CCC[C@H](Nc2cnccn2)C1 ZINC000227358091 388595597 /nfs/dbraw/zinc/59/55/97/388595597.db2.gz BOWKSLVJJFNLCO-VHSXEESVSA-N 0 0 223.345 2.563 50 0 BFAARN Cc1nnc(CN2CCC[C@@H]2c2ccccc2)o1 ZINC000054886574 388579505 /nfs/dbraw/zinc/57/95/05/388579505.db2.gz RNWSEIWBUSQSKL-CYBMUJFWSA-N 0 0 243.310 2.715 50 0 BFAARN Cc1cnc(CNc2ccc(F)cc2)nc1 ZINC000309687352 388664991 /nfs/dbraw/zinc/66/49/91/388664991.db2.gz HUQFAJDWFUWFOD-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN Cc1ccc(NCc2ncccn2)cc1F ZINC000054459004 388624464 /nfs/dbraw/zinc/62/44/64/388624464.db2.gz XOEOHCYJDWVUER-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN FC(F)(F)COc1cc(Cl)ccn1 ZINC000091366019 388628271 /nfs/dbraw/zinc/62/82/71/388628271.db2.gz UQUDIOBRPUWRHV-UHFFFAOYSA-N 0 0 211.570 2.676 50 0 BFAARN O=C(c1cnc2ccc(F)cn12)c1ccccc1 ZINC000514268024 388642263 /nfs/dbraw/zinc/64/22/63/388642263.db2.gz XQUTVRVWWJZXOJ-UHFFFAOYSA-N 0 0 240.237 2.704 50 0 BFAARN O=C1C[C@H]2CC[C@@H](C1)N2c1nc2ccccc2o1 ZINC000328598934 388737939 /nfs/dbraw/zinc/73/79/39/388737939.db2.gz PGNKIFKMCSCRLI-AOOOYVTPSA-N 0 0 242.278 2.528 50 0 BFAARN O=C(C1CCCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000089817995 388740437 /nfs/dbraw/zinc/74/04/37/388740437.db2.gz ADDRGZGFIJDINB-STQMWFEESA-N 0 0 221.344 2.825 50 0 BFAARN CC(C)C(=O)N1CCC[C@H]1COc1ccccc1 ZINC000079050843 388744513 /nfs/dbraw/zinc/74/45/13/388744513.db2.gz DWTANAATYQOXBU-ZDUSSCGKSA-N 0 0 247.338 2.712 50 0 BFAARN CCOc1cc(Br)ccc1O ZINC000011949682 388712029 /nfs/dbraw/zinc/71/20/29/388712029.db2.gz FHIRTCZQNMPCJR-UHFFFAOYSA-N 0 0 217.062 2.553 50 0 BFAARN CCc1cccc(N(C#N)C[C@H]2CCOC2)c1 ZINC000095965172 388795439 /nfs/dbraw/zinc/79/54/39/388795439.db2.gz WRMKHMJWINYBHO-CYBMUJFWSA-N 0 0 230.311 2.573 50 0 BFAARN CCOc1ccccc1N(C)C[C@@H]1CCOC1 ZINC000095974426 388797417 /nfs/dbraw/zinc/79/74/17/388797417.db2.gz VKMFBXHXHUXGNU-LBPRGKRZSA-N 0 0 235.327 2.558 50 0 BFAARN c1csc(CNc2nnc(CC3CC3)o2)c1 ZINC000095990089 388799250 /nfs/dbraw/zinc/79/92/50/388799250.db2.gz DFOXDTYMPHKBKM-UHFFFAOYSA-N 0 0 235.312 2.696 50 0 BFAARN CCOC[C@H](C)Nc1ccc(-n2cccn2)cc1 ZINC000095990581 388801835 /nfs/dbraw/zinc/80/18/35/388801835.db2.gz JBGRRYCDXFMPOL-LBPRGKRZSA-N 0 0 245.326 2.709 50 0 BFAARN C[C@H](Nc1cnn(CC(F)F)c1)C(C)(C)C ZINC000095991585 388802230 /nfs/dbraw/zinc/80/22/30/388802230.db2.gz LPWHHSPGBQJKKP-QMMMGPOBSA-N 0 0 231.290 2.995 50 0 BFAARN C[C@H](NCc1cncs1)c1cncc(F)c1 ZINC000096005656 388802275 /nfs/dbraw/zinc/80/22/75/388802275.db2.gz CZTKZCRIMSYGEB-QMMMGPOBSA-N 0 0 237.303 2.528 50 0 BFAARN CS[C@@H]1CCN(C(=O)c2ccccc2C)C1 ZINC000096119990 388808487 /nfs/dbraw/zinc/80/84/87/388808487.db2.gz VSVDVPUJWMJFJC-LLVKDONJSA-N 0 0 235.352 2.573 50 0 BFAARN COc1nccnc1-c1ccc2ncccc2c1 ZINC000020256623 388759091 /nfs/dbraw/zinc/75/90/91/388759091.db2.gz UDPUGXLWQSILIE-UHFFFAOYSA-N 0 0 237.262 2.700 50 0 BFAARN CC(C)(C)CNc1cccc(N2CCOCC2)c1 ZINC000095428572 388769784 /nfs/dbraw/zinc/76/97/84/388769784.db2.gz RGFKMNIKYOKTMM-UHFFFAOYSA-N 0 0 248.370 2.981 50 0 BFAARN CCOc1cc(NCc2ncc[nH]2)ccc1C ZINC000095429033 388770224 /nfs/dbraw/zinc/77/02/24/388770224.db2.gz GSBLTVKPYIZHIB-UHFFFAOYSA-N 0 0 231.299 2.729 50 0 BFAARN COC(=O)c1nc(-c2ccccc2)sc1C ZINC000095471969 388774343 /nfs/dbraw/zinc/77/43/43/388774343.db2.gz HSRAPPXGUGYGFT-UHFFFAOYSA-N 0 0 233.292 2.905 50 0 BFAARN c1ccc(Cc2noc([C@H]3CCCO3)n2)cc1 ZINC000020536280 388777678 /nfs/dbraw/zinc/77/76/78/388777678.db2.gz DSUSHLWIOWYFNC-LLVKDONJSA-N 0 0 230.267 2.512 50 0 BFAARN CNc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000000393926 388813280 /nfs/dbraw/zinc/81/32/80/388813280.db2.gz DOGAZPVCUUSMJM-UHFFFAOYSA-N 0 0 209.248 2.940 50 0 BFAARN c1sc([C@@H]2CCOC2)nc1C1CCOCC1 ZINC000096490185 388819540 /nfs/dbraw/zinc/81/95/40/388819540.db2.gz GKICGKTYXMZRQK-SNVBAGLBSA-N 0 0 239.340 2.541 50 0 BFAARN CC(C)[C@H](C)Nc1cccc(-c2nc[nH]n2)c1 ZINC000097038194 388831726 /nfs/dbraw/zinc/83/17/26/388831726.db2.gz QFWWHYRMPWDMNS-JTQLQIEISA-N 0 0 230.315 2.928 50 0 BFAARN C[C@H](Cc1ccc(F)cc1)Nc1ccnn1C ZINC000097037939 388832123 /nfs/dbraw/zinc/83/21/23/388832123.db2.gz IIQLRQAGAYCHRC-SNVBAGLBSA-N 0 0 233.290 2.602 50 0 BFAARN CCSCc1nnc(C2CC2)n1C1CC1 ZINC000097083832 388832734 /nfs/dbraw/zinc/83/27/34/388832734.db2.gz SSOXCJWLCSBAFD-UHFFFAOYSA-N 0 0 223.345 2.744 50 0 BFAARN Cc1csc(CN(C)CCOCC(C)C)n1 ZINC000252490184 388862743 /nfs/dbraw/zinc/86/27/43/388862743.db2.gz KLHFPJPXVRBBQF-UHFFFAOYSA-N 0 0 242.388 2.556 50 0 BFAARN COC(=O)CCCSc1ccoc1C ZINC000131285783 388848104 /nfs/dbraw/zinc/84/81/04/388848104.db2.gz NBNXTEPBYMWONM-UHFFFAOYSA-N 0 0 214.286 2.633 50 0 BFAARN C[C@]12CCN(c3ccccn3)C[C@H]1C2(F)F ZINC000291993518 132218583 /nfs/dbraw/zinc/21/85/83/132218583.db2.gz QRMCIJSYZKQQFU-KOLCDFICSA-N 0 0 224.254 2.563 50 0 BFAARN C[C@@H]1CN(c2ccc(N)cc2Cl)C[C@@H](C)O1 ZINC000019094112 132324290 /nfs/dbraw/zinc/32/42/90/132324290.db2.gz AFDLMBVDIMFVHA-RKDXNWHRSA-N 0 0 240.734 2.536 50 0 BFAARN CC1CCN(c2ncccc2Cl)CC1 ZINC000032853405 132335429 /nfs/dbraw/zinc/33/54/29/132335429.db2.gz BFUYUPFVRJUJLB-UHFFFAOYSA-N 0 0 210.708 2.971 50 0 BFAARN CCCn1ccnc1SCC(=O)c1ccc[nH]1 ZINC000006650803 322816381 /nfs/dbraw/zinc/81/63/81/322816381.db2.gz QPENYBDGHMAUAP-UHFFFAOYSA-N 0 0 249.339 2.596 50 0 BFAARN c1ccc(N2CCOC3(CCCCC3)C2)nc1 ZINC000301419017 132253719 /nfs/dbraw/zinc/25/37/19/132253719.db2.gz BLCKNDWEECZSCU-UHFFFAOYSA-N 0 0 232.327 2.621 50 0 BFAARN C[C@@H]1CCCCN1c1ncc(Cl)cn1 ZINC000253472184 132303962 /nfs/dbraw/zinc/30/39/62/132303962.db2.gz JZRACGGHJRLENM-MRVPVSSYSA-N 0 0 211.696 2.509 50 0 BFAARN c1coc(CN2CCN(c3ccccc3)CC2)c1 ZINC000000239231 132313077 /nfs/dbraw/zinc/31/30/77/132313077.db2.gz NIVLFNHXBUFRQE-UHFFFAOYSA-N 0 0 242.322 2.602 50 0 BFAARN Clc1cc(Cl)nc(N2CCCCC2)n1 ZINC000001634299 132314127 /nfs/dbraw/zinc/31/41/27/132314127.db2.gz VPXXDXQRYCWVSH-UHFFFAOYSA-N 0 0 232.114 2.774 50 0 BFAARN C[C@H]1CCCN(c2ccc(C=O)cc2)C1 ZINC000002538791 132315101 /nfs/dbraw/zinc/31/51/01/132315101.db2.gz QUJFTCQOSCFPEH-NSHDSACASA-N 0 0 203.285 2.735 50 0 BFAARN OC1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000002563768 132315228 /nfs/dbraw/zinc/31/52/28/132315228.db2.gz KKEZLXOOIIFZGD-UHFFFAOYSA-N 0 0 245.244 2.667 50 0 BFAARN Cc1cc(N2CCCCC2)ccc1C=O ZINC000004992637 132317389 /nfs/dbraw/zinc/31/73/89/132317389.db2.gz VOTIXHXNECBHMR-UHFFFAOYSA-N 0 0 203.285 2.798 50 0 BFAARN Nc1ccc(N2CCCCC2)c2ccncc12 ZINC000009646687 132319423 /nfs/dbraw/zinc/31/94/23/132319423.db2.gz FQYACGNUUDWZND-UHFFFAOYSA-N 0 0 227.311 2.807 50 0 BFAARN CCCNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000014398550 132322662 /nfs/dbraw/zinc/32/26/62/132322662.db2.gz LORSZRRJHLHYOZ-UHFFFAOYSA-N 0 0 246.354 2.817 50 0 BFAARN O=C1CCN(c2ccccc2Cl)CC1 ZINC000019087726 132324017 /nfs/dbraw/zinc/32/40/17/132324017.db2.gz HHTPHQOFZKEEHP-UHFFFAOYSA-N 0 0 209.676 2.509 50 0 BFAARN C[C@@H]1CN(c2ccc(Cl)cc2N)C[C@@H](C)O1 ZINC000020284877 132331220 /nfs/dbraw/zinc/33/12/20/132331220.db2.gz VGTBDTRAZIEEKB-RKDXNWHRSA-N 0 0 240.734 2.536 50 0 BFAARN ON1c2ccccc2NN=C1c1ccccc1F ZINC000025757804 132333343 /nfs/dbraw/zinc/33/33/43/132333343.db2.gz VGJFFMFJDPGYQS-UHFFFAOYSA-N 0 0 243.241 2.809 50 0 BFAARN CC(C)CCN1c2ccc(N)cc2CCC1=O ZINC000034936253 132337390 /nfs/dbraw/zinc/33/73/90/132337390.db2.gz RBVQUOCYRUOZST-UHFFFAOYSA-N 0 0 232.327 2.594 50 0 BFAARN Nc1ccc2c(c1)CCC(=O)N2CC1CCCC1 ZINC000042375036 132351222 /nfs/dbraw/zinc/35/12/22/132351222.db2.gz MZIRMBLKXDNBMF-UHFFFAOYSA-N 0 0 244.338 2.738 50 0 BFAARN C[C@@H]1C[C@H](C)CN(c2ccnc(=S)[nH]2)C1 ZINC000045918644 132355046 /nfs/dbraw/zinc/35/50/46/132355046.db2.gz KJJQFJCLZZULMT-DTORHVGOSA-N 0 0 223.345 2.621 50 0 BFAARN Cc1ccoc1C(=O)N1CCCc2ncccc21 ZINC000069349324 132390453 /nfs/dbraw/zinc/39/04/53/132390453.db2.gz LKCBCZCBOCNOGU-UHFFFAOYSA-N 0 0 242.278 2.576 50 0 BFAARN C[C@H]1CCc2ccccc2N1C(=O)[C@H]1CCCO1 ZINC000072495976 132397121 /nfs/dbraw/zinc/39/71/21/132397121.db2.gz KUCSYKALFJGRFM-SMDDNHRTSA-N 0 0 245.322 2.533 50 0 BFAARN Cc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)no1 ZINC000057466962 134785224 /nfs/dbraw/zinc/78/52/24/134785224.db2.gz SYAZFNCCIFFTNA-NSHDSACASA-N 0 0 244.294 2.816 50 0 BFAARN Cc1nnc([C@@H](C)Sc2ccccn2)o1 ZINC000059360175 134790134 /nfs/dbraw/zinc/79/01/34/134790134.db2.gz KTURFAZHOGCOGA-SSDOTTSWSA-N 0 0 221.285 2.626 50 0 BFAARN C[C@@H](Nc1ccc(F)cc1)c1cnccn1 ZINC000070024514 134907574 /nfs/dbraw/zinc/90/75/74/134907574.db2.gz JJUQVFNDXVLXKG-SECBINFHSA-N 0 0 217.247 2.789 50 0 BFAARN Oc1ccc(Oc2cccc(F)c2)nc1 ZINC000238728345 135078115 /nfs/dbraw/zinc/07/81/15/135078115.db2.gz ZNNOGOALYVWAIR-UHFFFAOYSA-N 0 0 205.188 2.719 50 0 BFAARN O=C([O-])CC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000261590498 135230853 /nfs/dbraw/zinc/23/08/53/135230853.db2.gz UONQIMGFWJJTQP-UHFFFAOYSA-N 0 0 225.332 2.507 50 0 BFAARN CCC(CC)(C[NH2+][C@@H]1CC[C@@H](C)C1)C(=O)[O-] ZINC000263061114 135329590 /nfs/dbraw/zinc/32/95/90/135329590.db2.gz MVDCRSGIRHZYEJ-GHMZBOCLSA-N 0 0 227.348 2.656 50 0 BFAARN Cc1cc(C(=O)N[C@H]2CC[C@@H](F)C2)oc1C ZINC000334276014 135332682 /nfs/dbraw/zinc/33/26/82/135332682.db2.gz NENLOPRTRVFFAW-ZJUUUORDSA-N 0 0 225.263 2.517 50 0 BFAARN CCC(CC)C(=O)N[C@@H](CCO)c1ccccc1 ZINC000279765159 135369401 /nfs/dbraw/zinc/36/94/01/135369401.db2.gz FNKQSOLGUCEXLV-AWEZNQCLSA-N 0 0 249.354 2.663 50 0 BFAARN Cc1ccc(F)c(OCc2ncccn2)c1 ZINC000085566019 135486341 /nfs/dbraw/zinc/48/63/41/135486341.db2.gz LDSRHJLJPQURTO-UHFFFAOYSA-N 0 0 218.231 2.503 50 0 BFAARN O=C1[C@@H](SC2CCCCC2)CCN1C1CC1 ZINC000089818469 135542381 /nfs/dbraw/zinc/54/23/81/135542381.db2.gz YTSIZZXNEJZWGP-LBPRGKRZSA-N 0 0 239.384 2.816 50 0 BFAARN CN(C(=O)C1CC(F)(F)C1)c1ccccc1 ZINC000335352562 136069807 /nfs/dbraw/zinc/06/98/07/136069807.db2.gz XXLIIHQUZWGRDJ-UHFFFAOYSA-N 0 0 225.238 2.695 50 0 BFAARN CC(C)Cc1nnc2sc(-c3ccco3)nn12 ZINC000011278927 397952738 /nfs/dbraw/zinc/95/27/38/397952738.db2.gz OVEWWHYRDQTNAF-UHFFFAOYSA-N 0 0 248.311 2.644 50 0 BFAARN Cc1cc(C)c(OCCn2ccnc2)c(C)c1 ZINC000000433429 397914680 /nfs/dbraw/zinc/91/46/80/397914680.db2.gz ZKXCMIQDIDVXPD-UHFFFAOYSA-N 0 0 230.311 2.887 50 0 BFAARN c1nnn(-c2ccc3c(c2)oc2ccccc23)n1 ZINC000004727431 397925839 /nfs/dbraw/zinc/92/58/39/397925839.db2.gz DBYXGKXQKDLBFG-UHFFFAOYSA-N 0 0 236.234 2.562 50 0 BFAARN CC(C)C(=O)N1CCCN(C)c2ccccc21 ZINC000169750410 397926651 /nfs/dbraw/zinc/92/66/51/397926651.db2.gz YLCMFDNWCFGCDB-UHFFFAOYSA-N 0 0 232.327 2.516 50 0 BFAARN CC1CCC(N(C(=O)NC2CC2)C2CC2)CC1 ZINC000072311245 398014566 /nfs/dbraw/zinc/01/45/66/398014566.db2.gz LUSCGRCPUBTJAD-UHFFFAOYSA-N 0 0 236.359 2.902 50 0 BFAARN Cc1cccc(N2C(=O)OCC(C)(C)C2=O)c1 ZINC000075260707 397975319 /nfs/dbraw/zinc/97/53/19/397975319.db2.gz OJDBGAVLYCQKBE-UHFFFAOYSA-N 0 0 233.267 2.504 50 0 BFAARN Nc1cc2ncccc2c(C(F)(F)F)c1 ZINC000095802891 397982807 /nfs/dbraw/zinc/98/28/07/397982807.db2.gz DTOADGCDFRAFIE-UHFFFAOYSA-N 0 0 212.174 2.836 50 0 BFAARN Cc1ccccc1CNC(=O)NCc1ccco1 ZINC000013021930 398073059 /nfs/dbraw/zinc/07/30/59/398073059.db2.gz KJSHYWQKFADWHO-UHFFFAOYSA-N 0 0 244.294 2.587 50 0 BFAARN Cc1cc(Br)c(F)c(C=O)c1 ZINC000065337046 398083236 /nfs/dbraw/zinc/08/32/36/398083236.db2.gz UWXZGMZIJCSQAE-UHFFFAOYSA-N 0 0 217.037 2.709 50 0 BFAARN CC(C)(C)OC(=O)c1cccc(Cl)n1 ZINC000065337577 398083350 /nfs/dbraw/zinc/08/33/50/398083350.db2.gz DVPHJLOQDYBPAW-UHFFFAOYSA-N 0 0 213.664 2.690 50 0 BFAARN COC(=O)C1CCC(C(F)(F)F)CC1 ZINC000066323221 398090966 /nfs/dbraw/zinc/09/09/66/398090966.db2.gz UKBPRMAOEHOALJ-UHFFFAOYSA-N 0 0 210.195 2.528 50 0 BFAARN Nc1cc(C(F)(F)F)c2cc(F)ccc2n1 ZINC000066322682 398090974 /nfs/dbraw/zinc/09/09/74/398090974.db2.gz KVVQBWAJXISTTM-UHFFFAOYSA-N 0 0 230.164 2.975 50 0 BFAARN Cc1ccc(Nc2nc(C)c(C)c(=O)[nH]2)c(C)c1 ZINC000066324450 398091463 /nfs/dbraw/zinc/09/14/63/398091463.db2.gz HSIFYNOROPAJKN-UHFFFAOYSA-N 0 0 243.310 2.747 50 0 BFAARN CCc1cc(Br)cc(CC)n1 ZINC000049587152 398051799 /nfs/dbraw/zinc/05/17/99/398051799.db2.gz QAIRPCMWTLMPCW-UHFFFAOYSA-N 0 0 214.106 2.969 50 0 BFAARN O=C([O-])c1cccc(C[NH+]2CCCCCCC2)n1 ZINC000222623036 398124744 /nfs/dbraw/zinc/12/47/44/398124744.db2.gz UPSPNRZXGYOHNB-UHFFFAOYSA-N 0 0 248.326 2.546 50 0 BFAARN CCCc1cnc(-c2ccc(CO)cc2)nc1 ZINC000032573438 322898686 /nfs/dbraw/zinc/89/86/86/322898686.db2.gz WIETZYYQTUNXAW-UHFFFAOYSA-N 0 0 228.295 2.588 50 0 BFAARN FC1=CCCN(Cc2cnc3ccccc3n2)C1 ZINC000585094314 487578379 /nfs/dbraw/zinc/57/83/79/487578379.db2.gz ITAJJLQSWOBCIS-UHFFFAOYSA-N 0 0 243.285 2.689 50 0 BFAARN Brc1snnc1-c1ccccc1 ZINC000004090562 166109642 /nfs/dbraw/zinc/10/96/42/166109642.db2.gz YLSSGJWFVIEENZ-UHFFFAOYSA-N 0 0 241.113 2.968 50 0 BFAARN CC(C)Oc1cc(O)cc(Cl)c1F ZINC000261494390 167287255 /nfs/dbraw/zinc/28/72/55/167287255.db2.gz WKAPCNSKRUUZMW-UHFFFAOYSA-N 0 0 204.628 2.972 50 0 BFAARN CN[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000035999642 409794310 /nfs/dbraw/zinc/79/43/10/409794310.db2.gz YQEZLKZALYSWHR-ZDUSSCGKSA-N 0 0 237.730 2.898 50 0 fda BFAARN COCC[C@H](C)Nc1cccc(N(C)C)c1C ZINC000097095492 410053226 /nfs/dbraw/zinc/05/32/26/410053226.db2.gz OWVKMSFWMRURKN-NSHDSACASA-N 0 0 236.359 2.898 50 0 BFAARN Brc1ccc(-c2cccnc2)nc1 ZINC000012359507 166096235 /nfs/dbraw/zinc/09/62/35/166096235.db2.gz ILJRIAPZWHYPMK-UHFFFAOYSA-N 0 0 235.084 2.906 50 0 BFAARN Brc1ccc(C2OCCCO2)cc1 ZINC000002581191 166097233 /nfs/dbraw/zinc/09/72/33/166097233.db2.gz HMXWGZTXWOBGOC-UHFFFAOYSA-N 0 0 243.100 2.885 50 0 BFAARN Brc1ccc(C2OCCO2)s1 ZINC000014808163 166097501 /nfs/dbraw/zinc/09/75/01/166097501.db2.gz XBQREIMFJKOHEL-UHFFFAOYSA-N 0 0 235.102 2.556 50 0 BFAARN Brc1ccc([C@H]2[NH2+]CCS2)cc1 ZINC000053993683 166099839 /nfs/dbraw/zinc/09/98/39/166099839.db2.gz YHMUSIBVYIZADU-VIFPVBQESA-N 0 0 244.157 2.784 50 0 BFAARN Brc1ccc2cnccc2c1 ZINC000001758073 166100319 /nfs/dbraw/zinc/10/03/19/166100319.db2.gz ZTEATMVVGQUULZ-UHFFFAOYSA-N 0 0 208.058 2.997 50 0 in-vitro BFAARN Brc1cccc2c1NCCS2 ZINC000095535175 166101847 /nfs/dbraw/zinc/10/18/47/166101847.db2.gz GIUJURUFKDHCJG-UHFFFAOYSA-N 0 0 230.130 2.967 50 0 BFAARN Brc1cnn(C2CCCC2)c1 ZINC000038074758 166106981 /nfs/dbraw/zinc/10/69/81/166106981.db2.gz DDMLTVXCHRGCFK-UHFFFAOYSA-N 0 0 215.094 2.761 50 0 BFAARN CCN(CC)C(=O)COc1ccc(C)cc1C ZINC000000444825 169749712 /nfs/dbraw/zinc/74/97/12/169749712.db2.gz YQPHPWZYWGFZFS-UHFFFAOYSA-N 0 0 235.327 2.551 50 0 BFAARN CCN(CC)C(=O)Cc1c(F)cccc1Cl ZINC000000367310 169751167 /nfs/dbraw/zinc/75/11/67/169751167.db2.gz OBOSOTLWGAHWFR-UHFFFAOYSA-N 0 0 243.709 2.890 50 0 BFAARN CCN(CC)C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000058776939 169762024 /nfs/dbraw/zinc/76/20/24/169762024.db2.gz UAZPQIBZQAYDBE-UHFFFAOYSA-N 0 0 249.310 2.589 50 0 BFAARN CC(C)(C)C(=O)N1CCc2sccc2C1 ZINC000042010589 166527010 /nfs/dbraw/zinc/52/70/10/166527010.db2.gz FATFJNYXUQZQLH-UHFFFAOYSA-N 0 0 223.341 2.679 50 0 BFAARN CC(C)(C)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000000917528 166534958 /nfs/dbraw/zinc/53/49/58/166534958.db2.gz ODMYCVLFGDYSQL-UHFFFAOYSA-N 0 0 241.360 2.820 50 0 BFAARN CC(C)(C)CC(=O)NCc1cccs1 ZINC000001054686 166550274 /nfs/dbraw/zinc/55/02/74/166550274.db2.gz HVCIORGTBOEWQU-UHFFFAOYSA-N 0 0 211.330 2.801 50 0 BFAARN CC(C)(C)CC(=O)Nc1nnc(C2CC2)s1 ZINC000002726349 166551434 /nfs/dbraw/zinc/55/14/34/166551434.db2.gz WNMNABPDSICVNR-UHFFFAOYSA-N 0 0 239.344 2.790 50 0 BFAARN CC(C)(C)CCNC(=O)c1c[nH]c2ncccc12 ZINC000064876567 166568278 /nfs/dbraw/zinc/56/82/78/166568278.db2.gz SMBVZESRDOBTFX-UHFFFAOYSA-N 0 0 245.326 2.729 50 0 BFAARN CC(C)C(=O)N1CCC(Oc2ccccc2)CC1 ZINC000049706013 166705544 /nfs/dbraw/zinc/70/55/44/166705544.db2.gz PATGCXDNNIJZGU-UHFFFAOYSA-N 0 0 247.338 2.712 50 0 BFAARN CC(C)CC(=O)Nc1ccc2nsnc2c1 ZINC000015841282 166774021 /nfs/dbraw/zinc/77/40/21/166774021.db2.gz OAMPNTOFGPXNHQ-UHFFFAOYSA-N 0 0 235.312 2.676 50 0 BFAARN CC(C)CCNc1ccc2nnc(C(C)C)n2n1 ZINC000020732711 166866969 /nfs/dbraw/zinc/86/69/69/166866969.db2.gz DAUOQLUVSSFPLS-UHFFFAOYSA-N 0 0 247.346 2.706 50 0 BFAARN C[C@H]1CCCC[C@H]1N(C)C(=O)C1CCC1 ZINC000040497948 410878042 /nfs/dbraw/zinc/87/80/42/410878042.db2.gz MCYBJECHWLBUNT-CMPLNLGQSA-N 0 0 209.333 2.824 50 0 BFAARN CC(C)CNC(=O)CSCc1ccccc1 ZINC000002961968 166984632 /nfs/dbraw/zinc/98/46/32/166984632.db2.gz SFPLNRZCIIZGDC-UHFFFAOYSA-N 0 0 237.368 2.692 50 0 BFAARN C/C=C/C=C\C(=O)N(CCOC)C1CCCC1 ZINC000103416519 410894631 /nfs/dbraw/zinc/89/46/31/410894631.db2.gz ZJSAUFDTTWYFEL-STMOGGTPSA-N 0 0 237.343 2.536 50 0 BFAARN CC(C)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000012382572 167037918 /nfs/dbraw/zinc/03/79/18/167037918.db2.gz SKXBAIGWUUQJRP-VMPITWQZSA-N 0 0 223.703 2.878 50 0 BFAARN CC(C)NC(=O)CCc1nc2ccccc2s1 ZINC000005978539 167046814 /nfs/dbraw/zinc/04/68/14/167046814.db2.gz CGVSJYXEICQEDP-UHFFFAOYSA-N 0 0 248.351 2.754 50 0 BFAARN CC(C)NC(=O)C[C@H](C)c1ccccc1 ZINC000000860217 167065402 /nfs/dbraw/zinc/06/54/02/167065402.db2.gz IAADGNRUCRJGLD-NSHDSACASA-N 0 0 205.301 2.705 50 0 BFAARN CC(C)NC(=O)Nc1nccc2ccccc21 ZINC000000984083 167079857 /nfs/dbraw/zinc/07/98/57/167079857.db2.gz BENAIYFREPPHQS-UHFFFAOYSA-N 0 0 229.283 2.765 50 0 BFAARN CC(C)NC(=O)[C@H](C)SC1CCCC1 ZINC000069415460 167083684 /nfs/dbraw/zinc/08/36/84/167083684.db2.gz PICAXYPDBNYYBI-VIFPVBQESA-N 0 0 215.362 2.575 50 0 BFAARN CC(C)NC(=O)c1cc(F)ccc1-n1cccc1 ZINC000032089899 167085942 /nfs/dbraw/zinc/08/59/42/167085942.db2.gz WJTUEJCKGLYLHF-UHFFFAOYSA-N 0 0 246.285 2.755 50 0 BFAARN CC(C)NC(=O)c1cccc2ccccc21 ZINC000000375303 167090431 /nfs/dbraw/zinc/09/04/31/167090431.db2.gz PMSNDIDROFXWJC-UHFFFAOYSA-N 0 0 213.280 2.978 50 0 BFAARN CC(C)OCC(=O)NC1(c2ccccc2)CCC1 ZINC000064308990 167183915 /nfs/dbraw/zinc/18/39/15/167183915.db2.gz HVMXVYQVKBXKTL-UHFFFAOYSA-N 0 0 247.338 2.607 50 0 BFAARN CC(C)OCCCN(C#N)c1ccc(F)cc1 ZINC000252498763 167207190 /nfs/dbraw/zinc/20/71/90/167207190.db2.gz RKPCJDKJUFOVEI-UHFFFAOYSA-N 0 0 236.290 2.928 50 0 BFAARN CC(C)Oc1ccc(CNC(=O)C2CC2)cc1 ZINC000036559435 167294171 /nfs/dbraw/zinc/29/41/71/167294171.db2.gz YLCDVKQHYPYVFF-UHFFFAOYSA-N 0 0 233.311 2.500 50 0 BFAARN CC(C)Oc1ccc(OCCn2ccnc2)cc1 ZINC000004810572 167297794 /nfs/dbraw/zinc/29/77/94/167297794.db2.gz OWVPHBAVRCPFHC-UHFFFAOYSA-N 0 0 246.310 2.749 50 0 BFAARN CC(C)SCCn1ncc2ccccc2c1=O ZINC000095378197 167334697 /nfs/dbraw/zinc/33/46/97/167334697.db2.gz OIQHWMMUVHQOBU-UHFFFAOYSA-N 0 0 248.351 2.538 50 0 BFAARN CC(C)SCc1ccnc(N(C)C)c1 ZINC000127449837 167335945 /nfs/dbraw/zinc/33/59/45/167335945.db2.gz YRULHQFKVWJIEM-UHFFFAOYSA-N 0 0 210.346 2.789 50 0 BFAARN CC(C)c1cc(NC(=O)Cc2ccsc2)n[nH]1 ZINC000049044384 167572599 /nfs/dbraw/zinc/57/25/99/167572599.db2.gz GJTYDEVVOSFXJJ-UHFFFAOYSA-N 0 0 249.339 2.776 50 0 BFAARN O=C(CC(F)(F)F)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000044601577 411138234 /nfs/dbraw/zinc/13/82/34/411138234.db2.gz IGBRBWYENLMOSF-UWVGGRQHSA-N 0 0 249.276 2.978 50 0 BFAARN CN(CCc1ccncc1)c1ccccc1 ZINC000044871104 411141538 /nfs/dbraw/zinc/14/15/38/411141538.db2.gz LOXQNCOTELLXJW-UHFFFAOYSA-N 0 0 212.296 2.761 50 0 BFAARN CC(C)c1nnc(NC(=O)c2ccccc2)s1 ZINC000000206359 167711237 /nfs/dbraw/zinc/71/12/37/167711237.db2.gz VZQRLXOQAVPAHI-UHFFFAOYSA-N 0 0 247.323 2.914 50 0 BFAARN C[C@@H](c1ccccn1)N(C(=O)C1CC1)C1CC1 ZINC000047178088 411113082 /nfs/dbraw/zinc/11/30/82/411113082.db2.gz XSUZOEVHUYTQMP-JTQLQIEISA-N 0 0 230.311 2.544 50 0 BFAARN CC/C=C(\C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000047667991 411162704 /nfs/dbraw/zinc/16/27/04/411162704.db2.gz PHEJGVNJRUBKHC-VKUYVZBCSA-N 0 0 245.322 2.983 50 0 BFAARN CNC(=O)Nc1ccccc1SC(F)F ZINC000048343871 411189668 /nfs/dbraw/zinc/18/96/68/411189668.db2.gz OKDYHANZXCJYHA-UHFFFAOYSA-N 0 0 232.255 2.753 50 0 BFAARN Cc1cc(C(=O)NC(C)(C)c2ccccc2)on1 ZINC000049303784 411229066 /nfs/dbraw/zinc/22/90/66/411229066.db2.gz XGWQPWPDELBGFH-UHFFFAOYSA-N 0 0 244.294 2.648 50 0 BFAARN CC/C=C(/C)C(=O)NCCc1cccs1 ZINC000058264436 167828075 /nfs/dbraw/zinc/82/80/75/167828075.db2.gz ZHQRXRUQSYFKMM-YHYXMXQVSA-N 0 0 223.341 2.763 50 0 BFAARN CC(C)c1noc([C@@H](C)N2CCCCC2)n1 ZINC000040496413 411328395 /nfs/dbraw/zinc/32/83/95/411328395.db2.gz GEMKLYYQKZPKGT-SNVBAGLBSA-N 0 0 223.320 2.740 50 0 BFAARN CC12CC3(C)CC(C)(C1)CC(C(N)=O)(C2)C3 ZINC000003898007 168074270 /nfs/dbraw/zinc/07/42/70/168074270.db2.gz QOKWEJPAMBATIO-UHFFFAOYSA-N 0 0 221.344 2.858 50 0 BFAARN CC1=CC[C@H](S(=O)(=O)c2ccccc2)CC1 ZINC000039247178 168121400 /nfs/dbraw/zinc/12/14/00/168121400.db2.gz RXNYIRYFWXQRBR-ZDUSSCGKSA-N 0 0 236.336 2.959 50 0 BFAARN CC1=NC(C)(C)Cc2cc3c(cc21)OCCO3 ZINC000000107818 168133122 /nfs/dbraw/zinc/13/31/22/168133122.db2.gz MYMCQYUFHFLQCL-UHFFFAOYSA-N 0 0 231.295 2.602 50 0 BFAARN CC1=NN(Cc2ccccc2)C(=O)OC1(C)C ZINC000001027255 168133980 /nfs/dbraw/zinc/13/39/80/168133980.db2.gz CSBBUMVJORHTIY-UHFFFAOYSA-N 0 0 232.283 2.793 50 0 BFAARN CC1=NN(c2ccccc2)C(=O)C1(Cl)Cl ZINC000000381044 168135445 /nfs/dbraw/zinc/13/54/45/168135445.db2.gz UJFNZIVFAMOQEI-UHFFFAOYSA-N 0 0 243.093 2.583 50 0 BFAARN CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2 ZINC000067172377 168169585 /nfs/dbraw/zinc/16/95/85/168169585.db2.gz BEDOAEXLFNFZNW-UHFFFAOYSA-N 0 0 242.322 2.512 50 0 BFAARN CC1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000016580128 168172953 /nfs/dbraw/zinc/17/29/53/168172953.db2.gz AFPQROCRBVYODS-UHFFFAOYSA-N 0 0 235.302 2.627 50 0 BFAARN CC1CCN(C(=O)NCc2ccccc2)CC1 ZINC000012851029 168173737 /nfs/dbraw/zinc/17/37/37/168173737.db2.gz ACFQCOHGQYWPEA-UHFFFAOYSA-N 0 0 232.327 2.628 50 0 BFAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC(C)CC1 ZINC000000030911 168174720 /nfs/dbraw/zinc/17/47/20/168174720.db2.gz OUHBIQYFCGFHOJ-CYBMUJFWSA-N 0 0 247.338 2.712 50 0 BFAARN CC1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000000092098 168175624 /nfs/dbraw/zinc/17/56/24/168175624.db2.gz HULIJBRQXQZUBY-UHFFFAOYSA-N 0 0 239.265 2.837 50 0 BFAARN CC1CCN(C(=O)c2ccccc2)CC1 ZINC000000029147 168175954 /nfs/dbraw/zinc/17/59/54/168175954.db2.gz BAXKIBHBAJDALN-UHFFFAOYSA-N 0 0 203.285 2.559 50 0 BFAARN CCC(=O)NCc1cccc(-c2ccncc2)c1 ZINC000032581997 168233704 /nfs/dbraw/zinc/23/37/04/168233704.db2.gz DXEYRRKZPNGIDU-UHFFFAOYSA-N 0 0 240.306 2.775 50 0 BFAARN CCC(=O)N[C@@H](CC)c1ccccc1C ZINC000072117634 168235703 /nfs/dbraw/zinc/23/57/03/168235703.db2.gz XDQNLHZZDOVRCZ-LBPRGKRZSA-N 0 0 205.301 2.972 50 0 BFAARN CCC(=O)N[C@@H](CC)Cc1ccccc1 ZINC000000270692 168236197 /nfs/dbraw/zinc/23/61/97/168236197.db2.gz SHSUMUHTZMVKHB-LBPRGKRZSA-N 0 0 205.301 2.534 50 0 BFAARN CCC(=O)N[C@@H]1CCCc2cc(OC)ccc21 ZINC000072117395 168238410 /nfs/dbraw/zinc/23/84/10/168238410.db2.gz MSWGTTJITKZSEK-CYBMUJFWSA-N 0 0 233.311 2.599 50 0 BFAARN CCC(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000036392888 168238657 /nfs/dbraw/zinc/23/86/57/168238657.db2.gz XRCDKEPVHYMGTG-SECBINFHSA-N 0 0 223.341 2.996 50 0 BFAARN CCC(=O)N[C@H](C)COc1ccc(C)c(C)c1 ZINC000072117775 168238791 /nfs/dbraw/zinc/23/87/91/168238791.db2.gz KQIQIZBWUFCQML-GFCCVEGCSA-N 0 0 235.327 2.597 50 0 BFAARN CCC(=O)N[C@H](C)c1ccc(C)cc1C ZINC000006699428 168239483 /nfs/dbraw/zinc/23/94/83/168239483.db2.gz KWHYUZMRRBAYGH-LLVKDONJSA-N 0 0 205.301 2.891 50 0 BFAARN CCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000071375926 168239774 /nfs/dbraw/zinc/23/97/74/168239774.db2.gz IEMWMCVMYBJZCE-NSHDSACASA-N 0 0 233.311 2.815 50 0 BFAARN CCC(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000012527714 168240544 /nfs/dbraw/zinc/24/05/44/168240544.db2.gz KEPLKIXOSIWNLT-OAHLLOKOSA-N 0 0 240.306 2.697 50 0 BFAARN CCC(=O)Nc1ccc(C)c(O[C@H]2CCOC2)c1 ZINC000095408072 168243934 /nfs/dbraw/zinc/24/39/34/168243934.db2.gz RUOZTUYLUSYWRW-LBPRGKRZSA-N 0 0 249.310 2.511 50 0 BFAARN CCC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000012986016 168245873 /nfs/dbraw/zinc/24/58/73/168245873.db2.gz GKJVJRTYFDTSCO-BXKDBHETSA-N 0 0 246.310 2.630 50 0 BFAARN CCC(=O)Nc1nnc(C2CCCC2)s1 ZINC000000619936 168247955 /nfs/dbraw/zinc/24/79/55/168247955.db2.gz VJPHSZFNGNXHTO-UHFFFAOYSA-N 0 0 225.317 2.544 50 0 BFAARN CCC(=O)Nc1nc2c(cccc2F)s1 ZINC000004331580 168248567 /nfs/dbraw/zinc/24/85/67/168248567.db2.gz KPRADOMRJLCTQD-UHFFFAOYSA-N 0 0 224.260 2.784 50 0 BFAARN CCC(=O)Nc1nonc1-c1ccc(C)c(C)c1 ZINC000015670756 168248990 /nfs/dbraw/zinc/24/89/90/168248990.db2.gz FXKYAFAMSWHYHE-UHFFFAOYSA-N 0 0 245.282 2.702 50 0 BFAARN CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1O ZINC000000036376 168254534 /nfs/dbraw/zinc/25/45/34/168254534.db2.gz YPTSTYVADCNXPE-UHFFFAOYSA-N 0 0 246.262 2.708 50 0 BFAARN CCC(C)(C)C(=O)Nc1nc(C)cs1 ZINC000019897674 168270287 /nfs/dbraw/zinc/27/02/87/168270287.db2.gz VUKOJFWYKGMOAA-UHFFFAOYSA-N 0 0 212.318 2.826 50 0 BFAARN CCC(C)(C)NC(=O)Nc1ccccc1 ZINC000006727109 168294127 /nfs/dbraw/zinc/29/41/27/168294127.db2.gz LUPNQNAPJJODGR-UHFFFAOYSA-N 0 0 206.289 2.997 50 0 BFAARN CCC(C)(C)NC(=O)[C@@H](SC)C(C)C ZINC000095425872 168294356 /nfs/dbraw/zinc/29/43/56/168294356.db2.gz QZDHTJIHQZRFHM-VIFPVBQESA-N 0 0 217.378 2.679 50 0 BFAARN CCC(C)(C)NC(=O)[C@H](C)Oc1ccccc1 ZINC000004702937 168295210 /nfs/dbraw/zinc/29/52/10/168295210.db2.gz XKJWJWAHIZDBTQ-NSHDSACASA-N 0 0 235.327 2.759 50 0 BFAARN CCC(C)(C)NC(=O)[C@H](SC)C(C)C ZINC000095425871 168295421 /nfs/dbraw/zinc/29/54/21/168295421.db2.gz QZDHTJIHQZRFHM-SECBINFHSA-N 0 0 217.378 2.679 50 0 BFAARN CCCc1cc(C(=O)NCc2ccccc2)no1 ZINC000003908899 411434734 /nfs/dbraw/zinc/43/47/34/411434734.db2.gz DVYMBJNLFYPHRG-UHFFFAOYSA-N 0 0 244.294 2.557 50 0 BFAARN CCCN(C)c1nnc(-c2ccoc2C)n1CC ZINC000253392612 411492102 /nfs/dbraw/zinc/49/21/02/411492102.db2.gz ASCAVSQOXMHWBB-UHFFFAOYSA-N 0 0 248.330 2.713 50 0 BFAARN CCN1C[C@H](COc2cc(C)cc(C)c2)OC1=O ZINC000071773769 170039515 /nfs/dbraw/zinc/03/95/15/170039515.db2.gz QKOVRSSEGHILAS-CYBMUJFWSA-N 0 0 249.310 2.523 50 0 BFAARN CCNC(=O)/C=C(/c1ccccc1)C(F)(F)F ZINC000057910660 170042172 /nfs/dbraw/zinc/04/21/72/170042172.db2.gz OXNZXAKQUDKXMV-NTMALXAHSA-N 0 0 243.228 2.768 50 0 BFAARN CCNC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000009613733 170070825 /nfs/dbraw/zinc/07/08/25/170070825.db2.gz ZFXWQWJAHDCCJW-UHFFFAOYSA-N 0 0 231.295 2.728 50 0 BFAARN CCNC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000096415186 170072013 /nfs/dbraw/zinc/07/20/13/170072013.db2.gz RIQRPERRNXNRIU-GFCCVEGCSA-N 0 0 234.343 2.587 50 0 BFAARN CCNC(=O)N1CCC(=Cc2ccccc2)CC1 ZINC000098018752 170072310 /nfs/dbraw/zinc/07/23/10/170072310.db2.gz PVYLXUMTJYRSRV-UHFFFAOYSA-N 0 0 244.338 2.895 50 0 BFAARN CCNC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000077538583 170072664 /nfs/dbraw/zinc/07/26/64/170072664.db2.gz CKCRTQFYLNMNSA-NSHDSACASA-N 0 0 236.315 2.926 50 0 BFAARN CCNC(=O)N[C@@H](C)CCCC(C)C ZINC000057580753 170081862 /nfs/dbraw/zinc/08/18/62/170081862.db2.gz QTIVSPBTMSDGNE-JTQLQIEISA-N 0 0 200.326 2.520 50 0 BFAARN CCNC(=O)Nc1cccc2c(C)c(C)[nH]c21 ZINC000001742867 170085024 /nfs/dbraw/zinc/08/50/24/170085024.db2.gz CHXAKEJBSVPECI-UHFFFAOYSA-N 0 0 231.299 2.926 50 0 BFAARN CCNC(=O)OCC12CC3CC(CC(C3)C1)C2 ZINC000004258174 170085547 /nfs/dbraw/zinc/08/55/47/170085547.db2.gz LWXITTNFSSJVQP-UHFFFAOYSA-N 0 0 237.343 2.949 50 0 BFAARN CCNC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC000008291458 170096966 /nfs/dbraw/zinc/09/69/66/170096966.db2.gz ZYSGLIDSUFDSLC-NSHDSACASA-N 0 0 243.306 2.743 50 0 BFAARN CCNC(=O)[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000004284429 170099293 /nfs/dbraw/zinc/09/92/93/170099293.db2.gz VUNOFAIHSALQQH-UTUOFQBUSA-N 0 0 211.349 2.831 50 0 endogenous,in-man BFAARN CCNC(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000065340095 170103344 /nfs/dbraw/zinc/10/33/44/170103344.db2.gz MJJYDEWJZUQIGL-UHFFFAOYSA-N 0 0 241.290 2.809 50 0 BFAARN CCNC(=S)Nc1nc2ccccc2s1 ZINC000034457998 170106561 /nfs/dbraw/zinc/10/65/61/170106561.db2.gz XPUDECGOZRGDMX-UHFFFAOYSA-N 0 0 237.353 2.603 50 0 BFAARN CCNC(=S)Nc1cc(Cl)ccc1C ZINC000006326194 170106751 /nfs/dbraw/zinc/10/67/51/170106751.db2.gz ZUOCSNWZNHROCV-UHFFFAOYSA-N 0 0 228.748 2.955 50 0 BFAARN CCN[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000019230086 170156098 /nfs/dbraw/zinc/15/60/98/170156098.db2.gz XBZNQKXFGBLBGI-NSHDSACASA-N 0 0 241.718 2.554 50 0 BFAARN CCNc1nc(Cl)cc(C(F)(F)F)n1 ZINC000001396692 170177043 /nfs/dbraw/zinc/17/70/43/170177043.db2.gz HDLQZVWCSCPLLU-UHFFFAOYSA-N 0 0 225.601 2.581 50 0 BFAARN CCNc1nnc(SCC(C)C)s1 ZINC000048397798 170179148 /nfs/dbraw/zinc/17/91/48/170179148.db2.gz ZPMNVDJDUIEBRO-UHFFFAOYSA-N 0 0 217.363 2.718 50 0 BFAARN CCOC(=O)/C(C)=C\c1ccc(C)cc1 ZINC000095740527 170182309 /nfs/dbraw/zinc/18/23/09/170182309.db2.gz OYLIWRZHBODATL-LUAWRHEFSA-N 0 0 204.269 2.961 50 0 BFAARN CCOC(=O)C(=O)c1cc(Cl)ccc1Cl ZINC000042898811 170184749 /nfs/dbraw/zinc/18/47/49/170184749.db2.gz OUWSHRVGVNBTAE-UHFFFAOYSA-N 0 0 247.077 2.739 50 0 BFAARN CCOC(=O)C(=O)c1cccc(C(C)C)c1 ZINC000043504516 170185124 /nfs/dbraw/zinc/18/51/24/170185124.db2.gz UOCLTFGZXHMJGO-UHFFFAOYSA-N 0 0 220.268 2.556 50 0 BFAARN CCOC(=O)C(F)(F)c1cc(C)cc(C)c1 ZINC000052232574 170188558 /nfs/dbraw/zinc/18/85/58/170188558.db2.gz ZBVWSEHPRHFLOP-UHFFFAOYSA-N 0 0 228.238 2.958 50 0 BFAARN CCOC(=O)C1(Br)CCCCC1 ZINC000001563623 170189146 /nfs/dbraw/zinc/18/91/46/170189146.db2.gz DAJRAUFUJGNWDE-UHFFFAOYSA-N 0 0 235.121 2.647 50 0 BFAARN CCOC(=O)C=C(C(F)(F)F)C(F)(F)F ZINC000002168559 170193394 /nfs/dbraw/zinc/19/33/94/170193394.db2.gz CULZFNOUPBWSIZ-UHFFFAOYSA-N 0 0 236.111 2.601 50 0 BFAARN CCOC(=O)CCC(=O)c1sccc1C ZINC000043214426 170198861 /nfs/dbraw/zinc/19/88/61/170198861.db2.gz HGQZIAJXHYVOMG-UHFFFAOYSA-N 0 0 226.297 2.583 50 0 BFAARN CCOC(=O)CCCC(=O)c1ccc(F)cc1 ZINC000002574588 170198881 /nfs/dbraw/zinc/19/88/81/170198881.db2.gz TWLQYFQKWODQQD-UHFFFAOYSA-N 0 0 238.258 2.742 50 0 BFAARN CCOC(=O)CCC(=O)c1cccc(F)c1C ZINC000043214446 170198929 /nfs/dbraw/zinc/19/89/29/170198929.db2.gz IBVSHZSWVGWPND-UHFFFAOYSA-N 0 0 238.258 2.660 50 0 BFAARN CCOC(=O)CCCCC(=O)C(C)(C)C ZINC000002379043 170199009 /nfs/dbraw/zinc/19/90/09/170199009.db2.gz QDVSKMBKORYSQW-UHFFFAOYSA-N 0 0 214.305 2.725 50 0 BFAARN CCOC(=O)CNc1ccc(C(F)(F)F)cc1 ZINC000000103753 170226907 /nfs/dbraw/zinc/22/69/07/170226907.db2.gz MNUDPPZEGATPIA-UHFFFAOYSA-N 0 0 247.216 2.680 50 0 BFAARN CCOC(=O)Cc1ccc2sc(C)nc2c1 ZINC000003207021 170236387 /nfs/dbraw/zinc/23/63/87/170236387.db2.gz YUFLLWROFACHAG-UHFFFAOYSA-N 0 0 235.308 2.710 50 0 BFAARN CCOC(=O)Cc1nc2c(cccc2Cl)o1 ZINC000095835894 170236837 /nfs/dbraw/zinc/23/68/37/170236837.db2.gz WEGKCVYCZQSJLF-UHFFFAOYSA-N 0 0 239.658 2.587 50 0 BFAARN CCOC(=O)Cn1c(C)cc2cc(F)ccc21 ZINC000095707378 170237273 /nfs/dbraw/zinc/23/72/73/170237273.db2.gz XCVUPRULBFEFCC-UHFFFAOYSA-N 0 0 235.258 2.652 50 0 BFAARN CCOC(=O)N1c2ccccc2C[C@H]1C ZINC000001053338 170240799 /nfs/dbraw/zinc/24/07/99/170240799.db2.gz JBZMYSYCWRTAJK-SECBINFHSA-N 0 0 205.257 2.594 50 0 BFAARN CCOC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000040485736 170244227 /nfs/dbraw/zinc/24/42/27/170244227.db2.gz ODDWURWPVDONJO-UHFFFAOYSA-N 0 0 248.282 2.604 50 0 BFAARN CCOC(=O)[C@@H](CC)Oc1ccc(F)cc1 ZINC000006603642 170250926 /nfs/dbraw/zinc/25/09/26/170250926.db2.gz RUZIVYOPFLJDGQ-LLVKDONJSA-N 0 0 226.247 2.546 50 0 BFAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000002731987 170269102 /nfs/dbraw/zinc/26/91/02/170269102.db2.gz WEMKCYKPXXBMFS-JTQLQIEISA-N 0 0 234.295 2.506 50 0 BFAARN CCOC(=O)[C@H]([C@@H](C)CC)n1cccc1 ZINC000012404601 170278863 /nfs/dbraw/zinc/27/88/63/170278863.db2.gz RGEPVMUUYVYHRJ-QWRGUYRKSA-N 0 0 209.289 2.638 50 0 BFAARN CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC000003399190 170286765 /nfs/dbraw/zinc/28/67/65/170286765.db2.gz NSZWVSKVSFAGFP-UHFFFAOYSA-N 0 0 249.310 2.655 50 0 BFAARN CCOC(=O)c1[nH]c2ccccc2c1CC ZINC000012860832 170286881 /nfs/dbraw/zinc/28/68/81/170286881.db2.gz PUTGRHQJZXLFEJ-UHFFFAOYSA-N 0 0 217.268 2.907 50 0 BFAARN CCOC(=O)c1c(N)scc1C(C)(C)C ZINC000002541434 170287458 /nfs/dbraw/zinc/28/74/58/170287458.db2.gz IWVRKUNQDJPEOB-UHFFFAOYSA-N 0 0 227.329 2.805 50 0 BFAARN CCOC(=O)c1c(N)scc1C(F)(F)F ZINC000090464052 170287604 /nfs/dbraw/zinc/28/76/04/170287604.db2.gz XXOJAIFAWOOYMV-UHFFFAOYSA-N 0 0 239.218 2.526 50 0 BFAARN CCOC(=O)c1c(C)n[nH]c1-c1ccccc1 ZINC000019046030 170288124 /nfs/dbraw/zinc/28/81/24/170288124.db2.gz NIVCIGONLNLBNV-UHFFFAOYSA-N 0 0 230.267 2.562 50 0 BFAARN CCOC(=O)c1c(C)[nH]nc1Nc1ccccc1 ZINC000000595780 170288291 /nfs/dbraw/zinc/28/82/91/170288291.db2.gz KKCODVXPLCOIJD-UHFFFAOYSA-N 0 0 245.282 2.638 50 0 BFAARN CCOC(=O)c1c(N)sc2c1CC[C@H](C)C2 ZINC000000080931 170289107 /nfs/dbraw/zinc/28/91/07/170289107.db2.gz WSOISFMHBFFWRQ-ZETCQYMHSA-N 0 0 239.340 2.632 50 0 BFAARN CCOC(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000000266303 170289944 /nfs/dbraw/zinc/28/99/44/170289944.db2.gz QVTSWNIDYMQSIJ-UHFFFAOYSA-N 0 0 231.251 2.827 50 0 BFAARN CCOC(=O)c1cc(-c2ccccc2OC)no1 ZINC000000376537 170290510 /nfs/dbraw/zinc/29/05/10/170290510.db2.gz SOATVTJZXPTEGW-UHFFFAOYSA-N 0 0 247.250 2.527 50 0 BFAARN CCOC(=O)c1cc(-c2cccs2)on1 ZINC000000123358 170290960 /nfs/dbraw/zinc/29/09/60/170290960.db2.gz YPIUQIUZEYMWAX-UHFFFAOYSA-N 0 0 223.253 2.580 50 0 BFAARN CCOC(=O)c1ccc(-c2ncccc2C)o1 ZINC000045028405 170294593 /nfs/dbraw/zinc/29/45/93/170294593.db2.gz KMKNEXVFJQBPCB-UHFFFAOYSA-N 0 0 231.251 2.827 50 0 BFAARN CCOC(=O)c1ccc(C)cc1Br ZINC000044200657 170295202 /nfs/dbraw/zinc/29/52/02/170295202.db2.gz DGEYHLPWGQVMQQ-UHFFFAOYSA-N 0 0 243.100 2.934 50 0 BFAARN CCOC(=O)c1ccc(C)c(OCC)c1 ZINC000059714481 170295666 /nfs/dbraw/zinc/29/56/66/170295666.db2.gz JEUNHRSFFDHSOX-UHFFFAOYSA-N 0 0 208.257 2.570 50 0 BFAARN CCOC(=O)c1cccc(Br)c1 ZINC000000389583 170298365 /nfs/dbraw/zinc/29/83/65/170298365.db2.gz QAUASTLEZAPQTB-UHFFFAOYSA-N 0 0 229.073 2.626 50 0 BFAARN CCOC(=O)c1ccc2nc(C)n(CC)c2c1 ZINC000004623390 170298446 /nfs/dbraw/zinc/29/84/46/170298446.db2.gz XVRWIBBYNFDCII-UHFFFAOYSA-N 0 0 232.283 2.541 50 0 BFAARN CCOC(=O)c1ccccc1-c1cccnc1 ZINC000038364301 170299101 /nfs/dbraw/zinc/29/91/01/170299101.db2.gz ZWYKSNWZBPGCDQ-UHFFFAOYSA-N 0 0 227.263 2.925 50 0 BFAARN CCOC(=O)c1cccc2[nH]c(C)c(C)c21 ZINC000066324216 170299186 /nfs/dbraw/zinc/29/91/86/170299186.db2.gz VVRLKZYNHIHXGT-UHFFFAOYSA-N 0 0 217.268 2.961 50 0 BFAARN CCOC(=O)c1cnc(Cl)cc1Cl ZINC000000331074 170301199 /nfs/dbraw/zinc/30/11/99/170301199.db2.gz AAUBVINEXCCXOK-UHFFFAOYSA-N 0 0 220.055 2.565 50 0 BFAARN CCOC(=O)c1coc(-c2ccccc2)n1 ZINC000032131573 170304423 /nfs/dbraw/zinc/30/44/23/170304423.db2.gz OMURDPWNJICYDW-UHFFFAOYSA-N 0 0 217.224 2.518 50 0 BFAARN CCOC(=O)c1nc(-c2ccccc2)[nH]c1C ZINC000019737173 170305831 /nfs/dbraw/zinc/30/58/31/170305831.db2.gz NBVIVZIQTRTTBY-UHFFFAOYSA-N 0 0 230.267 2.562 50 0 BFAARN CCOC(=O)c1oc2cccc(OC)c2c1C ZINC000008383162 170309715 /nfs/dbraw/zinc/30/97/15/170309715.db2.gz XXTYIQLNYBGSED-UHFFFAOYSA-N 0 0 234.251 2.927 50 0 BFAARN CCOC(=O)c1nnc(-c2ccccc2C)s1 ZINC000259651723 170309781 /nfs/dbraw/zinc/30/97/81/170309781.db2.gz PYKBDVYQINAVED-UHFFFAOYSA-N 0 0 248.307 2.690 50 0 BFAARN CCOC(=O)c1scnc1-c1ccccc1 ZINC000028109744 170310830 /nfs/dbraw/zinc/31/08/30/170310830.db2.gz VUBSBLCFFDSRJO-UHFFFAOYSA-N 0 0 233.292 2.987 50 0 BFAARN CCOC(=O)n1c2ccccc2nc1SC ZINC000000367580 170312029 /nfs/dbraw/zinc/31/20/29/170312029.db2.gz ITKPDTDHIBATFB-UHFFFAOYSA-N 0 0 236.296 2.763 50 0 BFAARN CCOC(CCOc1cccc(F)c1)OCC ZINC000075767576 170314832 /nfs/dbraw/zinc/31/48/32/170314832.db2.gz LHBHAEKTUKQRIQ-UHFFFAOYSA-N 0 0 242.290 2.994 50 0 BFAARN CCOC(CCn1c(C)ccc1C)OCC ZINC000047843940 170314983 /nfs/dbraw/zinc/31/49/83/170314983.db2.gz AWLGANVJZVKIIN-UHFFFAOYSA-N 0 0 225.332 2.894 50 0 BFAARN CCOC(CCOc1ccccc1F)OCC ZINC000078209374 170315004 /nfs/dbraw/zinc/31/50/04/170315004.db2.gz HGKPXCDJAOREKR-UHFFFAOYSA-N 0 0 242.290 2.994 50 0 BFAARN CCOC(COc1ccc(C)cc1)OCC ZINC000014807263 170316265 /nfs/dbraw/zinc/31/62/65/170316265.db2.gz PQSIJEAZEVYENF-UHFFFAOYSA-N 0 0 224.300 2.773 50 0 BFAARN CCOC(Cn1nc(C)c(Cl)c1C)OCC ZINC000066324249 170316320 /nfs/dbraw/zinc/31/63/20/170316320.db2.gz JFUPTSPWUBPIBH-UHFFFAOYSA-N 0 0 246.738 2.552 50 0 BFAARN CCONC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000022874796 170468288 /nfs/dbraw/zinc/46/82/88/170468288.db2.gz BWPZZOZFWCMUJD-UHFFFAOYSA-N 0 0 249.241 2.767 50 0 BFAARN CCOc1ccc(C(=O)NC(C)C)cc1Cl ZINC000072441889 170537117 /nfs/dbraw/zinc/53/71/17/170537117.db2.gz SSXWGBZWTUWTQM-UHFFFAOYSA-N 0 0 241.718 2.877 50 0 BFAARN CCOc1ccc(C(=S)N2CCCC2)cc1 ZINC000002826375 170538927 /nfs/dbraw/zinc/53/89/27/170538927.db2.gz NEMTVQWOBCSJQG-UHFFFAOYSA-N 0 0 235.352 2.857 50 0 BFAARN CCOc1ccc(NC(=O)c2cccnc2)cc1 ZINC000000134630 170551752 /nfs/dbraw/zinc/55/17/52/170551752.db2.gz JCVRNYMBCSKYJO-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN CCOc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000013329290 170562491 /nfs/dbraw/zinc/56/24/91/170562491.db2.gz UPIVXKPPLYIXHK-COPLHBTASA-N 0 0 247.338 2.919 50 0 BFAARN CCOc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC000010120517 170573483 /nfs/dbraw/zinc/57/34/83/170573483.db2.gz XSVIKNYGCKQELG-JTQLQIEISA-N 0 0 221.300 2.614 50 0 BFAARN CCOc1ccccc1N(C)Cc1cncnc1 ZINC000188694798 170594522 /nfs/dbraw/zinc/59/45/22/170594522.db2.gz YSEVKAKVQLHKNV-UHFFFAOYSA-N 0 0 243.310 2.512 50 0 BFAARN CCOc1nc(C(Cl)(Cl)Cl)ns1 ZINC000001605809 170602372 /nfs/dbraw/zinc/60/23/72/170602372.db2.gz KQTVWCSONPJJPE-UHFFFAOYSA-N 0 0 247.534 2.764 50 0 in-vitro BFAARN CCS[C@H]1CCC[C@@H]1NC(=O)C1CCCC1 ZINC000096450671 170652350 /nfs/dbraw/zinc/65/23/50/170652350.db2.gz IOKQYDOGBPGVPN-RYUDHWBXSA-N 0 0 241.400 2.967 50 0 BFAARN CCSc1ccc(-c2cnc(N)nc2)cc1 ZINC000032577689 170653541 /nfs/dbraw/zinc/65/35/41/170653541.db2.gz IFJSYCNBCWTFPA-UHFFFAOYSA-N 0 0 231.324 2.838 50 0 BFAARN CCSc1nnc2c3ccccc3[nH]c2n1 ZINC000002489940 170658441 /nfs/dbraw/zinc/65/84/41/170658441.db2.gz KCOXSIPWRNPXCP-UHFFFAOYSA-N 0 0 230.296 2.618 50 0 BFAARN CC[C@@H](C)C(=O)NCCc1cccc(F)c1 ZINC000044895878 170680205 /nfs/dbraw/zinc/68/02/05/170680205.db2.gz LVHGQQAYSAOIFN-SNVBAGLBSA-N 0 0 223.291 2.531 50 0 BFAARN CC[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000032895557 170682675 /nfs/dbraw/zinc/68/26/75/170682675.db2.gz LUDDLWSNQHGSRM-SSDOTTSWSA-N 0 0 213.227 2.949 50 0 BFAARN CC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(C)c1 ZINC000014397118 170747255 /nfs/dbraw/zinc/74/72/55/170747255.db2.gz XJWYOJRJIJAQQF-NEPJUHHUSA-N 0 0 235.327 2.677 50 0 BFAARN CC[C@@H](NC(=O)c1ccccn1)c1ccccc1 ZINC000004783738 170886105 /nfs/dbraw/zinc/88/61/05/170886105.db2.gz PAXGZHDLMSJCFZ-CYBMUJFWSA-N 0 0 240.306 2.963 50 0 BFAARN CC[C@@H]1CCCN(C(=O)c2scnc2C)C1 ZINC000040533996 170974427 /nfs/dbraw/zinc/97/44/27/170974427.db2.gz DRMUIABKIVEVQX-SNVBAGLBSA-N 0 0 238.356 2.714 50 0 BFAARN CC[C@@](C)(O)[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000096319417 171187383 /nfs/dbraw/zinc/18/73/83/171187383.db2.gz WJKSDILBKCMZDO-ZIAGYGMSSA-N 0 0 233.311 2.649 50 0 BFAARN CC[C@H](C)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000065491045 171248479 /nfs/dbraw/zinc/24/84/79/171248479.db2.gz HAEVUMVRGZSTNO-IUCAKERBSA-N 0 0 237.265 2.833 50 0 BFAARN CC[C@H](C)C(=O)NCCc1cccc(F)c1 ZINC000044895880 171250999 /nfs/dbraw/zinc/25/09/99/171250999.db2.gz LVHGQQAYSAOIFN-JTQLQIEISA-N 0 0 223.291 2.531 50 0 BFAARN CC[C@H](C)C(=O)NC[C@H](OC)c1ccccc1 ZINC000042751156 171252386 /nfs/dbraw/zinc/25/23/86/171252386.db2.gz PTKOUHHFMXRAAI-AAEUAGOBSA-N 0 0 235.327 2.536 50 0 BFAARN CC[C@H](C)C(=O)Nc1nnc(C(C)C)s1 ZINC000000380321 171256820 /nfs/dbraw/zinc/25/68/20/171256820.db2.gz KHMSEFDOKHSBAO-ZETCQYMHSA-N 0 0 227.333 2.646 50 0 BFAARN CC[C@H](C)NC(=O)/C=C\c1cccs1 ZINC000033744185 171321578 /nfs/dbraw/zinc/32/15/78/171321578.db2.gz QGOXWQRHIFKHEA-NMTCXDENSA-N 0 0 209.314 2.676 50 0 BFAARN CC[C@H](C)NC(=O)N1CCc2ccccc2C1 ZINC000013746228 171329181 /nfs/dbraw/zinc/32/91/81/171329181.db2.gz UMBNFGJDEDHZCD-NSHDSACASA-N 0 0 232.327 2.553 50 0 BFAARN CC[C@H](C)NC(=O)Nc1cccc(C)c1 ZINC000002764739 171331150 /nfs/dbraw/zinc/33/11/50/171331150.db2.gz CTFKFWPZAPCZSI-JTQLQIEISA-N 0 0 206.289 2.915 50 0 BFAARN CC[C@H](C)NC(=O)Nc1ccccc1OC ZINC000005468558 171331186 /nfs/dbraw/zinc/33/11/86/171331186.db2.gz PEHHDRFSEAJZTO-VIFPVBQESA-N 0 0 222.288 2.615 50 0 BFAARN CC[C@H](C)NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000013003352 171336694 /nfs/dbraw/zinc/33/66/94/171336694.db2.gz WGGPCXMDGOWDJU-QMMMGPOBSA-N 0 0 234.274 2.835 50 0 BFAARN CC[C@H](C)NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000006942923 171336705 /nfs/dbraw/zinc/33/67/05/171336705.db2.gz ZKVAMNYRMCPOHT-JTQLQIEISA-N 0 0 243.310 2.605 50 0 BFAARN CC[C@H](C)Nc1cccc(CN2CCOCC2)c1 ZINC000095991588 171350099 /nfs/dbraw/zinc/35/00/99/171350099.db2.gz UQHKNBPVSHORGG-ZDUSSCGKSA-N 0 0 248.370 2.729 50 0 BFAARN CC[C@H](C)S(=O)(=O)Nc1ccc(C)cc1 ZINC000024614049 171356722 /nfs/dbraw/zinc/35/67/22/171356722.db2.gz YXBWALPMRXLKAM-JTQLQIEISA-N 0 0 227.329 2.535 50 0 BFAARN CC[C@H](C)SCC(=O)N1CCC(C)CC1 ZINC000003223000 171357151 /nfs/dbraw/zinc/35/71/51/171357151.db2.gz IKCKLWDMZOLZQV-NSHDSACASA-N 0 0 229.389 2.777 50 0 BFAARN CC[C@H](C)[C@H](C)NC(=O)c1cc(C2CC2)on1 ZINC000084721587 171387968 /nfs/dbraw/zinc/38/79/68/171387968.db2.gz LRXYMLGLSWNQKI-IUCAKERBSA-N 0 0 236.315 2.716 50 0 BFAARN CC[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(=O)[O-] ZINC000191424915 171547306 /nfs/dbraw/zinc/54/73/06/171547306.db2.gz NBTYLQBRCHFRCX-UONOGXRCSA-N 0 0 247.338 2.981 50 0 BFAARN CC[C@H]1c2ccsc2CCN1C(=O)C1CC1 ZINC000040467704 171689036 /nfs/dbraw/zinc/68/90/36/171689036.db2.gz LWWGJDQTSHLWIN-NSHDSACASA-N 0 0 235.352 2.994 50 0 BFAARN CCc1cc(C(=O)NC2CC2)sc1C ZINC000012873249 171751729 /nfs/dbraw/zinc/75/17/29/171751729.db2.gz JUVIWBARNAZONG-UHFFFAOYSA-N 0 0 209.314 2.511 50 0 BFAARN CCc1ccc(C(=O)N2CCC[C@@H](C)C2)o1 ZINC000040510966 171784542 /nfs/dbraw/zinc/78/45/42/171784542.db2.gz DXIMDALYKMLDAX-SNVBAGLBSA-N 0 0 221.300 2.714 50 0 BFAARN CCc1cccc(OCCCn2ccnc2)c1 ZINC000006343525 171864710 /nfs/dbraw/zinc/86/47/10/171864710.db2.gz BYKIMFCYYYKRPG-UHFFFAOYSA-N 0 0 230.311 2.915 50 0 BFAARN CCc1nc([C@@H](C)NC(=O)C(C)C)cs1 ZINC000083830244 172000196 /nfs/dbraw/zinc/00/01/96/172000196.db2.gz XJMKLRHPPSSFAS-MRVPVSSYSA-N 0 0 226.345 2.539 50 0 BFAARN CCc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000005093173 172014765 /nfs/dbraw/zinc/01/47/65/172014765.db2.gz LAHVAYPJHBIIKN-SSDOTTSWSA-N 0 0 248.351 2.672 50 0 BFAARN CCc1nccn1CCc1ccc(OC)cc1 ZINC000088106567 172026232 /nfs/dbraw/zinc/02/62/32/172026232.db2.gz CTAGEDQAATWMDZ-UHFFFAOYSA-N 0 0 230.311 2.697 50 0 BFAARN CCc1nccn1Cc1cc(F)cc(F)c1 ZINC000097918808 172027353 /nfs/dbraw/zinc/02/73/53/172027353.db2.gz UMWBDFUEMJDQRS-UHFFFAOYSA-N 0 0 222.238 2.772 50 0 BFAARN CCc1ncnc(N[C@H](C)c2ccncc2)c1F ZINC000194963579 172033136 /nfs/dbraw/zinc/03/31/36/172033136.db2.gz RUUDLWOBQNXOHH-SECBINFHSA-N 0 0 246.289 2.746 50 0 BFAARN CCc1nnc(-c2cc3ccccc3n2C)o1 ZINC000007451895 172045403 /nfs/dbraw/zinc/04/54/03/172045403.db2.gz NFIYUQDESFDNBU-UHFFFAOYSA-N 0 0 227.267 2.791 50 0 BFAARN CCc1nnc(CSc2ccc(O)cc2)o1 ZINC000038078940 172055733 /nfs/dbraw/zinc/05/57/33/172055733.db2.gz CXJUKBXKCKDVSM-UHFFFAOYSA-N 0 0 236.296 2.630 50 0 BFAARN CCc1nnc(NCc2ccc(F)c(F)c2)o1 ZINC000296104826 172060799 /nfs/dbraw/zinc/06/07/99/172060799.db2.gz UQBSMOKSODCRHN-UHFFFAOYSA-N 0 0 239.225 2.522 50 0 BFAARN CCC1N=NC(=S)N1c1ccc(C)c(C)c1 ZINC000006395480 172062977 /nfs/dbraw/zinc/06/29/77/172062977.db2.gz JAWDQCDDDMVCDC-UHFFFAOYSA-N 0 0 233.340 2.735 50 0 BFAARN CCc1nnc2cc(C)c3ccc(OC)cc3n21 ZINC000000127917 172067982 /nfs/dbraw/zinc/06/79/82/172067982.db2.gz USUCVCYKXJVXOI-UHFFFAOYSA-N 0 0 241.294 2.762 50 0 in-vitro BFAARN CCc1noc(C)c1C(=O)NC1CCCCC1 ZINC000013329510 172073585 /nfs/dbraw/zinc/07/35/85/172073585.db2.gz XLUAWYATTVWDHT-UHFFFAOYSA-N 0 0 236.315 2.608 50 0 BFAARN CCc1noc(C)c1C(=O)N1CC=C[C@@H]1C(C)C ZINC000097823648 172073735 /nfs/dbraw/zinc/07/37/35/172073735.db2.gz MYHNZZJWKKOSSI-GFCCVEGCSA-N 0 0 248.326 2.582 50 0 BFAARN CCc1noc(C)c1-c1noc(-c2ccco2)n1 ZINC000225556865 172074474 /nfs/dbraw/zinc/07/44/74/172074474.db2.gz QBOIEERCJVCPOF-UHFFFAOYSA-N 0 0 245.238 2.855 50 0 BFAARN CCc1nsc(N2C[C@@H]3CC=CC[C@H]3C2)n1 ZINC000089295495 172104179 /nfs/dbraw/zinc/10/41/79/172104179.db2.gz LCFVFULALCUVCU-UWVGGRQHSA-N 0 0 235.356 2.503 50 0 BFAARN CCc1nsc(N2C[C@H]3CC=CC[C@@H]3C2)n1 ZINC000089295491 172105005 /nfs/dbraw/zinc/10/50/05/172105005.db2.gz LCFVFULALCUVCU-NXEZZACHSA-N 0 0 235.356 2.503 50 0 BFAARN CCn1c(C)nnc1CSc1ccc(C)cn1 ZINC000194693078 172140764 /nfs/dbraw/zinc/14/07/64/172140764.db2.gz DZPMFBXPVYPQJW-UHFFFAOYSA-N 0 0 248.355 2.602 50 0 BFAARN CCn1c(C)nnc1SCc1ccccc1 ZINC000000034367 172142641 /nfs/dbraw/zinc/14/26/41/172142641.db2.gz JIXLCERIEWBUDS-UHFFFAOYSA-N 0 0 233.340 2.899 50 0 BFAARN CCn1c2ccccc2nc1SC[C@@H](C)O ZINC000021523242 172147374 /nfs/dbraw/zinc/14/73/74/172147374.db2.gz YHKKFWUWDWWTRU-SECBINFHSA-N 0 0 236.340 2.529 50 0 BFAARN CCn1cc(C(=O)Nc2cc(C)ccc2C)cn1 ZINC000002763710 172157001 /nfs/dbraw/zinc/15/70/01/172157001.db2.gz AJYSMOBFQWZMMT-UHFFFAOYSA-N 0 0 243.310 2.772 50 0 BFAARN CCn1ccc(NC(=O)c2ccc(C)cc2C)n1 ZINC000064555787 172200782 /nfs/dbraw/zinc/20/07/82/172200782.db2.gz ACTDOBVWSVNWIU-UHFFFAOYSA-N 0 0 243.310 2.772 50 0 BFAARN CCn1ccc(NC(=O)CCC2CCCC2)n1 ZINC000028227441 172201268 /nfs/dbraw/zinc/20/12/68/172201268.db2.gz TYXUSUJUGBNKGW-UHFFFAOYSA-N 0 0 235.331 2.812 50 0 BFAARN CCn1nc(C)c(CNc2ncccc2C)c1C ZINC000195562781 172246855 /nfs/dbraw/zinc/24/68/55/172246855.db2.gz MVJVKAHFAMCCPQ-UHFFFAOYSA-N 0 0 244.342 2.835 50 0 BFAARN CN(C(=O)CSC(C)(C)C)c1ccccn1 ZINC000134521152 172312158 /nfs/dbraw/zinc/31/21/58/172312158.db2.gz CAYROHAORLOEPF-UHFFFAOYSA-N 0 0 238.356 2.576 50 0 BFAARN CN(C(=O)NCCc1ccccc1)C1CCCC1 ZINC000040554366 172321066 /nfs/dbraw/zinc/32/10/66/172321066.db2.gz JVZBXBQMTQATFM-UHFFFAOYSA-N 0 0 246.354 2.813 50 0 BFAARN CN(C(=O)Nc1ccccn1)C(C1CC1)C1CC1 ZINC000051191427 172324467 /nfs/dbraw/zinc/32/44/67/172324467.db2.gz QZGJHKIHNRHENB-UHFFFAOYSA-N 0 0 245.326 2.734 50 0 BFAARN CN(C(=O)c1ccc(N)cc1)C1CCCCC1 ZINC000000335307 172340355 /nfs/dbraw/zinc/34/03/55/172340355.db2.gz VBQURISEJZGIJF-UHFFFAOYSA-N 0 0 232.327 2.674 50 0 BFAARN CN(C(=O)c1cccnc1)C1CCCCCC1 ZINC000032857942 172343713 /nfs/dbraw/zinc/34/37/13/172343713.db2.gz JLPAMHKNLMNMCU-UHFFFAOYSA-N 0 0 232.327 2.876 50 0 BFAARN CN(C(=O)c1ccoc1)C1CCCCC1 ZINC000032841417 172345464 /nfs/dbraw/zinc/34/54/64/172345464.db2.gz WXCDQYFOLKWMSE-UHFFFAOYSA-N 0 0 207.273 2.684 50 0 BFAARN CN(C(=O)c1cnccn1)C1CCCCCCC1 ZINC000083855658 172346509 /nfs/dbraw/zinc/34/65/09/172346509.db2.gz GLXJQGOCTMDROM-UHFFFAOYSA-N 0 0 247.342 2.662 50 0 BFAARN CN(C)/C=C1\c2ccccc2N=C1Cl ZINC000019889454 172351046 /nfs/dbraw/zinc/35/10/46/172351046.db2.gz DGGKNBVTGBSNBL-VQHVLOKHSA-N 0 0 206.676 2.872 50 0 BFAARN CN(C)C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC000241132993 172355646 /nfs/dbraw/zinc/35/56/46/172355646.db2.gz JNVSQORYNVEAOU-UHFFFAOYSA-N 0 0 247.338 2.764 50 0 BFAARN CN(C)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000089310402 172374572 /nfs/dbraw/zinc/37/45/72/172374572.db2.gz NMNCCAMQKYCFCB-LBPRGKRZSA-N 0 0 217.312 2.585 50 0 BFAARN CN(C)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000034458120 172375608 /nfs/dbraw/zinc/37/56/08/172375608.db2.gz CBTPTIPONPPUTA-UHFFFAOYSA-N 0 0 239.318 2.984 50 0 BFAARN CN(C)C(=S)Nc1ccc(Cl)cc1 ZINC000005599619 172393366 /nfs/dbraw/zinc/39/33/66/172393366.db2.gz FWGDAHLBEXSAPT-UHFFFAOYSA-N 0 0 214.721 2.598 50 0 BFAARN CN(C)C(=O)c1cccnc1Oc1ccccc1 ZINC000020031159 172391601 /nfs/dbraw/zinc/39/16/01/172391601.db2.gz BEYVITIJNXTPLF-UHFFFAOYSA-N 0 0 242.278 2.576 50 0 BFAARN CN(C)C(=O)c1cnc(-c2ccccc2)s1 ZINC000040535429 172392336 /nfs/dbraw/zinc/39/23/36/172392336.db2.gz XQWFAHFEBMVLFW-UHFFFAOYSA-N 0 0 232.308 2.512 50 0 BFAARN CN(C)C(=S)Oc1cccc(C(F)(F)F)c1 ZINC000071774156 172393703 /nfs/dbraw/zinc/39/37/03/172393703.db2.gz HFUQRRWCWICZFP-UHFFFAOYSA-N 0 0 249.257 2.931 50 0 BFAARN C[N@@H+]1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000065384786 173128227 /nfs/dbraw/zinc/12/82/27/173128227.db2.gz VGGXXEAYHHSUTP-JKSUJKDBSA-N 0 0 241.334 2.620 50 0 BFAARN CNC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000032999444 173223009 /nfs/dbraw/zinc/22/30/09/173223009.db2.gz DGEKFEVJWIKUMC-UHFFFAOYSA-N 0 0 223.703 2.508 50 0 BFAARN CNC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000010335538 173262961 /nfs/dbraw/zinc/26/29/61/173262961.db2.gz YRUNCMZFEODCBM-UHFFFAOYSA-N 0 0 219.328 2.663 50 0 BFAARN CNC(=O)CCc1cccc(Cl)c1Cl ZINC000058228034 173263466 /nfs/dbraw/zinc/26/34/66/173263466.db2.gz QNZLJEGWFDTMBA-UHFFFAOYSA-N 0 0 232.110 2.672 50 0 BFAARN CNC(=O)CSCc1cccc2ccccc21 ZINC000012553529 173279969 /nfs/dbraw/zinc/27/99/69/173279969.db2.gz MWPNPYOJIRIKIT-UHFFFAOYSA-N 0 0 245.347 2.819 50 0 BFAARN CNC(=O)Cc1c(Cl)sc2ccccc21 ZINC000000172237 173283731 /nfs/dbraw/zinc/28/37/31/173283731.db2.gz PUQFPGPJTYTWPN-UHFFFAOYSA-N 0 0 239.727 2.843 50 0 BFAARN CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000000282033 173296082 /nfs/dbraw/zinc/29/60/82/173296082.db2.gz MWEKYCICKUBFGX-ZCFIWIBFSA-N 0 0 248.109 2.507 50 0 BFAARN CNC(=O)[C@@H](C)SCc1cccc(Cl)c1 ZINC000059830828 173296173 /nfs/dbraw/zinc/29/61/73/173296173.db2.gz MRBVHURACBWVOH-MRVPVSSYSA-N 0 0 243.759 2.708 50 0 BFAARN CNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C ZINC000089801749 173297190 /nfs/dbraw/zinc/29/71/90/173297190.db2.gz RTFCYBHQWWAZNG-LLVKDONJSA-N 0 0 225.719 2.826 50 0 BFAARN CNC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000010052707 173308360 /nfs/dbraw/zinc/30/83/60/173308360.db2.gz LDWSHYSQMNWOKX-UWVGGRQHSA-N 0 0 243.228 2.555 50 0 BFAARN CNC(=O)c1c(C)c(-c2ccccc2)n(C)c1C ZINC000064551462 173309272 /nfs/dbraw/zinc/30/92/72/173309272.db2.gz WUTKJNXFIDNUOR-UHFFFAOYSA-N 0 0 242.322 2.669 50 0 BFAARN CNC(=O)c1cc(Cl)ccc1NCC1CC1 ZINC000127713922 173309577 /nfs/dbraw/zinc/30/95/77/173309577.db2.gz KGEBHEBTZGGFRX-UHFFFAOYSA-N 0 0 238.718 2.522 50 0 BFAARN CNC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000005525931 173310077 /nfs/dbraw/zinc/31/00/77/173310077.db2.gz IMVQWYQQLABIKT-UHFFFAOYSA-N 0 0 235.283 2.914 50 0 BFAARN CNC(=O)c1ccc(C)c(Oc2ccncc2)c1 ZINC000089651125 173310287 /nfs/dbraw/zinc/31/02/87/173310287.db2.gz MBVJSTNSOXALRL-UHFFFAOYSA-N 0 0 242.278 2.542 50 0 BFAARN CNC(=O)c1ccc(C2SCCS2)cc1 ZINC000009376628 173310583 /nfs/dbraw/zinc/31/05/83/173310583.db2.gz XPZYOWGATXLVJM-UHFFFAOYSA-N 0 0 239.365 2.525 50 0 BFAARN CNC(=O)c1ccc(SC(C)C)cc1 ZINC000048190731 173311345 /nfs/dbraw/zinc/31/13/45/173311345.db2.gz ZTEJDUQPFNCEGB-UHFFFAOYSA-N 0 0 209.314 2.547 50 0 BFAARN CNC(=O)c1ccccc1OCc1ccccc1 ZINC000005171866 173312247 /nfs/dbraw/zinc/31/22/47/173312247.db2.gz OWMCWNPCEDAGPX-UHFFFAOYSA-N 0 0 241.290 2.625 50 0 BFAARN CNC(=O)c1cnc(/C=C/c2ccccc2)s1 ZINC000065594428 173312980 /nfs/dbraw/zinc/31/29/80/173312980.db2.gz MMBWEOWRAYJIHO-BQYQJAHWSA-N 0 0 244.319 2.673 50 0 BFAARN CNC(=O)c1sc2ccccc2c1C ZINC000032841519 173314579 /nfs/dbraw/zinc/31/45/79/173314579.db2.gz QOAFEDPECMHGRN-UHFFFAOYSA-N 0 0 205.282 2.569 50 0 BFAARN CNc1ccc(Oc2ccccn2)cc1 ZINC000038057281 173480439 /nfs/dbraw/zinc/48/04/39/173480439.db2.gz AUHHWJBGADUWTH-UHFFFAOYSA-N 0 0 200.241 2.916 50 0 BFAARN CNc1nc(C)nc2c3ccccc3oc21 ZINC000005216959 173486449 /nfs/dbraw/zinc/48/64/49/173486449.db2.gz DOINOWLTQVLIGN-UHFFFAOYSA-N 0 0 213.240 2.726 50 0 BFAARN COC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000000967845 173693543 /nfs/dbraw/zinc/69/35/43/173693543.db2.gz XPUKIATWMAOOFP-SNVBAGLBSA-N 0 0 230.263 2.780 50 0 in-vitro BFAARN COC(=O)c1c(C)[nH]c(C=O)c1-c1ccccc1 ZINC000000492632 173841049 /nfs/dbraw/zinc/84/10/49/173841049.db2.gz XQJKSWQBYJGCDN-UHFFFAOYSA-N 0 0 243.262 2.589 50 0 BFAARN COC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000035122043 173847779 /nfs/dbraw/zinc/84/77/79/173847779.db2.gz CKYXRVBZEALSPS-UHFFFAOYSA-N 0 0 236.658 2.517 50 0 BFAARN COC(=O)c1coc(-c2ccc(Cl)cc2)n1 ZINC000000374297 173911307 /nfs/dbraw/zinc/91/13/07/173911307.db2.gz VDIXVMIKLAYGRR-UHFFFAOYSA-N 0 0 237.642 2.782 50 0 BFAARN COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1 ZINC000001703459 174013152 /nfs/dbraw/zinc/01/31/52/174013152.db2.gz XEAQIWGXBXCYFX-GUOLPTJISA-N 0 0 230.263 2.546 50 0 aggregator,biogenic,in-man BFAARN COCC(=O)N(CC(C)(C)C)CC(C)(C)C ZINC000095984558 174038742 /nfs/dbraw/zinc/03/87/42/174038742.db2.gz WSMJBKSANLKGQB-UHFFFAOYSA-N 0 0 229.364 2.554 50 0 BFAARN COCC(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000097047105 174053824 /nfs/dbraw/zinc/05/38/24/174053824.db2.gz QLYOAUMGPWRKJG-AWEZNQCLSA-N 0 0 247.338 2.681 50 0 BFAARN COCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000458420 174057748 /nfs/dbraw/zinc/05/77/48/174057748.db2.gz GNIKEYUFTBGHCC-UHFFFAOYSA-N 0 0 234.082 2.578 50 0 BFAARN COCC(=O)Nc1ccc(Cl)cc1Cl ZINC000000458061 174058216 /nfs/dbraw/zinc/05/82/16/174058216.db2.gz BLEJYSCPMNRNJK-UHFFFAOYSA-N 0 0 234.082 2.578 50 0 BFAARN COCCCCCn1nccc1-c1ccncc1 ZINC000096428891 174187790 /nfs/dbraw/zinc/18/77/90/174187790.db2.gz UIRGPUDYXGGRJB-UHFFFAOYSA-N 0 0 245.326 2.762 50 0 BFAARN COCO[C@@H]1CC(C)(C)C=C1Br ZINC000043198810 174432563 /nfs/dbraw/zinc/43/25/63/174432563.db2.gz ITIUHRWFUPQORO-MRVPVSSYSA-N 0 0 235.121 2.684 50 0 BFAARN COCc1cccc(NCc2ccccn2)c1 ZINC000036918097 174632888 /nfs/dbraw/zinc/63/28/88/174632888.db2.gz YSFZKKCDSOTZDS-UHFFFAOYSA-N 0 0 228.295 2.840 50 0 BFAARN COc1c2ccccc2oc1C(=O)NC(C)C ZINC000252480936 174918286 /nfs/dbraw/zinc/91/82/86/174918286.db2.gz CGLIBAXULSGVKW-UHFFFAOYSA-N 0 0 233.267 2.580 50 0 BFAARN COc1c(C)cnc(CSc2ncc[nH]2)c1C ZINC000079005042 174927487 /nfs/dbraw/zinc/92/74/87/174927487.db2.gz PWCXBZWWHZEXGQ-UHFFFAOYSA-N 0 0 249.339 2.722 50 0 BFAARN COc1cc(N)c(Br)cc1Cl ZINC000034363586 174995355 /nfs/dbraw/zinc/99/53/55/174995355.db2.gz DAFZNHUYTYCENX-UHFFFAOYSA-N 0 0 236.496 2.693 50 0 BFAARN COc1cc2[nH]ccc2cc1Br ZINC000145670843 175018432 /nfs/dbraw/zinc/01/84/32/175018432.db2.gz NWHWSVLYUXYJFU-UHFFFAOYSA-N 0 0 226.073 2.939 50 0 BFAARN COc1cc2c(cc1OC)CC1(CCCC1)N=C2 ZINC000000322075 175024667 /nfs/dbraw/zinc/02/46/67/175024667.db2.gz HKUAIVBFYAEDRF-UHFFFAOYSA-N 0 0 245.322 2.992 50 0 biogenic BFAARN COc1cc2ccnc(C)c2cc1OC ZINC000001705987 175027768 /nfs/dbraw/zinc/02/77/68/175027768.db2.gz VBMZFACBWDZUSM-UHFFFAOYSA-N 0 0 203.241 2.560 50 0 endogenous,in-man BFAARN COc1ccc(-c2cc(N)ccc2OC)cc1 ZINC000003888766 175031359 /nfs/dbraw/zinc/03/13/59/175031359.db2.gz IGCUWZMQUHTDDN-UHFFFAOYSA-N 0 0 229.279 2.953 50 0 BFAARN COc1ccc(-c2cc(N)n[nH]2)c2ccccc12 ZINC000004234687 175031885 /nfs/dbraw/zinc/03/18/85/175031885.db2.gz GZRWNLFQKJANRB-UHFFFAOYSA-N 0 0 239.278 2.821 50 0 BFAARN COc1ccc(-c2cc3c(cc[nH]c3=O)o2)cc1 ZINC000019928736 175032545 /nfs/dbraw/zinc/03/25/45/175032545.db2.gz RDSZKYPCWRFBCB-UHFFFAOYSA-N 0 0 241.246 2.797 50 0 BFAARN COc1ccc(-c2ccc(C=O)cn2)cc1OC ZINC000002527597 175033048 /nfs/dbraw/zinc/03/30/48/175033048.db2.gz JRWHCFWWJIMXRU-UHFFFAOYSA-N 0 0 243.262 2.578 50 0 BFAARN COc1ccc(-c2cccc(N)c2)c(OC)c1 ZINC000002528999 175035352 /nfs/dbraw/zinc/03/53/52/175035352.db2.gz XLSYCLUSWLUGGZ-UHFFFAOYSA-N 0 0 229.279 2.953 50 0 BFAARN COc1ccc(-c2cn3c(n2)CCC3)cc1 ZINC000000493005 175036120 /nfs/dbraw/zinc/03/61/20/175036120.db2.gz WOYRQBRHXBCHHZ-UHFFFAOYSA-N 0 0 214.268 2.505 50 0 BFAARN COc1ccc(-c2cnc(N)cc2C)cc1OC ZINC000082730119 175036787 /nfs/dbraw/zinc/03/67/87/175036787.db2.gz DRZWTUSHNMPLGH-UHFFFAOYSA-N 0 0 244.294 2.656 50 0 BFAARN COc1ccc(-c2nc3ccccc3[nH]2)cc1N ZINC000005611741 175040674 /nfs/dbraw/zinc/04/06/74/175040674.db2.gz LOAAJBOHHXFWPZ-UHFFFAOYSA-N 0 0 239.278 2.821 50 0 BFAARN COc1ccc(-c2nnc(C)s2)cc1 ZINC000004691144 175041784 /nfs/dbraw/zinc/04/17/84/175041784.db2.gz NOYFIDPBKRQWBU-UHFFFAOYSA-N 0 0 206.270 2.522 50 0 BFAARN COc1ccc(-n2cccc2-c2ncc[nH]2)cc1 ZINC000067789121 175043727 /nfs/dbraw/zinc/04/37/27/175043727.db2.gz XOGVEZSNMKJXPK-UHFFFAOYSA-N 0 0 239.278 2.876 50 0 BFAARN COc1ccc(/C=C/[N+](=O)[O-])cc1Cl ZINC000083188590 175048097 /nfs/dbraw/zinc/04/80/97/175048097.db2.gz XAEBQJANFSJNOD-SNAWJCMRSA-N 0 0 213.620 2.596 50 0 BFAARN COc1ccc(Br)c2c1C(=O)CC2 ZINC000001712637 175051205 /nfs/dbraw/zinc/05/12/05/175051205.db2.gz OJDMKCLDADYDRL-UHFFFAOYSA-N 0 0 241.084 2.587 50 0 BFAARN COc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000005515809 175056240 /nfs/dbraw/zinc/05/62/40/175056240.db2.gz SGLSSNVBXPORFL-LLVKDONJSA-N 0 0 233.311 2.710 50 0 BFAARN COc1ccc(C(=O)NCc2ccco2)cc1C ZINC000013945947 175061461 /nfs/dbraw/zinc/06/14/61/175061461.db2.gz URTOGSWGQQJCIJ-UHFFFAOYSA-N 0 0 245.278 2.527 50 0 BFAARN COc1ccc(C(=O)Nc2ccc(O)cc2)cc1 ZINC000000408583 175063510 /nfs/dbraw/zinc/06/35/10/175063510.db2.gz FIPXHELNPLCOPK-UHFFFAOYSA-N 0 0 243.262 2.653 50 0 BFAARN COc1ccc(C(=O)Nc2ccccc2O)cc1 ZINC000000406779 175063923 /nfs/dbraw/zinc/06/39/23/175063923.db2.gz STBOLXGFDRQSBN-UHFFFAOYSA-N 0 0 243.262 2.653 50 0 BFAARN COc1ccc(C(=O)Nc2ncc(C)s2)cc1 ZINC000003555833 175064748 /nfs/dbraw/zinc/06/47/48/175064748.db2.gz ZWZCQSADIHXJTI-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 BFAARN COc1ccc(C(=O)c2cc(C)ccn2)cc1 ZINC000045028590 175066002 /nfs/dbraw/zinc/06/60/02/175066002.db2.gz ZASQAIOQGSWNTP-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1ccc(C(=O)c2ccc(Cl)nc2)cc1 ZINC000045038682 175066067 /nfs/dbraw/zinc/06/60/67/175066067.db2.gz BQYQMYYGQDVIKS-UHFFFAOYSA-N 0 0 247.681 2.975 50 0 BFAARN COc1ccc(C(=S)N2CCCC2)cc1C ZINC000000306470 175067168 /nfs/dbraw/zinc/06/71/68/175067168.db2.gz SXDQMXBGLUHBMN-UHFFFAOYSA-N 0 0 235.352 2.775 50 0 BFAARN COc1ccc(C)cc1Br ZINC000000403240 175072832 /nfs/dbraw/zinc/07/28/32/175072832.db2.gz DHPUIKWBNXTXOB-UHFFFAOYSA-N 0 0 201.063 2.766 50 0 BFAARN COc1ccc(C)cc1Cn1cc(C)cn1 ZINC000098013749 175076976 /nfs/dbraw/zinc/07/69/76/175076976.db2.gz GMWAISGQUCLQNN-UHFFFAOYSA-N 0 0 216.284 2.557 50 0 BFAARN COc1ccc(C)cc1Cn1ccc(C)cc1=O ZINC000069770255 175077060 /nfs/dbraw/zinc/07/70/60/175077060.db2.gz IOBWPKWDMNXSPQ-UHFFFAOYSA-N 0 0 243.306 2.522 50 0 BFAARN COc1ccc(C)cc1[C@H](C)NC(=O)NC1CC1 ZINC000022095943 175080855 /nfs/dbraw/zinc/08/08/55/175080855.db2.gz CTHMFICNENYNLD-JTQLQIEISA-N 0 0 248.326 2.526 50 0 BFAARN COc1ccc(C)cc1[C@H](C)NC(=O)C(C)C ZINC000012847221 175081182 /nfs/dbraw/zinc/08/11/82/175081182.db2.gz SOCLSIAMGUPGKZ-NSHDSACASA-N 0 0 235.327 2.837 50 0 BFAARN COc1ccc(CCC(=O)NCCC(C)C)cc1 ZINC000002754065 175088685 /nfs/dbraw/zinc/08/86/85/175088685.db2.gz ZPPIOBMQGSYRJY-UHFFFAOYSA-N 0 0 249.354 2.790 50 0 BFAARN COc1ccc(CCCn2ccnc2)c(OC)c1 ZINC000091492979 175090031 /nfs/dbraw/zinc/09/00/31/175090031.db2.gz OALDOAFXKTYNFN-UHFFFAOYSA-N 0 0 246.310 2.533 50 0 BFAARN COc1ccc(CCNc2ccccn2)cc1 ZINC000020016290 175092944 /nfs/dbraw/zinc/09/29/44/175092944.db2.gz DBPITLNFQYDSIF-UHFFFAOYSA-N 0 0 228.295 2.745 50 0 BFAARN COc1ccc(CSc2ncc[nH]2)cc1F ZINC000078931968 175114872 /nfs/dbraw/zinc/11/48/72/175114872.db2.gz ITEZSJSEEYWCKZ-UHFFFAOYSA-N 0 0 238.287 2.850 50 0 BFAARN COc1ccc(F)c(-c2nccs2)c1 ZINC000065527180 175124152 /nfs/dbraw/zinc/12/41/52/175124152.db2.gz XCPXMRGWCCZDSQ-UHFFFAOYSA-N 0 0 209.245 2.958 50 0 BFAARN COc1ccc(N)c(NC(=O)OC(C)(C)C)c1 ZINC000066354586 175137384 /nfs/dbraw/zinc/13/73/84/175137384.db2.gz ATQQUUXZLWAIMY-UHFFFAOYSA-N 0 0 238.287 2.624 50 0 BFAARN COc1ccc(N)cc1OC1CCCC1 ZINC000000161565 175138789 /nfs/dbraw/zinc/13/87/89/175138789.db2.gz RRZIWWXZGHOMDM-UHFFFAOYSA-N 0 0 207.273 2.599 50 0 BFAARN COc1ccc(NC(=S)NCC(C)C)cc1 ZINC000000452307 175148589 /nfs/dbraw/zinc/14/85/89/175148589.db2.gz ISPQOBDBIJEZFX-UHFFFAOYSA-N 0 0 238.356 2.638 50 0 BFAARN COc1ccc(N[C@@H](C)c2nc(C)no2)cc1 ZINC000069873794 175153985 /nfs/dbraw/zinc/15/39/85/175153985.db2.gz OXAFTKXJDNSBDD-QMMMGPOBSA-N 0 0 233.271 2.560 50 0 BFAARN COc1ccc(N[C@H]2CCSC2)cc1 ZINC000019964704 175155311 /nfs/dbraw/zinc/15/53/11/175155311.db2.gz OFHXGSLBJLPLFQ-JTQLQIEISA-N 0 0 209.314 2.613 50 0 BFAARN COc1ccc(OC(F)(F)F)cc1[C@H](C)O ZINC000015442991 175162983 /nfs/dbraw/zinc/16/29/83/175162983.db2.gz DKUPMKWSJITPFC-LURJTMIESA-N 0 0 236.189 2.647 50 0 BFAARN COc1ccc(OC(=O)C2CCCC2)cc1 ZINC000000384166 175163143 /nfs/dbraw/zinc/16/31/43/175163143.db2.gz ORMAVLLFHICVKM-UHFFFAOYSA-N 0 0 220.268 2.791 50 0 BFAARN COc1ccc(OC)c(NC(=O)c2ccco2)c1 ZINC000000102749 175167050 /nfs/dbraw/zinc/16/70/50/175167050.db2.gz WFNCQGZJZCWODG-UHFFFAOYSA-N 0 0 247.250 2.549 50 0 BFAARN COc1ccc(S[C@@H](C)C(C)=O)cc1 ZINC000034980884 175175126 /nfs/dbraw/zinc/17/51/26/175175126.db2.gz AHVQLHLCUTVWLW-VIFPVBQESA-N 0 0 210.298 2.765 50 0 BFAARN COc1ccc2c(C)c(C(C)=O)oc2c1OC ZINC000064220079 175203771 /nfs/dbraw/zinc/20/37/71/175203771.db2.gz OWJSEHWMORRCGO-UHFFFAOYSA-N 0 0 234.251 2.961 50 0 BFAARN COc1ccc2c(c1)CCC[C@@H]2NC(=O)C(C)C ZINC000072442083 175207882 /nfs/dbraw/zinc/20/78/82/175207882.db2.gz BEWCVWAZFVTUKD-AWEZNQCLSA-N 0 0 247.338 2.845 50 0 BFAARN COc1ccc2c(c1)OCc1c[nH]c(=S)nc1-2 ZINC000040450024 175213554 /nfs/dbraw/zinc/21/35/54/175213554.db2.gz MCUNWMMIXCXPFA-UHFFFAOYSA-N 0 0 246.291 2.707 50 0 BFAARN COc1ccc2c(c1)nc1c(C)n(C)ccc2-1 ZINC000000394490 175223996 /nfs/dbraw/zinc/22/39/96/175223996.db2.gz SNPOLGTUMADPOR-UHFFFAOYSA-N 0 0 226.279 2.995 50 0 in-vitro BFAARN COc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000004027915 175224099 /nfs/dbraw/zinc/22/40/99/175224099.db2.gz YGXDFJQPDFEATJ-UHFFFAOYSA-N 0 0 230.263 2.599 50 0 biogenic BFAARN COc1ccc2nc(Cl)c(C=O)cc2c1 ZINC000000058230 175228923 /nfs/dbraw/zinc/22/89/23/175228923.db2.gz TZQOMBXDCIPJKW-UHFFFAOYSA-N 0 0 221.643 2.709 50 0 BFAARN COc1cccc(-c2noc(C(C)(C)OC)n2)c1 ZINC000170089579 175238299 /nfs/dbraw/zinc/23/82/99/175238299.db2.gz LJRRMNURTJVEPY-UHFFFAOYSA-N 0 0 248.282 2.627 50 0 BFAARN COc1cccc(/C=C/C(=O)NC2CCCC2)c1 ZINC000006258995 175240598 /nfs/dbraw/zinc/24/05/98/175240598.db2.gz GQYOGUDIRPOUBM-MDZDMXLPSA-N 0 0 245.322 2.767 50 0 BFAARN COc1cccc(C(=O)N2CCCCCC2)c1 ZINC000000030023 175243382 /nfs/dbraw/zinc/24/33/82/175243382.db2.gz DRWQBLSKGAPVDG-UHFFFAOYSA-N 0 0 233.311 2.711 50 0 BFAARN COc1cccc(C(=O)N2CCC(C)CC2)c1 ZINC000001480348 175243508 /nfs/dbraw/zinc/24/35/08/175243508.db2.gz MQQFKYBZPLLBQP-UHFFFAOYSA-N 0 0 233.311 2.567 50 0 BFAARN COc1cccc(C(=O)Nc2nc(C)cs2)c1 ZINC000003562014 175246015 /nfs/dbraw/zinc/24/60/15/175246015.db2.gz PAGPVSQZNPBQLP-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 in-vivo BFAARN COc1cccc(C(=O)OCc2cncs2)c1 ZINC000001403730 175246433 /nfs/dbraw/zinc/24/64/33/175246433.db2.gz XBUYYWZPQDZGQZ-UHFFFAOYSA-N 0 0 249.291 2.509 50 0 BFAARN COc1cccc(C(O)c2cccc(OC)c2)c1 ZINC000037532133 175246884 /nfs/dbraw/zinc/24/68/84/175246884.db2.gz JKFZTBFWANEMEI-UHFFFAOYSA-N 0 0 244.290 2.786 50 0 BFAARN COc1cccc(C=O)c1C(F)(F)F ZINC000091252082 175249105 /nfs/dbraw/zinc/24/91/05/175249105.db2.gz HSPNVFXNJYKWSK-UHFFFAOYSA-N 0 0 204.147 2.527 50 0 BFAARN COc1cccc(Cl)c1-c1ncc(C)c(N)n1 ZINC000065470497 175272965 /nfs/dbraw/zinc/27/29/65/175272965.db2.gz IEQMZVUDPLBXAA-UHFFFAOYSA-N 0 0 249.701 2.696 50 0 BFAARN COc1cccc(F)c1-c1ccccc1C(N)=O ZINC000032578133 175273737 /nfs/dbraw/zinc/27/37/37/175273737.db2.gz IPRQVLCYDKIIAQ-UHFFFAOYSA-N 0 0 245.253 2.600 50 0 BFAARN COc1cccc(F)c1C(=O)C(F)(F)F ZINC000040571946 175274037 /nfs/dbraw/zinc/27/40/37/175274037.db2.gz NAOAQKZCJCAVPM-UHFFFAOYSA-N 0 0 222.137 2.579 50 0 BFAARN COc1cccc(NC(=O)c2c(C)noc2C)c1 ZINC000003533486 175278609 /nfs/dbraw/zinc/27/86/09/175278609.db2.gz ZICOHUOZAYBIJA-UHFFFAOYSA-N 0 0 246.266 2.552 50 0 BFAARN COc1cccc([C@H](C)Nc2cnn(C)c2)c1 ZINC000035737751 175294072 /nfs/dbraw/zinc/29/40/72/175294072.db2.gz MAZGIAIJMSZOKN-JTQLQIEISA-N 0 0 231.299 2.602 50 0 BFAARN COc1cccc2c(C(F)(F)F)cc(=O)[nH]c12 ZINC000075895445 175298014 /nfs/dbraw/zinc/29/80/14/175298014.db2.gz KDFGBTUNMHUFHW-UHFFFAOYSA-N 0 0 243.184 2.556 50 0 BFAARN COc1cccc2cc(-c3cc[nH]n3)oc21 ZINC000001390353 175306921 /nfs/dbraw/zinc/30/69/21/175306921.db2.gz GNSVREAYZWSBTH-UHFFFAOYSA-N 0 0 214.224 2.832 50 0 BFAARN COc1ccccc1-c1ccc(C=O)o1 ZINC000004313150 175308824 /nfs/dbraw/zinc/30/88/24/175308824.db2.gz UQEVFNBSWIQVLF-UHFFFAOYSA-N 0 0 202.209 2.768 50 0 BFAARN COc1ccccc1-c1nnc(Cl)s1 ZINC000071050341 175312096 /nfs/dbraw/zinc/31/20/96/175312096.db2.gz WESPQORMVPPXGH-UHFFFAOYSA-N 0 0 226.688 2.867 50 0 BFAARN COc1ccccc1C(=O)Nc1cc(C)ns1 ZINC000038680668 175318845 /nfs/dbraw/zinc/31/88/45/175318845.db2.gz IUAQMGZBKOUKJM-UHFFFAOYSA-N 0 0 248.307 2.712 50 0 BFAARN COc1ccccc1C(=O)N[C@H](C)CC(C)C ZINC000000364085 175319119 /nfs/dbraw/zinc/31/91/19/175319119.db2.gz YNURKCXEQAQIRE-LLVKDONJSA-N 0 0 235.327 2.860 50 0 BFAARN COc1ccccc1C(=O)n1nc(C)c(C)c1C ZINC000010155613 175319680 /nfs/dbraw/zinc/31/96/80/175319680.db2.gz IXGUWGHIHXHBTD-UHFFFAOYSA-N 0 0 244.294 2.505 50 0 BFAARN COc1ccccc1C(=O)c1ncccc1C ZINC000045028653 175320196 /nfs/dbraw/zinc/32/01/96/175320196.db2.gz OLVCZFSZYUCEQT-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1ccccc1CNc1ccc(Cl)nn1 ZINC000020002186 175331014 /nfs/dbraw/zinc/33/10/14/175331014.db2.gz RVIUMZCAIKFACE-UHFFFAOYSA-N 0 0 249.701 2.751 50 0 BFAARN COc1ccccc1NC1=NCCCS1 ZINC000003227305 175336581 /nfs/dbraw/zinc/33/65/81/175336581.db2.gz MCNOURIAPOKCRE-UHFFFAOYSA-N 0 0 222.313 2.600 50 0 BFAARN COc1ccccc1NC1=NC(C)(C)CS1 ZINC000003246181 175336906 /nfs/dbraw/zinc/33/69/06/175336906.db2.gz CPOBBOSOPLSMTE-UHFFFAOYSA-N 0 0 236.340 2.989 50 0 BFAARN COc1ccccc1OCc1ccccc1N ZINC000019275542 175341388 /nfs/dbraw/zinc/34/13/88/175341388.db2.gz QUITYLJZRSSRFR-UHFFFAOYSA-N 0 0 229.279 2.856 50 0 BFAARN COc1ccccc1S[C@H](C)C(C)=O ZINC000041031051 175343949 /nfs/dbraw/zinc/34/39/49/175343949.db2.gz GRRIALSICPVTAF-SECBINFHSA-N 0 0 210.298 2.765 50 0 BFAARN COc1ccccc1[C@H](C)NC(=O)c1ccco1 ZINC000009218751 175350770 /nfs/dbraw/zinc/35/07/70/175350770.db2.gz FZUSZVOFQIZJFW-JTQLQIEISA-N 0 0 245.278 2.779 50 0 BFAARN COc1ccccc1[C@H](C)NC(=O)[C@@H]1C[C@@H]1C ZINC000023530446 175350865 /nfs/dbraw/zinc/35/08/65/175350865.db2.gz TXWFSBOJKQKTNF-JBLDHEPKSA-N 0 0 233.311 2.528 50 0 BFAARN COc1ccnc(NC(=O)Oc2ccccc2)c1 ZINC000263624399 175363385 /nfs/dbraw/zinc/36/33/85/175363385.db2.gz QDGHMBIGVMKDJN-UHFFFAOYSA-N 0 0 244.250 2.701 50 0 BFAARN COc1ccnc(NCCC2=CCCCC2)n1 ZINC000095962246 175364930 /nfs/dbraw/zinc/36/49/30/175364930.db2.gz OZQZMDFCJBPWIY-UHFFFAOYSA-N 0 0 233.315 2.788 50 0 BFAARN COc1cnc(-c2ccccc2)nc1Cl ZINC000005918995 175380754 /nfs/dbraw/zinc/38/07/54/175380754.db2.gz UFVSWOWNNFETRC-UHFFFAOYSA-N 0 0 220.659 2.806 50 0 BFAARN COc1cnc(SC/C=C(\C)Cl)nc1 ZINC000004566574 175381668 /nfs/dbraw/zinc/38/16/68/175381668.db2.gz UWOHDFCAYMFUFZ-XVNBXDOJSA-N 0 0 230.720 2.720 50 0 BFAARN COc1cncc(CN(C)c2ccccc2F)c1 ZINC000241401101 175383813 /nfs/dbraw/zinc/38/38/13/175383813.db2.gz NBEGCFNIWDWPBU-UHFFFAOYSA-N 0 0 246.285 2.866 50 0 BFAARN CS[C@@H](C)C(=O)N[C@H](C)c1cccs1 ZINC000040523442 175537352 /nfs/dbraw/zinc/53/73/52/175537352.db2.gz IBDASKUUINCBKB-SFYZADRCSA-N 0 0 229.370 2.677 50 0 BFAARN CSc1nc(Cl)ncc1Br ZINC000016123679 175588239 /nfs/dbraw/zinc/58/82/39/175588239.db2.gz GSIMJSNRAAYBOG-UHFFFAOYSA-N 0 0 239.525 2.614 50 0 BFAARN CSc1nc(C)cc(Nc2ccc(O)cc2)n1 ZINC000011907781 175588305 /nfs/dbraw/zinc/58/83/05/175588305.db2.gz LDTHYKMQASHVFH-UHFFFAOYSA-N 0 0 247.323 2.956 50 0 BFAARN C[C@@H](NC(=O)NCC1CC1)c1ccc(F)cc1 ZINC000012986631 175838300 /nfs/dbraw/zinc/83/83/00/175838300.db2.gz INFBLPLZFPJHBE-SECBINFHSA-N 0 0 236.290 2.596 50 0 BFAARN C[C@@H](O)c1ncc(Cl)cc1Br ZINC000091692956 176001674 /nfs/dbraw/zinc/00/16/74/176001674.db2.gz AUVBGIYQOJAROI-SCSAIBSYSA-N 0 0 236.496 2.551 50 0 BFAARN C[C@@H](OC[C@@H]1CO1)c1ccc(Cl)cc1 ZINC000003389630 176003423 /nfs/dbraw/zinc/00/34/23/176003423.db2.gz JGGQRANUJHVHLH-LDYMZIIASA-N 0 0 212.676 2.816 50 0 BFAARN C[C@@H](Oc1cccnc1N)c1ccccc1 ZINC000039279579 176006397 /nfs/dbraw/zinc/00/63/97/176006397.db2.gz PPDXZQYCEONNNJ-SNVBAGLBSA-N 0 0 214.268 2.804 50 0 BFAARN C[C@@H](SCc1cccc2ccccc21)C(N)=O ZINC000048674962 176008665 /nfs/dbraw/zinc/00/86/65/176008665.db2.gz ZEYSUOGPWAZIQP-SNVBAGLBSA-N 0 0 245.347 2.947 50 0 BFAARN C[C@@H](Sc1ccc2ccccc2c1)C(N)=O ZINC000003382519 176009366 /nfs/dbraw/zinc/00/93/66/176009366.db2.gz OPQCJVDYMZUBMC-SECBINFHSA-N 0 0 231.320 2.806 50 0 BFAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)C ZINC000033026216 176009822 /nfs/dbraw/zinc/00/98/22/176009822.db2.gz MNZWFADELBONBQ-MRVPVSSYSA-N 0 0 243.759 2.909 50 0 BFAARN C[C@@H](Sc1nc[nH]n1)c1ccccc1 ZINC000030831862 176010464 /nfs/dbraw/zinc/01/04/64/176010464.db2.gz XAXUPNZFMUWXOW-MRVPVSSYSA-N 0 0 205.286 2.658 50 0 BFAARN C[C@@H](c1ccccc1)N(C)C(=O)[C@H]1C[C@H]1C ZINC000032721761 176018919 /nfs/dbraw/zinc/01/89/19/176018919.db2.gz SAGUQTRUDGVERG-MDZLAQPJSA-N 0 0 217.312 2.862 50 0 BFAARN C[C@@H](c1ccccn1)N(C)Cc1cncs1 ZINC000097058757 176026245 /nfs/dbraw/zinc/02/62/45/176026245.db2.gz FZUHMAYEVUJOKB-JTQLQIEISA-N 0 0 233.340 2.731 50 0 BFAARN C[C@@H]1CCCCN1Cc1nnsc1Cl ZINC000035165110 176074204 /nfs/dbraw/zinc/07/42/04/176074204.db2.gz ULFCFALXUMIMCU-SSDOTTSWSA-N 0 0 231.752 2.566 50 0 BFAARN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccnc1 ZINC000032787700 176078070 /nfs/dbraw/zinc/07/80/70/176078070.db2.gz WRSZZFVMWLTOCR-YPMHNXCESA-N 0 0 232.327 2.732 50 0 BFAARN C[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000029509736 176094552 /nfs/dbraw/zinc/09/45/52/176094552.db2.gz KLOHOOOKGXEDIH-MRVPVSSYSA-N 0 0 226.707 2.540 50 0 BFAARN C[C@@H]1CCC[C@@H](NC(=O)c2cccn2C)[C@@H]1C ZINC000032720209 176122764 /nfs/dbraw/zinc/12/27/64/176122764.db2.gz KWPRIPGEVQVWIX-IJLUTSLNSA-N 0 0 234.343 2.580 50 0 BFAARN C[C@@H]1CCC[C@]2(C1)Nc1ccccc1C(=O)N2 ZINC000066128178 176134698 /nfs/dbraw/zinc/13/46/98/176134698.db2.gz QFNGBFKANBGZQH-YGRLFVJLSA-N 0 0 230.311 2.748 50 0 BFAARN C[C@@H]1CCc2noc(NC(=O)c3ccco3)c2C1 ZINC000009340747 176240304 /nfs/dbraw/zinc/24/03/04/176240304.db2.gz JDGHLWOEBSCEQO-MRVPVSSYSA-N 0 0 246.266 2.645 50 0 BFAARN C[C@@H]1CN(C[C@H]2CCOC2)c2ccccc21 ZINC000334221057 176299982 /nfs/dbraw/zinc/29/99/82/176299982.db2.gz WFIJWIACJJPONH-VXGBXAGGSA-N 0 0 217.312 2.647 50 0 BFAARN C[C@@H]1CN(Cc2ccc(Cl)s2)CCO1 ZINC000054172114 176302405 /nfs/dbraw/zinc/30/24/05/176302405.db2.gz LHYSCNOKLCMHFS-MRVPVSSYSA-N 0 0 231.748 2.622 50 0 BFAARN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000299747160 176314144 /nfs/dbraw/zinc/31/41/44/176314144.db2.gz CFSFGSDZQVOUKJ-DYEKYZERSA-N 0 0 247.338 2.585 50 0 BFAARN C[C@@H]1CN=C(Nc2ccccc2F)S1 ZINC000000086378 176324315 /nfs/dbraw/zinc/32/43/15/176324315.db2.gz WAORFBXSARWMHX-SSDOTTSWSA-N 0 0 210.277 2.729 50 0 BFAARN C[C@@H]1COc2ccc(C(F)(F)F)cc2N1 ZINC000062526485 176348184 /nfs/dbraw/zinc/34/81/84/176348184.db2.gz WABCIIFXOCZRCM-ZCFIWIBFSA-N 0 0 217.190 2.898 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)NCCC1=CCCCC1 ZINC000057287872 176386098 /nfs/dbraw/zinc/38/60/98/176386098.db2.gz LEASRAUSZBWTPU-PWSUYJOCSA-N 0 0 207.317 2.649 50 0 BFAARN C[C@H](O)c1ccccc1OC(F)(F)F ZINC000015442975 177018249 /nfs/dbraw/zinc/01/82/49/177018249.db2.gz LWOXLMRGAQEYMM-LURJTMIESA-N 0 0 206.163 2.639 50 0 BFAARN C[C@H](Oc1ccccc1)C(=O)NC1CCCC1 ZINC000000030506 177024150 /nfs/dbraw/zinc/02/41/50/177024150.db2.gz RAKABVUUUXKNDS-NSHDSACASA-N 0 0 233.311 2.513 50 0 BFAARN C[C@H](Sc1cccc(C(F)(F)F)c1)C(N)=O ZINC000003413117 177029467 /nfs/dbraw/zinc/02/94/67/177029467.db2.gz JQAOHLPBSFGBQY-LURJTMIESA-N 0 0 249.257 2.671 50 0 BFAARN C[C@H](c1cccs1)N(C)C(=O)c1cc[nH]c1 ZINC000068285397 177049408 /nfs/dbraw/zinc/04/94/08/177049408.db2.gz FVJJJFJFFRVCTJ-SECBINFHSA-N 0 0 234.324 2.909 50 0 BFAARN C[C@H](c1ccncc1)N(C)Cc1cncs1 ZINC000097113680 177049852 /nfs/dbraw/zinc/04/98/52/177049852.db2.gz DKXBQLBYYUMPGF-SNVBAGLBSA-N 0 0 233.340 2.731 50 0 BFAARN C[C@H](c1nc(-c2ccon2)no1)C1CCC1 ZINC000333874379 177052257 /nfs/dbraw/zinc/05/22/57/177052257.db2.gz SMAVCDMKWCJBSL-ZETCQYMHSA-N 0 0 219.244 2.628 50 0 BFAARN C[C@H]1CCCCN1C(=O)c1cc(C2CC2)on1 ZINC000013363691 177073748 /nfs/dbraw/zinc/07/37/48/177073748.db2.gz KVDKMTXBXMNYPD-VIFPVBQESA-N 0 0 234.299 2.567 50 0 BFAARN C[C@H]1CCCCN1C(=O)c1ccc(F)cc1 ZINC000000029777 177073827 /nfs/dbraw/zinc/07/38/27/177073827.db2.gz XUICTSGWQFABFN-JTQLQIEISA-N 0 0 221.275 2.840 50 0 BFAARN C[C@H]1CCCCN1C(=O)c1c(F)cccc1F ZINC000000444519 177073983 /nfs/dbraw/zinc/07/39/83/177073983.db2.gz LOCJFGPYHWEXOR-VIFPVBQESA-N 0 0 239.265 2.979 50 0 BFAARN C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccccn1 ZINC000032787680 177087128 /nfs/dbraw/zinc/08/71/28/177087128.db2.gz YDVCNRVXMIOIGS-WCQYABFASA-N 0 0 232.327 2.732 50 0 BFAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000000971901 177087971 /nfs/dbraw/zinc/08/79/71/177087971.db2.gz BDVZXZBKLDUQNY-WCQYABFASA-N 0 0 217.312 2.995 50 0 BFAARN C[C@H](Oc1ccccc1)C(=O)N1CCC[C@H](C)C1 ZINC000002800823 177093479 /nfs/dbraw/zinc/09/34/79/177093479.db2.gz KUNCMVZNJCVBNU-STQMWFEESA-N 0 0 247.338 2.712 50 0 BFAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@H](C)C1 ZINC000000030484 177093862 /nfs/dbraw/zinc/09/38/62/177093862.db2.gz KUNCMVZNJCVBNU-QWHCGFSZSA-N 0 0 247.338 2.712 50 0 BFAARN C[C@H]1CCC[C@@H](NC(=O)c2ccnc(F)c2)C1 ZINC000041038984 177122041 /nfs/dbraw/zinc/12/20/41/177122041.db2.gz CQPOUINBWZXCAO-GXSJLCMTSA-N 0 0 236.290 2.529 50 0 BFAARN C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000023114702 177263198 /nfs/dbraw/zinc/26/31/98/177263198.db2.gz CVNSXCFVYUQSAW-AOOOYVTPSA-N 0 0 241.281 2.574 50 0 BFAARN C[C@@H]1CO[C@@H](C)CN1Cc1cccc(Cl)c1 ZINC000045784350 177264376 /nfs/dbraw/zinc/26/43/76/177264376.db2.gz UEEJOQPFVHHBPB-MNOVXSKESA-N 0 0 239.746 2.949 50 0 BFAARN C[C@H]1CN=C(Nc2cccc(F)c2)S1 ZINC000000086372 177282235 /nfs/dbraw/zinc/28/22/35/177282235.db2.gz HACQCQBZFCWXOT-ZETCQYMHSA-N 0 0 210.277 2.729 50 0 BFAARN C[C@@H]1CN(C(=O)CCC2CCCC2)[C@@H](C)CO1 ZINC000045446163 177301165 /nfs/dbraw/zinc/30/11/65/177301165.db2.gz NXIITIGPLXYQIE-NWDGAFQWSA-N 0 0 239.359 2.593 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)Cc2cccs2)C1 ZINC000016972157 177311305 /nfs/dbraw/zinc/31/13/05/177311305.db2.gz BZZMDFFKTWQPAE-PHIMTYICSA-N 0 0 237.368 2.795 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)NC1CCCCCCC1 ZINC000013329319 177340186 /nfs/dbraw/zinc/34/01/86/177340186.db2.gz SEFREKPHHHXHTH-JQWIXIFHSA-N 0 0 209.333 2.872 50 0 BFAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(F)cc2)C1 ZINC000000029761 177357820 /nfs/dbraw/zinc/35/78/20/177357820.db2.gz JGSLWDATJNUNQD-QWRGUYRKSA-N 0 0 235.302 2.944 50 0 BFAARN C[C@H]1C[C@H](C)CN(Cc2nnsc2Cl)C1 ZINC000035164950 177358117 /nfs/dbraw/zinc/35/81/17/177358117.db2.gz SFUIILRXKBXIQJ-YUMQZZPRSA-N 0 0 245.779 2.669 50 0 BFAARN C[C@H]1C[C@H]1C(=O)N(C)Cc1ccccc1Cl ZINC000012979438 177376601 /nfs/dbraw/zinc/37/66/01/177376601.db2.gz MISYTIIRDFJOOG-GXSJLCMTSA-N 0 0 237.730 2.954 50 0 BFAARN C[C@H]1[C@H](c2ccccc2)CCN1c1cnccn1 ZINC000267574412 177436141 /nfs/dbraw/zinc/43/61/41/177436141.db2.gz XWKLFHKWBAZNMJ-GXTWGEPZSA-N 0 0 239.322 2.859 50 0 BFAARN C[Si](C)(C)c1cccc(Br)c1 ZINC000169875537 177500003 /nfs/dbraw/zinc/50/00/03/177500003.db2.gz JXQZFRPARQBDKV-UHFFFAOYSA-N 0 0 229.193 2.994 50 0 BFAARN Cc1n[nH]cc1C(=O)N1CCC2(C1)CCCCC2 ZINC000089544401 177544060 /nfs/dbraw/zinc/54/40/60/177544060.db2.gz ZAQCEHFRUGVMRP-UHFFFAOYSA-N 0 0 247.342 2.515 50 0 BFAARN Cc1c(N)ccc(-n2nc3ccccc3n2)c1C ZINC000000353195 177611262 /nfs/dbraw/zinc/61/12/62/177611262.db2.gz GHWYFEGTRAZLIJ-UHFFFAOYSA-N 0 0 238.294 2.620 50 0 BFAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c(F)c1F ZINC000015002892 262712726 /nfs/dbraw/zinc/71/27/26/262712726.db2.gz KGRUTMGZAZREQL-WDSKDSINSA-N 0 0 229.201 2.698 50 0 BFAARN CCCc1cc(C(=O)N(C)C)sc1C ZINC000032721896 262721000 /nfs/dbraw/zinc/72/10/00/262721000.db2.gz PFPKVAYWKNDDNK-UHFFFAOYSA-N 0 0 211.330 2.711 50 0 BFAARN CN(C(=O)C1CCC1)C1CCCCCC1 ZINC000032857948 487694297 /nfs/dbraw/zinc/69/42/97/487694297.db2.gz CZADHJJENXVGOF-UHFFFAOYSA-N 0 0 209.333 2.968 50 0 BFAARN O=C(C[C@H]1C=CCC1)N1CCc2sccc2C1 ZINC000032883747 487695580 /nfs/dbraw/zinc/69/55/80/487695580.db2.gz WQCSVIXNJMJPMA-NSHDSACASA-N 0 0 247.363 2.989 50 0 BFAARN Cc1ccc([C@]2(C(=O)N3CCC3)CC2(C)C)cc1 ZINC000299756714 487802426 /nfs/dbraw/zinc/80/24/26/487802426.db2.gz DWNJACQCWKECIH-INIZCTEOSA-N 0 0 243.350 2.895 50 0 BFAARN O=C(Nc1cn[nH]c1)N1CCC[C@H]1C1CCCC1 ZINC000048961184 487937061 /nfs/dbraw/zinc/93/70/61/487937061.db2.gz XFWUVYPDNWANME-LBPRGKRZSA-N 0 0 248.330 2.596 50 0 BFAARN Nc1cc(Cl)ccc1C(=O)[C@H]1CCCOC1 ZINC000225020656 323009091 /nfs/dbraw/zinc/00/90/91/323009091.db2.gz VALKJXLEEVOACY-QMMMGPOBSA-N 0 0 239.702 2.532 50 0 BFAARN CC[C@@H](C)NC(=O)c1ccc(-c2c[nH]nc2C)o1 ZINC000534633536 323156797 /nfs/dbraw/zinc/15/67/97/323156797.db2.gz CLOGGYYTSWMSFH-MRVPVSSYSA-N 0 0 247.298 2.506 50 0 BFAARN O=C1C=CCC2(CCCC2)[C@]12CCCO2 ZINC000043198877 323236834 /nfs/dbraw/zinc/23/68/34/323236834.db2.gz JXVHYGQFCONZFB-ZDUSSCGKSA-N 0 0 206.285 2.625 50 0 BFAARN CC[C@H](C)C[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000212036128 323238734 /nfs/dbraw/zinc/23/87/34/323238734.db2.gz GEXRCMDAIKGSBL-NSHDSACASA-N 0 0 247.338 2.789 50 0 BFAARN C(=C/c1ccncn1)\c1ccc(-n2cccn2)cc1 ZINC000157292174 326266215 /nfs/dbraw/zinc/26/62/15/326266215.db2.gz GAUOSCCPUQHENE-GORDUTHDSA-N 0 0 248.289 2.833 50 0 BFAARN CC(C)CC(=O)Nc1cc(CC(C)C)nn1C ZINC000084575104 488064769 /nfs/dbraw/zinc/06/47/69/488064769.db2.gz KZBNAGXLJYAVBH-UHFFFAOYSA-N 0 0 237.347 2.603 50 0 BFAARN FC(F)(F)CCN(Cc1ccon1)C1CCC1 ZINC000084618114 488072406 /nfs/dbraw/zinc/07/24/06/488072406.db2.gz CCXXXSRZLMAVSV-UHFFFAOYSA-N 0 0 248.248 2.982 50 0 BFAARN Cc1cc(C)c(C(=O)NC[C@@H]2CCCO2)c(C)c1 ZINC000000029092 487470767 /nfs/dbraw/zinc/47/07/67/487470767.db2.gz JLXUHPWYSWGUMW-ZDUSSCGKSA-N 0 0 247.338 2.521 50 0 BFAARN Cc1cccc(OC2CN([C@@H]3CCSC3)C2)c1 ZINC000670453909 487506472 /nfs/dbraw/zinc/50/64/72/487506472.db2.gz VKQJEALSXHCDNC-GFCCVEGCSA-N 0 0 249.379 2.564 50 0 BFAARN S=c1nc[nH]c2c3cccnc3sc21 ZINC000004365213 490043240 /nfs/dbraw/zinc/04/32/40/490043240.db2.gz VKYNRKPPWBUDET-UHFFFAOYSA-N 0 0 219.294 2.528 50 0 BFAARN Cc1cc(CN(C)C(=O)C2CCCCC2)on1 ZINC000064555620 487562296 /nfs/dbraw/zinc/56/22/96/487562296.db2.gz OPGUAYSXBAEJER-UHFFFAOYSA-N 0 0 236.315 2.522 50 0 BFAARN C[C@H](c1nc(-c2ccccc2)no1)n1ccnc1 ZINC000071778951 487588332 /nfs/dbraw/zinc/58/83/32/487588332.db2.gz WBUQQHHCNJKQPS-SNVBAGLBSA-N 0 0 240.266 2.542 50 0 BFAARN NC(=O)c1ccc(F)c(OCc2ccccc2)c1 ZINC000670417731 488183704 /nfs/dbraw/zinc/18/37/04/488183704.db2.gz RHVLTLFVXDHAPP-UHFFFAOYSA-N 0 0 245.253 2.504 50 0 BFAARN Cc1ccncc1[C@@H](C)N[C@H](C)c1nccn1C ZINC000678770302 488281054 /nfs/dbraw/zinc/28/10/54/488281054.db2.gz LCTJIIZXCOPGIL-VXGBXAGGSA-N 0 0 244.342 2.535 50 0 BFAARN C[N@H+](CCC(=O)[O-])Cc1ccc2ccccc2c1 ZINC000089340321 490210376 /nfs/dbraw/zinc/21/03/76/490210376.db2.gz LJIZKJANNAWHQE-UHFFFAOYSA-N 0 0 243.306 2.746 50 0 BFAARN C[C@@H](O)c1cccc(Br)c1F ZINC000066309201 490247995 /nfs/dbraw/zinc/24/79/95/490247995.db2.gz QFVPIDFXSBXICP-RXMQYKEDSA-N 0 0 219.053 2.642 50 0 BFAARN Cc1noc(COc2cc(C)ccc2Cl)n1 ZINC000040489686 490289788 /nfs/dbraw/zinc/28/97/88/490289788.db2.gz IJGFODSJIZBBAG-UHFFFAOYSA-N 0 0 238.674 2.919 50 0 BFAARN O=C1CCc2ccc(F)c(Br)c21 ZINC000084192975 490303664 /nfs/dbraw/zinc/30/36/64/490303664.db2.gz PVWJFHDXZQXBRZ-UHFFFAOYSA-N 0 0 229.048 2.717 50 0 BFAARN CCC[C@H](C)C(=O)Nc1ccccc1C(=O)OC ZINC000000030888 517605485 /nfs/dbraw/zinc/60/54/85/517605485.db2.gz QIPAFWSZZFDUKG-JTQLQIEISA-N 0 0 249.310 2.848 50 0 BFAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2C)o1 ZINC000009616800 518189946 /nfs/dbraw/zinc/18/99/46/518189946.db2.gz GUCHGQFKDCDHRE-ZDUSSCGKSA-N 0 0 242.278 2.784 50 0 BFAARN CCC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)OCC ZINC000242304992 520820220 /nfs/dbraw/zinc/82/02/20/520820220.db2.gz YTWLYZARXLUWAX-YNEHKIRRSA-N 0 0 241.375 2.887 50 0 BFAARN CCc1ccc(CCC(=O)NCC2CC2)cc1 ZINC000040051572 523914204 /nfs/dbraw/zinc/91/42/04/523914204.db2.gz NKIRCQXXJBGVCL-UHFFFAOYSA-N 0 0 231.339 2.708 50 0 BFAARN C[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCCO1 ZINC000247972202 524164688 /nfs/dbraw/zinc/16/46/88/524164688.db2.gz BBQWZIJITHOIIS-JHJVBQTASA-N 0 0 239.359 2.641 50 0 BFAARN C[C@@H](CC(=O)NCc1cc[nH]n1)C1CCCCC1 ZINC000071853765 524375823 /nfs/dbraw/zinc/37/58/23/524375823.db2.gz LATRFEZNYVDDGH-NSHDSACASA-N 0 0 249.358 2.632 50 0 BFAARN Cc1cc(C)cc(CSCC(=O)NC2CC2)c1 ZINC000020237948 524394676 /nfs/dbraw/zinc/39/46/76/524394676.db2.gz KWGGANARVPUYJA-UHFFFAOYSA-N 0 0 249.379 2.815 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000252212546 525303436 /nfs/dbraw/zinc/30/34/36/525303436.db2.gz YLSHQKYEVVSIEL-NAWOPXAZSA-N 0 0 221.344 2.822 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000252212547 525304452 /nfs/dbraw/zinc/30/44/52/525304452.db2.gz YLSHQKYEVVSIEL-NJMOYASZSA-N 0 0 221.344 2.822 50 0 BFAARN Cc1cccn2cc(-c3ccccc3N)nc12 ZINC000258159077 525470235 /nfs/dbraw/zinc/47/02/35/525470235.db2.gz DPBLHPUFTCYWHT-UHFFFAOYSA-N 0 0 223.279 2.892 50 0 BFAARN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cn[nH]c1 ZINC000246211512 525511048 /nfs/dbraw/zinc/51/10/48/525511048.db2.gz XZPJHYVGRPNBKF-CKYFFXLPSA-N 0 0 248.330 2.595 50 0 BFAARN C[C@@H]1[C@H]2CCC[C@H](C2=O)[C@]2(O)CCCC[C@@H]12 ZINC000252694096 525714495 /nfs/dbraw/zinc/71/44/95/525714495.db2.gz HZMOLOUVPKADBE-DIACKHNESA-N 0 0 222.328 2.543 50 0 biogenic BFAARN COc1cccc(COc2nc(C(C)C)no2)c1 ZINC000069771366 526060563 /nfs/dbraw/zinc/06/05/63/526060563.db2.gz UFLHRMMFMYQGFT-UHFFFAOYSA-N 0 0 248.282 2.781 50 0 BFAARN Cc1csc(=NC(=O)Nc2ccccc2)n1C ZINC000334157729 526305006 /nfs/dbraw/zinc/30/50/06/526305006.db2.gz GFQPTFYYMAELMC-UHFFFAOYSA-N 0 0 247.323 2.528 50 0 BFAARN Oc1ccccc1-n1cc(C(F)(F)F)cn1 ZINC000070675423 526369713 /nfs/dbraw/zinc/36/97/13/526369713.db2.gz USALPUWZEKCNNW-UHFFFAOYSA-N 0 0 228.173 2.597 50 0 BFAARN O=C(COc1ccccc1)OCc1ccccc1 ZINC000038221967 526986787 /nfs/dbraw/zinc/98/67/87/526986787.db2.gz ORSXISLPWNELTJ-UHFFFAOYSA-N 0 0 242.274 2.809 50 0 BFAARN CC(C)CN1c2ccccc2[C@H](C(N)=O)C[C@@H]1C ZINC000071811784 535146943 /nfs/dbraw/zinc/14/69/43/535146943.db2.gz VTGDSTLWPQUNJA-WCQYABFASA-N 0 0 246.354 2.510 50 0 BFAARN CCNC(=O)c1ccc(OC)c2ccccc12 ZINC000032737984 535438977 /nfs/dbraw/zinc/43/89/77/535438977.db2.gz JIQWVKQYCGQRBF-UHFFFAOYSA-N 0 0 229.279 2.598 50 0 BFAARN c1cc([C@@H]2NC(c3ccccc3)=NO2)cs1 ZINC000003255814 537960102 /nfs/dbraw/zinc/96/01/02/537960102.db2.gz SQWSKQMRENKWSF-GFCCVEGCSA-N 0 0 230.292 2.728 50 0 BFAARN COCSc1nc2cc(F)c(F)cc2[nH]1 ZINC000079001660 566316062 /nfs/dbraw/zinc/31/60/62/566316062.db2.gz LNZXUHKGVZHCCB-UHFFFAOYSA-N 0 0 230.239 2.537 50 0 BFAARN O=Cc1c(F)cccc1-c1ccncc1F ZINC000395146588 583045134 /nfs/dbraw/zinc/04/51/34/583045134.db2.gz XCOHVHPWUAFXOC-UHFFFAOYSA-N 0 0 219.190 2.839 50 0 BFAARN O=C([C@H]1C[C@H]1c1cccc(F)c1)N1CCCC1 ZINC000067125191 582462530 /nfs/dbraw/zinc/46/25/30/582462530.db2.gz HLVOTBBKRZFXBS-STQMWFEESA-N 0 0 233.286 2.552 50 0 BFAARN O=Cc1cc(F)ccc1-c1ccncc1F ZINC000236169107 582640296 /nfs/dbraw/zinc/64/02/96/582640296.db2.gz TXFGALCCKGGLAP-UHFFFAOYSA-N 0 0 219.190 2.839 50 0 BFAARN CC[C@@H]1CCC(O)=C(C(=O)C(C)(C)C)C1 ZINC000043651539 582806223 /nfs/dbraw/zinc/80/62/23/582806223.db2.gz QVYXQKLUNDWERF-ZJUUUORDSA-N 0 0 210.317 2.997 50 0 BFAARN CCC(CC)CN(CC)C(=O)/C=C/c1cn[nH]c1 ZINC000888099610 583181210 /nfs/dbraw/zinc/18/12/10/583181210.db2.gz SKSLEXIEUORQFF-BQYQJAHWSA-N 0 0 249.358 2.708 50 0 BFAARN C=CC(=O)N[C@H]1C[C@H](C)c2ccccc21 ZINC000888102392 583182575 /nfs/dbraw/zinc/18/25/75/583182575.db2.gz UNNDJBFQJLJXBU-CABZTGNLSA-N 0 0 201.269 2.537 50 0 BFAARN C=CC(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000791348932 585978514 /nfs/dbraw/zinc/97/85/14/585978514.db2.gz LIKRVWQWLWELPF-AWEZNQCLSA-N 0 0 229.323 2.969 50 0 BFAARN C=CC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000791380405 585979702 /nfs/dbraw/zinc/97/97/02/585979702.db2.gz QPJRATHUJYSWIM-OTYXRUKQSA-N 0 0 233.286 2.751 50 0 BFAARN c1ccc2c(c1)nnn2CSCC1CC1 ZINC000863950126 589327446 /nfs/dbraw/zinc/32/74/46/589327446.db2.gz WDTYSNFGRKUASO-UHFFFAOYSA-N 0 0 219.313 2.532 50 0 BFAARN C=CC(=O)N[C@H]1C[C@H](c2ccccc2C)C1 ZINC000863970418 589329763 /nfs/dbraw/zinc/32/97/63/589329763.db2.gz IYXGNVXPDBCQCX-HAQNSBGRSA-N 0 0 215.296 2.543 50 0 BFAARN C=CC(=O)NCc1cc(C2CC2)ccc1F ZINC000863971064 589330313 /nfs/dbraw/zinc/33/03/13/589330313.db2.gz DEJVPJLZZGRLQU-UHFFFAOYSA-N 0 0 219.259 2.505 50 0 BFAARN C=CC(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000863971056 589330326 /nfs/dbraw/zinc/33/03/26/589330326.db2.gz DBYJPPKTYQZZFT-UHFFFAOYSA-N 0 0 237.249 2.646 50 0 BFAARN C=CC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000863971565 589330608 /nfs/dbraw/zinc/33/06/08/589330608.db2.gz YXVSWUFTVQHGGL-AAEUAGOBSA-N 0 0 233.286 2.764 50 0 BFAARN Cn1c(C(=O)N2CCC2)cc2ccc(Cl)cc21 ZINC000215331320 591747931 /nfs/dbraw/zinc/74/79/31/591747931.db2.gz BBTCECMOKYVRJL-UHFFFAOYSA-N 0 0 248.713 2.678 50 0 BFAARN Cc1ccc2cc(C)c(N3CCOCC3)nc2c1 ZINC000004997197 635181134 /nfs/dbraw/zinc/18/11/34/635181134.db2.gz PSELKCSXCRNZGZ-UHFFFAOYSA-N 0 0 242.322 2.688 50 0 BFAARN C=CC(=O)N1CC[C@H](Cc2cccc(Cl)c2)C1 ZINC000888098398 635376540 /nfs/dbraw/zinc/37/65/40/635376540.db2.gz CMMWMULTFPNBRC-GFCCVEGCSA-N 0 0 249.741 2.917 50 0 BFAARN COc1cc(F)ccc1-c1c(C)ncnc1OC ZINC000426380162 635696698 /nfs/dbraw/zinc/69/66/98/635696698.db2.gz TUJYZAIKXDDNHX-UHFFFAOYSA-N 0 0 248.257 2.608 50 0 BFAARN COc1cccc(-c2ccccc2C(N)=O)c1F ZINC000032541261 641358799 /nfs/dbraw/zinc/35/87/99/641358799.db2.gz LYKRILIGJOBUGK-UHFFFAOYSA-N 0 0 245.253 2.600 50 0 BFAARN CCc1csc(NC(=O)/C=C/c2ccco2)n1 ZINC000078512248 641931289 /nfs/dbraw/zinc/93/12/89/641931289.db2.gz IPOLPGWGOBJOAF-AATRIKPKSA-N 0 0 248.307 2.950 50 0 BFAARN O=C(/C=C\c1ccco1)N1CCc2ccccc21 ZINC000033299662 642046899 /nfs/dbraw/zinc/04/68/99/642046899.db2.gz XFJDULHCELCQOW-FPLPWBNLSA-N 0 0 239.274 2.882 50 0 BFAARN Nc1cccc(-n2nncc2-c2ccccc2)c1 ZINC000000192402 642751029 /nfs/dbraw/zinc/75/10/29/642751029.db2.gz SEXDWYVKQGEZNE-UHFFFAOYSA-N 0 0 236.278 2.517 50 0 BFAARN CCCCn1[nH]cc2nc(-c3cccnc3)nc1-2 ZINC000019111009 643039687 /nfs/dbraw/zinc/03/96/87/643039687.db2.gz LXEDYSNGCMDRRG-UHFFFAOYSA-N 0 0 241.298 2.622 50 0 BFAARN CC(C)c1ccc(OCCN2CCOCC2)cc1 ZINC000019770552 643043585 /nfs/dbraw/zinc/04/35/85/643043585.db2.gz WLMZTZLKKJPZHN-UHFFFAOYSA-N 0 0 249.354 2.521 50 0 BFAARN Cc1cc(NC(=O)CCC2(C)CC2)sn1 ZINC000020560822 643062739 /nfs/dbraw/zinc/06/27/39/643062739.db2.gz JOLACNNJQLLVFX-UHFFFAOYSA-N 0 0 224.329 2.970 50 0 BFAARN CSc1ccccc1-c1cc(C(N)=O)ccn1 ZINC000032578126 643219782 /nfs/dbraw/zinc/21/97/82/643219782.db2.gz MNCYJASFAOABEA-UHFFFAOYSA-N 0 0 244.319 2.569 50 0 BFAARN CC[C@H]1Oc2ccc(Br)cc2C1=O ZINC000082759576 643376685 /nfs/dbraw/zinc/37/66/85/643376685.db2.gz AZSKURUNNPHUPG-MRVPVSSYSA-N 0 0 241.084 2.803 50 0 BFAARN CC[C@H]1C=CCN1C(=O)c1ccc(C(C)=O)s1 ZINC000952969947 644445195 /nfs/dbraw/zinc/44/51/95/644445195.db2.gz KUZBGNVJJAEKHF-JTQLQIEISA-N 0 0 249.335 2.741 50 0 BFAARN C=CC(=O)N[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000139635624 712355533 /nfs/dbraw/zinc/35/55/33/712355533.db2.gz LKPFVVUIGDXNNU-GRYCIOLGSA-N 0 0 207.317 2.648 50 0 BFAARN O=c1[nH]oc2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000004866231 711733433 /nfs/dbraw/zinc/73/34/33/711733433.db2.gz OYVNHQKKQULOJD-UHFFFAOYSA-N 0 0 244.172 2.825 50 0 BFAARN COC1(C)CN(c2nc3ccccc3s2)C1 ZINC000095452440 711976001 /nfs/dbraw/zinc/97/60/01/711976001.db2.gz HBEXGISYPYVJDP-UHFFFAOYSA-N 0 0 234.324 2.521 50 0 BFAARN C[C@@]1(CNc2nccc3cccnc32)CCCO1 ZINC000716831831 712577679 /nfs/dbraw/zinc/57/76/79/712577679.db2.gz ALOSQCBBOTZGBV-AWEZNQCLSA-N 0 0 243.310 2.611 50 0 BFAARN FC(F)c1cc(N[C@@H]2CC=CCC2)ncn1 ZINC000670893181 962306398 /nfs/dbraw/zinc/30/63/98/962306398.db2.gz UQYHABGOKYHDPL-MRVPVSSYSA-N 0 0 225.242 2.935 50 0 BFAARN COC(=O)/C=C(\C)CSc1cccc(O)c1 ZINC000585119023 972149048 /nfs/dbraw/zinc/14/90/48/972149048.db2.gz MYXZIWBOKNCKSX-RMKNXTFCSA-N 0 0 238.308 2.604 50 0 BFAARN C=CC(=O)N[C@H](CC(F)(F)F)C(C)(C)C ZINC000585122696 972153317 /nfs/dbraw/zinc/15/33/17/972153317.db2.gz HALDBOXAXAWBSO-SSDOTTSWSA-N 0 0 223.238 2.656 50 0 BFAARN O=C(Nc1cnsc1)c1ccoc1C1CC1 ZINC000585125255 972156297 /nfs/dbraw/zinc/15/62/97/972156297.db2.gz LIUHCDJSXLAJIV-UHFFFAOYSA-N 0 0 234.280 2.866 50 0 BFAARN CCc1c(NC(=O)C(F)F)onc1C(C)(C)C ZINC000585124847 972157882 /nfs/dbraw/zinc/15/78/82/972157882.db2.gz VQBUJZQKGTZNDK-UHFFFAOYSA-N 0 0 246.257 2.738 50 0 BFAARN CC1(N(C(=O)[C@H]2CCCO2)c2ccccc2)CC1 ZINC000585125641 972157947 /nfs/dbraw/zinc/15/79/47/972157947.db2.gz ZYTLGEKWQCVPBT-CYBMUJFWSA-N 0 0 245.322 2.751 50 0 BFAARN C/C=C(\CC)C(=O)NCCOc1ccccc1 ZINC000588565240 959189749 /nfs/dbraw/zinc/18/97/49/959189749.db2.gz XPNQNINDXKYCIM-KGVSQERTSA-N 0 0 233.311 2.538 50 0 BFAARN Cc1nnc(OCC2CC3(CCC3)C2)s1 ZINC000585652935 959541194 /nfs/dbraw/zinc/54/11/94/959541194.db2.gz ZDYKRQMZRUGPLC-UHFFFAOYSA-N 0 0 224.329 2.806 50 0 BFAARN Cc1nc(OC[C@@H]2CCCOC2)sc1C ZINC000585651498 959541315 /nfs/dbraw/zinc/54/13/15/959541315.db2.gz DIGYQKMDNGIFAF-SNVBAGLBSA-N 0 0 227.329 2.565 50 0 BFAARN O=C(c1ccoc1)N1CC[C@H](c2ccsc2)C1 ZINC000675008187 960430560 /nfs/dbraw/zinc/43/05/60/960430560.db2.gz HJEACWQDLLOCAX-JTQLQIEISA-N 0 0 247.319 2.971 50 0 BFAARN C=CC(=O)N[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000139635897 966767342 /nfs/dbraw/zinc/76/73/42/966767342.db2.gz LKPFVVUIGDXNNU-SDDRHHMPSA-N 0 0 207.317 2.648 50 0 BFAARN COc1nccnc1-c1cc(F)cc(Cl)c1 ZINC000824853276 968625670 /nfs/dbraw/zinc/62/56/70/968625670.db2.gz LJWAAWYTAXGZDT-UHFFFAOYSA-N 0 0 238.649 2.945 50 0 BFAARN CCOC(=O)c1ncoc1-c1cccc(F)c1 ZINC000043304287 973143946 /nfs/dbraw/zinc/14/39/46/973143946.db2.gz PVKNYZFXHNFWRI-UHFFFAOYSA-N 0 0 235.214 2.657 50 0 BFAARN CC(C)c1ccc(N[C@H]2CC[C@@H]2O)cc1 ZINC000585299013 973916559 /nfs/dbraw/zinc/91/65/59/973916559.db2.gz ZHMMKSMECCOPJH-STQMWFEESA-N 0 0 205.301 2.745 50 0 BFAARN Cc1ccc(O[C@@H]2CCc3ccccc32)nn1 ZINC000585652023 973920095 /nfs/dbraw/zinc/92/00/95/973920095.db2.gz UUUYCVOMXKBIFV-CYBMUJFWSA-N 0 0 226.279 2.851 50 0 BFAARN FC(F)(F)c1ccnc(OC[C@@H]2CCCO2)c1 ZINC000585654033 973923145 /nfs/dbraw/zinc/92/31/45/973923145.db2.gz BKCIKXNUVZQWOL-VIFPVBQESA-N 0 0 247.216 2.658 50 0 BFAARN FC(F)(F)c1ccc(OC[C@H]2CCCO2)nc1 ZINC000585654128 973929128 /nfs/dbraw/zinc/92/91/28/973929128.db2.gz DBRAVVJLMACSEV-SECBINFHSA-N 0 0 247.216 2.658 50 0 BFAARN c1ccc2c(c1)CCC[C@@H]2Oc1cnccn1 ZINC000585655270 973929199 /nfs/dbraw/zinc/92/91/99/973929199.db2.gz ZQVRHDDSPFEFEV-ZDUSSCGKSA-N 0 0 226.279 2.933 50 0 BFAARN C=CC(=O)Nc1nc2c(s1)CCCCC2 ZINC000690678991 985652467 /nfs/dbraw/zinc/65/24/67/985652467.db2.gz AYCXDXYBVWRTRK-UHFFFAOYSA-N 0 0 222.313 2.537 50 0 BFAARN CC(C)(C)OC(=O)n1cc2c(c1)C(=O)CCC2 ZINC000642882276 986586365 /nfs/dbraw/zinc/58/63/65/986586365.db2.gz OLFWCRFYEXVDJO-UHFFFAOYSA-N 0 0 235.283 2.790 50 0 BFAARN Cc1cccc(-c2cc(NC(C)C)nc(N)n2)c1 ZINC001506401034 988775943 /nfs/dbraw/zinc/77/59/43/988775943.db2.gz LYVOXXXUBJBABF-UHFFFAOYSA-N 0 0 242.326 2.855 50 0 BFAARN Cc1cnc(NCC2(CC(C)C)CCC2)nc1N ZINC001529101637 990330941 /nfs/dbraw/zinc/33/09/41/990330941.db2.gz IZWTVFMNWXONEE-UHFFFAOYSA-N 0 0 248.374 2.996 50 0 BFAARN Cc1cnc(NC2CCCCCC2)nc1N(C)C ZINC001529186438 990335494 /nfs/dbraw/zinc/33/54/94/990335494.db2.gz ZKLVGQNFLMXYJE-UHFFFAOYSA-N 0 0 248.374 2.986 50 0 BFAARN CC(C)n1cc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cn1 ZINC001529179857 990336324 /nfs/dbraw/zinc/33/63/24/990336324.db2.gz FIUXOTPKXFCCKH-NTZNESFSSA-N 0 0 245.326 2.615 50 0 BFAARN Cc1cc(C)n(C(=O)/C=C/c2ccc(C)o2)n1 ZINC000004145012 177920515 /nfs/dbraw/zinc/92/05/15/177920515.db2.gz FYSUNZZDHDGLHF-VOTSOKGWSA-N 0 0 230.267 2.755 50 0 BFAARN Cc1cc(C)n(C(=O)[C@]2(C)CC2(Cl)Cl)n1 ZINC000002761057 177922506 /nfs/dbraw/zinc/92/25/06/177922506.db2.gz KSXNBYSDAUELKO-VIFPVBQESA-N 0 0 247.125 2.724 50 0 BFAARN CC(=O)c1sc(NC(C)(C)C)nc1C ZINC000007844597 398139675 /nfs/dbraw/zinc/13/96/75/398139675.db2.gz XSYZUWBGRMFQBY-UHFFFAOYSA-N 0 0 212.318 2.865 50 0 BFAARN CC1(O)C[C@]23CC(=O)C[C@]2(C1)CCCCC3 ZINC000071786349 262790759 /nfs/dbraw/zinc/79/07/59/262790759.db2.gz QLMZFZMBQRARSY-KBPBESRZSA-N 0 0 222.328 2.831 50 0 BFAARN Cc1ccc(OCCNC(=O)C(C)(C)C)c(C)c1 ZINC000071376201 398147733 /nfs/dbraw/zinc/14/77/33/398147733.db2.gz ZIJHOQMTNXZCIG-UHFFFAOYSA-N 0 0 249.354 2.845 50 0 BFAARN CCC(CC)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000041194575 168334964 /nfs/dbraw/zinc/33/49/64/168334964.db2.gz YOPFGUNYXPWGOF-CHWSQXEVSA-N 0 0 239.359 2.593 50 0 BFAARN Cc1cc(CN2C[C@@H](C)O[C@H](C)C2)cc(C)c1O ZINC000020413070 178005417 /nfs/dbraw/zinc/00/54/17/178005417.db2.gz ATKGIAOFPRSGHG-CHWSQXEVSA-N 0 0 249.354 2.618 50 0 BFAARN Cc1cc(CNC(=O)C(C)(C)C)c(C)o1 ZINC000070640322 178009474 /nfs/dbraw/zinc/00/94/74/178009474.db2.gz LYSNKLGUVULJAV-UHFFFAOYSA-N 0 0 209.289 2.559 50 0 BFAARN Cc1cc(CNC(=O)/C=C/c2ccco2)c(C)o1 ZINC000070640334 178009502 /nfs/dbraw/zinc/00/95/02/178009502.db2.gz ZZDHAWLLXHFOPS-AATRIKPKSA-N 0 0 245.278 2.819 50 0 BFAARN Cc1cc(CNC(=O)Cc2ccsc2)c(C)o1 ZINC000096120543 178012317 /nfs/dbraw/zinc/01/23/17/178012317.db2.gz HKCQNQLZHWTPIF-UHFFFAOYSA-N 0 0 249.335 2.817 50 0 BFAARN Cc1cc(CNC(=O)[C@H]2CC=CCC2)c(C)o1 ZINC000074615940 178016038 /nfs/dbraw/zinc/01/60/38/178016038.db2.gz ZYRBQRVBICOSOC-LBPRGKRZSA-N 0 0 233.311 2.869 50 0 BFAARN CCC(CC)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000018210194 168336470 /nfs/dbraw/zinc/33/64/70/168336470.db2.gz UYYYTCYXIRSCDM-PHIMTYICSA-N 0 0 211.349 2.927 50 0 BFAARN Cc1cc(CNc2ccc(F)cc2)on1 ZINC000064556205 178043001 /nfs/dbraw/zinc/04/30/01/178043001.db2.gz IQKLJOOMXHJNKO-UHFFFAOYSA-N 0 0 206.220 2.734 50 0 BFAARN Cc1cc(CNc2cccc(F)c2F)on1 ZINC000309421910 178043396 /nfs/dbraw/zinc/04/33/96/178043396.db2.gz LMBWTELRPMZSNP-UHFFFAOYSA-N 0 0 224.210 2.873 50 0 BFAARN Cc1cc(CNc2cccc(F)c2)ncn1 ZINC000309711411 178043641 /nfs/dbraw/zinc/04/36/41/178043641.db2.gz QSOHSASMXFVHBH-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN CC(C)C(=O)NCCCc1ccc(F)cc1 ZINC000072117611 398177905 /nfs/dbraw/zinc/17/79/05/398177905.db2.gz HASGSLIMBWJSKH-UHFFFAOYSA-N 0 0 223.291 2.531 50 0 BFAARN Cc1cc(COc2cccc3c2CCC3=O)on1 ZINC000025829233 178048630 /nfs/dbraw/zinc/04/86/30/178048630.db2.gz ABOMAECTKWKINK-UHFFFAOYSA-N 0 0 243.262 2.691 50 0 BFAARN CC[C@@H](C)NC(=O)Cc1ccc(Cl)cc1F ZINC000072117882 398178526 /nfs/dbraw/zinc/17/85/26/398178526.db2.gz WQFUALMHPJFIAP-MRVPVSSYSA-N 0 0 243.709 2.936 50 0 BFAARN Cc1csc(-c2cnn(C(C)(C)C)c2N)n1 ZINC000241316970 398159993 /nfs/dbraw/zinc/15/99/93/398159993.db2.gz LWOAPCLJBRCFEJ-UHFFFAOYSA-N 0 0 236.344 2.652 50 0 BFAARN O=C(O[C@@H]1CCOc2ccccc21)c1ccoc1 ZINC000241515510 398161054 /nfs/dbraw/zinc/16/10/54/398161054.db2.gz OFXQNCWLVSKZRF-CYBMUJFWSA-N 0 0 244.246 2.960 50 0 BFAARN Cc1cc(F)c(F)cc1C(=O)N1CCCCC1 ZINC000000437934 178075871 /nfs/dbraw/zinc/07/58/71/178075871.db2.gz PEKALMPAAJZXMN-UHFFFAOYSA-N 0 0 239.265 2.899 50 0 BFAARN Cc1cc(F)ccc1-c1nc([C@H]2CCOC2)no1 ZINC000096141441 178080062 /nfs/dbraw/zinc/08/00/62/178080062.db2.gz OUABYBHJOHADTF-VIFPVBQESA-N 0 0 248.257 2.688 50 0 BFAARN Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1C ZINC000007751070 178088434 /nfs/dbraw/zinc/08/84/34/178088434.db2.gz SWODGBCPTQQURE-OIBJUYFYSA-N 0 0 207.248 2.729 50 0 BFAARN Cc1cc(F)ccc1NC(=O)c1ccnc(F)c1 ZINC000041038733 178089673 /nfs/dbraw/zinc/08/96/73/178089673.db2.gz KVBQILYPWIRWPX-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN Cc1cc(NC(=O)C2CCCCC2)sn1 ZINC000001006411 178125520 /nfs/dbraw/zinc/12/55/20/178125520.db2.gz HRRXBHLUHLJFIR-UHFFFAOYSA-N 0 0 224.329 2.970 50 0 BFAARN CCC(CC)C(=O)Nc1cccc(O)c1 ZINC000000363843 168341232 /nfs/dbraw/zinc/34/12/32/168341232.db2.gz MHDLYULJMGQZGO-UHFFFAOYSA-N 0 0 207.273 2.767 50 0 BFAARN CCC[C@@H]1CCN(N)[C@H]1c1cccc(OC)c1 ZINC000261361563 398207080 /nfs/dbraw/zinc/20/70/80/398207080.db2.gz WNHHXDQUSUDQGZ-BXUZGUMPSA-N 0 0 234.343 2.732 50 0 BFAARN CCC(CC)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000000449763 168341489 /nfs/dbraw/zinc/34/14/89/168341489.db2.gz HAAZZZDBSZOJQX-UHFFFAOYSA-N 0 0 249.310 2.848 50 0 BFAARN Cc1cc(NC(=O)Nc2ccc(O)cc2)ccn1 ZINC000186630841 178142750 /nfs/dbraw/zinc/14/27/50/178142750.db2.gz PBKKXNXUADJBEA-UHFFFAOYSA-N 0 0 243.266 2.740 50 0 BFAARN Cc1cc(NC(=O)c2c(F)cccc2F)ccn1 ZINC000079001757 178148712 /nfs/dbraw/zinc/14/87/12/178148712.db2.gz QXIVQIAIBAPIID-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)no1 ZINC000000476767 178149193 /nfs/dbraw/zinc/14/91/93/178149193.db2.gz PSRQPFSQPUKINL-NEPJUHHUSA-N 0 0 242.278 2.725 50 0 BFAARN Cc1cc(NC(=O)c2ccccc2Cl)n(C)n1 ZINC000000165080 178151177 /nfs/dbraw/zinc/15/11/77/178151177.db2.gz XVFATBUWZUYFCL-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN Cc1cc(NC(=O)c2ccccc2C)no1 ZINC000000369261 178151686 /nfs/dbraw/zinc/15/16/86/178151686.db2.gz PBFHGZGRUXKWJJ-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN Cc1cc(NCC(C)C)ccc1C(=O)N(C)C ZINC000096453634 178156064 /nfs/dbraw/zinc/15/60/64/178156064.db2.gz XUGUZNJLEIIPBM-UHFFFAOYSA-N 0 0 234.343 2.765 50 0 BFAARN CCC(CC)CN(CC)C(=O)c1cc(C)no1 ZINC000040523685 168349021 /nfs/dbraw/zinc/34/90/21/168349021.db2.gz QJAXUEBFGJYBIX-UHFFFAOYSA-N 0 0 238.331 2.881 50 0 BFAARN CC/C=C\C(=O)O[C@@H](C)C(=O)Nc1ccccc1 ZINC000096871546 398224299 /nfs/dbraw/zinc/22/42/99/398224299.db2.gz RHYAVEIZPBVVQZ-FGUAACIASA-N 0 0 247.294 2.523 50 0 BFAARN Cc1cc(O)c(NC(=O)c2ccco2)cc1C ZINC000000451010 178196760 /nfs/dbraw/zinc/19/67/60/178196760.db2.gz TYLKKIDXIOTCFK-UHFFFAOYSA-N 0 0 231.251 2.854 50 0 BFAARN Cc1cc(=O)n(-c2ccccc2Cl)[nH]1 ZINC000101140076 178200599 /nfs/dbraw/zinc/20/05/99/178200599.db2.gz AOJZHOSAFRXPQQ-UHFFFAOYSA-N 0 0 208.648 2.540 50 0 BFAARN Cc1cc(=O)n(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000100782393 178201232 /nfs/dbraw/zinc/20/12/32/178201232.db2.gz IMRSZPUONDXNAB-UHFFFAOYSA-N 0 0 242.200 2.905 50 0 BFAARN Cc1cc(OC(F)(F)F)c(F)cc1N ZINC000098211543 178208531 /nfs/dbraw/zinc/20/85/31/178208531.db2.gz VNXZPCMKLJEVTP-UHFFFAOYSA-N 0 0 209.142 2.615 50 0 BFAARN Cc1cc(O[C@@H](C)C(=O)N(C)C)ccc1Cl ZINC000061125827 178213280 /nfs/dbraw/zinc/21/32/80/178213280.db2.gz JFYRCVLCSBMANX-VIFPVBQESA-N 0 0 241.718 2.504 50 0 BFAARN Cc1cc(CSc2cc(C)nc(C)n2)no1 ZINC000040081858 178218635 /nfs/dbraw/zinc/21/86/35/178218635.db2.gz AXKNNYUHBFRFDZ-UHFFFAOYSA-N 0 0 235.312 2.682 50 0 BFAARN Cc1cc(SCc2ccccc2C)[nH]c(=O)n1 ZINC000004314708 178218866 /nfs/dbraw/zinc/21/88/66/178218866.db2.gz ZULRNFAMVBQATB-UHFFFAOYSA-N 0 0 246.335 2.679 50 0 BFAARN Cc1cc([C@@H](C)NC(=O)C2CC2)c(C)s1 ZINC000036393791 178220831 /nfs/dbraw/zinc/22/08/31/178220831.db2.gz WYGURUUZGKJLNH-MRVPVSSYSA-N 0 0 223.341 2.952 50 0 BFAARN Cc1cc([C@@H]2CCCN2C(=O)C(C)(C)C)on1 ZINC000021718569 178241684 /nfs/dbraw/zinc/24/16/84/178241684.db2.gz QEQUUYYQXCPDQK-JTQLQIEISA-N 0 0 236.315 2.693 50 0 BFAARN CC(C)(C)CCNc1cnn(-c2ncccn2)c1 ZINC000170603110 361788082 /nfs/dbraw/zinc/78/80/82/361788082.db2.gz SBXHOOKZLVZQII-UHFFFAOYSA-N 0 0 245.330 2.510 50 0 BFAARN Cc1ccc(F)c(NC(=S)NC2CC2)c1 ZINC000007526548 361814874 /nfs/dbraw/zinc/81/48/74/361814874.db2.gz FHGJYAMBBGOTOD-UHFFFAOYSA-N 0 0 224.304 2.583 50 0 BFAARN Cc1cc([C@H]2CCCN2C(=O)C2CCCC2)no1 ZINC000044633342 178265130 /nfs/dbraw/zinc/26/51/30/178265130.db2.gz URKZETNUQLEQPP-CYBMUJFWSA-N 0 0 248.326 2.837 50 0 BFAARN CC(C)(C)OC(=O)Nc1ccc(N)c(F)c1 ZINC000076855543 398248718 /nfs/dbraw/zinc/24/87/18/398248718.db2.gz ADNHDGQFYNVNQZ-UHFFFAOYSA-N 0 0 226.251 2.755 50 0 BFAARN Cc1cc2nc(Cl)c3ccccc3n2n1 ZINC000004218774 178301890 /nfs/dbraw/zinc/30/18/90/178301890.db2.gz QIFCCQKLBWWJTJ-UHFFFAOYSA-N 0 0 217.659 2.844 50 0 BFAARN Cc1cc2ncn(C(=O)c3ccco3)c2cc1C ZINC000000083185 178304901 /nfs/dbraw/zinc/30/49/01/178304901.db2.gz IEFASWXQLYDTRH-UHFFFAOYSA-N 0 0 240.262 2.935 50 0 BFAARN Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)C2=O ZINC000004029772 178293952 /nfs/dbraw/zinc/29/39/52/178293952.db2.gz OBHVGYORQQHBKS-SECBINFHSA-N 0 0 243.306 2.810 50 0 biogenic BFAARN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)C2=O ZINC000001810625 178294462 /nfs/dbraw/zinc/29/44/62/178294462.db2.gz OBHVGYORQQHBKS-VIFPVBQESA-N 0 0 243.306 2.810 50 0 biogenic BFAARN Cc1cc2cc(Br)ccc2c(=O)[nH]1 ZINC000098181463 178294939 /nfs/dbraw/zinc/29/49/39/178294939.db2.gz FHJSEWHWEJNWAY-UHFFFAOYSA-N 0 0 238.084 2.599 50 0 BFAARN Cc1ccc(-c2cn3cccnc3n2)cc1 ZINC000000136440 178327426 /nfs/dbraw/zinc/32/74/26/178327426.db2.gz FXPRTYODRQWLLM-UHFFFAOYSA-N 0 0 209.252 2.705 50 0 BFAARN Cc1ccc(-c2cn3ccccc3n2)cc1N ZINC000206578353 178327981 /nfs/dbraw/zinc/32/79/81/178327981.db2.gz IYAYRINPFDQCMA-UHFFFAOYSA-N 0 0 223.279 2.892 50 0 BFAARN Cc1ccc(C2N=NC(=S)N2C)cc1Cl ZINC000005730615 178340947 /nfs/dbraw/zinc/34/09/47/178340947.db2.gz SSFULKQKWCUWBI-UHFFFAOYSA-N 0 0 239.731 2.733 50 0 BFAARN Cc1ccc(-n2nc(C(C)C)cc2N)cc1 ZINC000037295071 178348058 /nfs/dbraw/zinc/34/80/58/178348058.db2.gz POVNIOLRQWADGS-UHFFFAOYSA-N 0 0 215.300 2.886 50 0 BFAARN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1C=O ZINC000026509830 178348122 /nfs/dbraw/zinc/34/81/22/178348122.db2.gz JXHCHQJFYUQBSQ-UHFFFAOYSA-N 0 0 228.295 2.918 50 0 BFAARN Cc1nn(-c2ccc(C)cc2)c(Cl)c1C=O ZINC000000106374 178348821 /nfs/dbraw/zinc/34/88/21/178348821.db2.gz KQWYKJSWCFJJFS-UHFFFAOYSA-N 0 0 234.686 2.955 50 0 BFAARN Cc1ccc(-c2cnc3cccnn32)cc1F ZINC000061905400 178328885 /nfs/dbraw/zinc/32/88/85/178328885.db2.gz YUXDAGWGMUWTDS-UHFFFAOYSA-N 0 0 227.242 2.844 50 0 BFAARN Cc1ccc(-c2cnnc(Cl)n2)cc1 ZINC000082532499 178328959 /nfs/dbraw/zinc/32/89/59/178328959.db2.gz VPGACEUEVMQOTK-UHFFFAOYSA-N 0 0 205.648 2.500 50 0 BFAARN Cc1ccc(-c2nc(-c3ccccn3)n[nH]2)cc1 ZINC000008048412 178331121 /nfs/dbraw/zinc/33/11/21/178331121.db2.gz JDACILDSJSVTRM-UHFFFAOYSA-N 0 0 236.278 2.842 50 0 BFAARN Cc1ccc(-c2n[nH]c(=O)c3ccccc32)cc1 ZINC000012176704 178331659 /nfs/dbraw/zinc/33/16/59/178331659.db2.gz QBGWUKDMIGJTDU-UHFFFAOYSA-N 0 0 236.274 2.899 50 0 BFAARN C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccco1 ZINC000025260709 538947980 /nfs/dbraw/zinc/94/79/80/538947980.db2.gz CJUPUXDQSVWOJO-QWRGUYRKSA-N 0 0 219.284 2.813 50 0 BFAARN Cc1ccc(/C=C\C(=O)NCc2cccs2)o1 ZINC000033467971 178357044 /nfs/dbraw/zinc/35/70/44/178357044.db2.gz QCQDJZKFYBCOKK-SREVYHEPSA-N 0 0 247.319 2.979 50 0 BFAARN Cc1cc(C)n(CC(=O)c2ccc(C)cc2)n1 ZINC000005380504 178375342 /nfs/dbraw/zinc/37/53/42/178375342.db2.gz XONVRYKPDFKWGG-UHFFFAOYSA-N 0 0 228.295 2.691 50 0 BFAARN Cc1ccc(C(=O)N(C)Cc2ccccc2)cn1 ZINC000032901350 178377582 /nfs/dbraw/zinc/37/75/82/178377582.db2.gz DBOQFZWMPIMDIF-UHFFFAOYSA-N 0 0 240.306 2.662 50 0 BFAARN Cc1ccc(C(=O)N(C)Cc2ccsc2)cn1 ZINC000040489369 178379477 /nfs/dbraw/zinc/37/94/77/178379477.db2.gz LQDDBZUYXSGJEP-UHFFFAOYSA-N 0 0 246.335 2.724 50 0 BFAARN C[C@H](NC(=O)C1CCC1)c1cccc(F)c1 ZINC000032983562 538951319 /nfs/dbraw/zinc/95/13/19/538951319.db2.gz DZZNHPJJKZHHTF-VIFPVBQESA-N 0 0 221.275 2.803 50 0 BFAARN Cc1ccc(C(=O)N2CCCC2)cc1C ZINC000000288418 178386096 /nfs/dbraw/zinc/38/60/96/178386096.db2.gz RCMCDYXVKYLVRJ-UHFFFAOYSA-N 0 0 203.285 2.539 50 0 BFAARN Cc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2C)c(C)c1 ZINC000032748069 538950492 /nfs/dbraw/zinc/95/04/92/538950492.db2.gz ARDGEESIKJTUTN-GXTWGEPZSA-N 0 0 231.339 2.918 50 0 BFAARN Cc1ccc(C(=O)COCC(F)(F)F)cc1 ZINC000036379870 178373308 /nfs/dbraw/zinc/37/33/08/178373308.db2.gz XSLSBQDVDCMZKB-UHFFFAOYSA-N 0 0 232.201 2.757 50 0 BFAARN CC[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000000075760 342672990 /nfs/dbraw/zinc/67/29/90/342672990.db2.gz YVDLPBBDWKACMC-MRVPVSSYSA-N 0 0 211.692 2.868 50 0 BFAARN Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000000080710 342673275 /nfs/dbraw/zinc/67/32/75/342673275.db2.gz OVZZSSYVRJEJQF-UHFFFAOYSA-N 0 0 219.284 2.758 50 0 BFAARN CC(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000000093306 342674040 /nfs/dbraw/zinc/67/40/40/342674040.db2.gz YAZOMBZNOOXEMG-UHFFFAOYSA-N 0 0 238.596 2.712 50 0 BFAARN O=C(Sc1ccccc1)c1ccno1 ZINC000000122110 342675432 /nfs/dbraw/zinc/67/54/32/342675432.db2.gz CKQHEUOSMSRBNM-UHFFFAOYSA-N 0 0 205.238 2.607 50 0 BFAARN O=C(OCc1ccco1)c1ccccc1 ZINC000000155277 342677728 /nfs/dbraw/zinc/67/77/28/342677728.db2.gz OYUZXJBNSJHTRF-UHFFFAOYSA-N 0 0 202.209 2.637 50 0 BFAARN COC(=O)c1sc2cccc(Cl)c2c1N ZINC000000164187 342678765 /nfs/dbraw/zinc/67/87/65/342678765.db2.gz POFRZYJVEIUDHS-UHFFFAOYSA-N 0 0 241.699 2.924 50 0 BFAARN CC(C)c1ccc([C@@H](O)c2nccn2C)cc1 ZINC000000170007 342678887 /nfs/dbraw/zinc/67/88/87/342678887.db2.gz KTFZKPOSQZUFQB-CYBMUJFWSA-N 0 0 230.311 2.625 50 0 BFAARN Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3O ZINC000000178915 342679354 /nfs/dbraw/zinc/67/93/54/342679354.db2.gz YYBPWZOWPCHCIR-LBPRGKRZSA-N 0 0 201.269 2.846 50 0 BFAARN CC(C)c1ccc(C(C)C)c(S(N)(=O)=O)c1 ZINC000000190540 342679880 /nfs/dbraw/zinc/67/98/80/342679880.db2.gz QRCQQTSZLNSXOP-UHFFFAOYSA-N 0 0 241.356 2.581 50 0 BFAARN CC[C@@H](C)NC(=O)c1cc(C)ccc1C ZINC000000514727 342689164 /nfs/dbraw/zinc/68/91/64/342689164.db2.gz DVDUWQXQKKZIAS-LLVKDONJSA-N 0 0 205.301 2.832 50 0 BFAARN Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000000225956 342680600 /nfs/dbraw/zinc/68/06/00/342680600.db2.gz QHWDUJPWCGEBTH-UHFFFAOYSA-N 0 0 212.252 2.521 50 0 BFAARN Nc1cc(N)cc(-c2nc3ccccc3o2)c1 ZINC000000244919 342681136 /nfs/dbraw/zinc/68/11/36/342681136.db2.gz VEXMZKUPOWVZOA-UHFFFAOYSA-N 0 0 225.251 2.659 50 0 BFAARN c1coc(CNc2ccc3c(c2)OCO3)c1 ZINC000000279927 342682153 /nfs/dbraw/zinc/68/21/53/342682153.db2.gz LEFBIPRUKQBNJF-UHFFFAOYSA-N 0 0 217.224 2.620 50 0 BFAARN Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000000276190 342682179 /nfs/dbraw/zinc/68/21/79/342682179.db2.gz ULKFNJBNISYXTB-JTQLQIEISA-N 0 0 230.336 2.998 50 0 aggregator BFAARN Cc1csc(NC(=O)c2cccc(F)c2)n1 ZINC000000290720 342682364 /nfs/dbraw/zinc/68/23/64/342682364.db2.gz FTXNGCDNFIQNFC-UHFFFAOYSA-N 0 0 236.271 2.843 50 0 BFAARN CC[C@@H](C)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000000303631 342682841 /nfs/dbraw/zinc/68/28/41/342682841.db2.gz CJBVXYSKEHHGQU-SSDOTTSWSA-N 0 0 241.360 2.820 50 0 BFAARN O=C(CCCc1ccccc1)N1CCCC1 ZINC000000304031 342682893 /nfs/dbraw/zinc/68/28/93/342682893.db2.gz ZFDOVNFQBWOVDN-UHFFFAOYSA-N 0 0 217.312 2.632 50 0 BFAARN Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC000000314078 342683025 /nfs/dbraw/zinc/68/30/25/342683025.db2.gz ZACIGHHWMWRYSZ-UHFFFAOYSA-N 0 0 215.281 2.874 50 0 BFAARN CCOc1ccc(/C=C/C(=O)NC(C)C)cc1 ZINC000000315047 342683156 /nfs/dbraw/zinc/68/31/56/342683156.db2.gz BELXLMHGMWBWRO-JXMROGBWSA-N 0 0 233.311 2.623 50 0 BFAARN Cc1cc(Br)cc(C)c1O ZINC000000389687 342685868 /nfs/dbraw/zinc/68/58/68/342685868.db2.gz ZLVFYUORUHNMBO-UHFFFAOYSA-N 0 0 201.063 2.772 50 0 BFAARN CC(=O)Nc1cccc2ccc(O)cc21 ZINC000000394165 342685992 /nfs/dbraw/zinc/68/59/92/342685992.db2.gz ALNWQAFPXMGLTJ-UHFFFAOYSA-N 0 0 201.225 2.504 50 0 BFAARN CC[C@H](O)c1ccc(Br)cc1 ZINC000000394599 342686115 /nfs/dbraw/zinc/68/61/15/342686115.db2.gz QLMFTKHAIDWIDC-VIFPVBQESA-N 0 0 215.090 2.893 50 0 BFAARN Clc1ccccc1I ZINC000000404796 342686788 /nfs/dbraw/zinc/68/67/88/342686788.db2.gz MPEOPBCQHNWNFB-UHFFFAOYSA-N 0 0 238.455 2.945 50 0 BFAARN CC(C)(C)C(=O)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000000407529 342686946 /nfs/dbraw/zinc/68/69/46/342686946.db2.gz RCYGSFKQQKHMBE-LLVKDONJSA-N 0 0 247.294 2.753 50 0 BFAARN CCn1ncc2cc3ccc(C)cc3nc21 ZINC000000405325 342686973 /nfs/dbraw/zinc/68/69/73/342686973.db2.gz ZDBZGXFZSACIMT-UHFFFAOYSA-N 0 0 211.268 2.913 50 0 BFAARN Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)CCC2 ZINC000000427708 342687492 /nfs/dbraw/zinc/68/74/92/342687492.db2.gz KGTQFSRHGCYKDK-UHFFFAOYSA-N 0 0 249.310 2.655 50 0 BFAARN Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000000446715 342687794 /nfs/dbraw/zinc/68/77/94/342687794.db2.gz RYXSOPRSCTXCTD-UHFFFAOYSA-N 0 0 215.281 2.645 50 0 BFAARN Cc1ccc(CC(=O)Nc2ccccn2)cc1 ZINC000000463478 342688142 /nfs/dbraw/zinc/68/81/42/342688142.db2.gz UJNATFHOFBPSAX-UHFFFAOYSA-N 0 0 226.279 2.571 50 0 BFAARN CC(C)(C(=O)c1cccnc1)c1cccnc1 ZINC000000001728 342669466 /nfs/dbraw/zinc/66/94/66/342669466.db2.gz FJLBFSROUSIWMA-UHFFFAOYSA-N 0 0 226.279 2.637 50 0 fda BFAARN Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000000006481 342669770 /nfs/dbraw/zinc/66/97/70/342669770.db2.gz FTALBRSUTCGOEG-UHFFFAOYSA-N 0 0 234.202 2.777 50 0 fda BFAARN Cc1ccc(NC(=O)c2cccnc2)cc1C ZINC000000029317 342669961 /nfs/dbraw/zinc/66/99/61/342669961.db2.gz MPWUJYHWSMZLRJ-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN CC(C)(C)NC(=O)c1ccc(Cl)cc1 ZINC000000493304 342688815 /nfs/dbraw/zinc/68/88/15/342688815.db2.gz XOEWMCMXPCWIDY-UHFFFAOYSA-N 0 0 211.692 2.868 50 0 BFAARN CCOc1ccc(C(=O)Nc2cc(C)on2)cc1 ZINC000000031636 342670317 /nfs/dbraw/zinc/67/03/17/342670317.db2.gz CKONODUUMMUNGA-UHFFFAOYSA-N 0 0 246.266 2.634 50 0 BFAARN CC[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000000030726 342670336 /nfs/dbraw/zinc/67/03/36/342670336.db2.gz KXMWLEIYHAUXFA-LLVKDONJSA-N 0 0 205.301 2.657 50 0 BFAARN CCCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000000038436 342670615 /nfs/dbraw/zinc/67/06/15/342670615.db2.gz XBMADEYWGIHEIH-UHFFFAOYSA-N 0 0 235.283 2.602 50 0 BFAARN O=C1Cc2ccccc2N1c1ccccc1 ZINC000000041212 342670924 /nfs/dbraw/zinc/67/09/24/342670924.db2.gz OWPNVXATCSXTBK-UHFFFAOYSA-N 0 0 209.248 2.907 50 0 BFAARN Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000000049151 342671297 /nfs/dbraw/zinc/67/12/97/342671297.db2.gz PXWLVJLKJGVOKE-UHFFFAOYSA-N 0 0 230.311 2.608 50 0 world BFAARN CCc1c(C)c2ccc(OC)c(C)c2oc1=O ZINC000000051961 342671500 /nfs/dbraw/zinc/67/15/00/342671500.db2.gz LKASKHWGVOLPRK-UHFFFAOYSA-N 0 0 232.279 2.981 50 0 biogenic BFAARN CN(C)c1ccc([C@@H](O)c2cccs2)cc1 ZINC000000054669 342671664 /nfs/dbraw/zinc/67/16/64/342671664.db2.gz IHKZCVPNQIENBH-CYBMUJFWSA-N 0 0 233.336 2.896 50 0 BFAARN Cc1occc1C(=O)NCc1ccccc1 ZINC000000060609 342672107 /nfs/dbraw/zinc/67/21/07/342672107.db2.gz IMSLNUIYIGDJJZ-UHFFFAOYSA-N 0 0 215.252 2.518 50 0 BFAARN O=C(c1ccco1)c1c[nH]c2ccccc21 ZINC000000566973 342690397 /nfs/dbraw/zinc/69/03/97/342690397.db2.gz ZGNXEAXRPSISJF-UHFFFAOYSA-N 0 0 211.220 2.992 50 0 in-vitro BFAARN CC(C)(C)C(=O)Nc1ccc(N)cc1Cl ZINC000000569965 342690403 /nfs/dbraw/zinc/69/04/03/342690403.db2.gz UVAVPWJVSUUELJ-UHFFFAOYSA-N 0 0 226.707 2.907 50 0 BFAARN CCCC(=O)Nc1ccc(N)cc1Cl ZINC000000569985 342690422 /nfs/dbraw/zinc/69/04/22/342690422.db2.gz KHTZUSJKQAGWFE-UHFFFAOYSA-N 0 0 212.680 2.661 50 0 BFAARN CCN(CC)C(=O)/C=C/c1ccc(F)cc1 ZINC000000586208 342690712 /nfs/dbraw/zinc/69/07/12/342690712.db2.gz VFORABASALCVBX-JXMROGBWSA-N 0 0 221.275 2.707 50 0 BFAARN CC[C@@H](C)NC(=O)COc1c(C)cccc1C ZINC000000612372 342691044 /nfs/dbraw/zinc/69/10/44/342691044.db2.gz CTGLTPMLYNVPCN-GFCCVEGCSA-N 0 0 235.327 2.597 50 0 BFAARN Cc1cccc(NC(=S)NC(=O)C2CC2)c1C ZINC000001003759 342695668 /nfs/dbraw/zinc/69/56/68/342695668.db2.gz CQSAPDOGEUFYNB-UHFFFAOYSA-N 0 0 248.351 2.526 50 0 BFAARN Cc1ccc2ccccc2c1NS(C)(=O)=O ZINC000001396301 342699776 /nfs/dbraw/zinc/69/97/76/342699776.db2.gz QXVXSZRHFDEENE-UHFFFAOYSA-N 0 0 235.308 2.520 50 0 BFAARN CC(C)CN(CC(C)C)C(=O)c1ccncc1 ZINC000001456930 342701542 /nfs/dbraw/zinc/70/15/42/342701542.db2.gz RNQRHZMGFCEUGG-UHFFFAOYSA-N 0 0 234.343 2.836 50 0 BFAARN Cn1c(-c2ccccc2)nc2ccccc2c1=O ZINC000001566383 342703411 /nfs/dbraw/zinc/70/34/11/342703411.db2.gz FPQXJSZKSFDUFR-UHFFFAOYSA-N 0 0 236.274 2.601 50 0 BFAARN COC(CCCCCCC(OC)OC)OC ZINC000001693234 342709592 /nfs/dbraw/zinc/70/95/92/342709592.db2.gz TXGHOSDIGLWWFE-UHFFFAOYSA-N 0 0 234.336 2.565 50 0 BFAARN CCCCC(=O)CCCCC(=O)OCC ZINC000002379050 342719437 /nfs/dbraw/zinc/71/94/37/342719437.db2.gz ABYZTYKKLSUMLT-UHFFFAOYSA-N 0 0 214.305 2.869 50 0 BFAARN O=C(CC[NH+]1CCCCC1)c1cccs1 ZINC000001724533 342711326 /nfs/dbraw/zinc/71/13/26/342711326.db2.gz DXGZIROEOMANMC-UHFFFAOYSA-N 0 0 223.341 2.807 50 0 BFAARN CC(C)(C)OC(=O)Nc1cccc(O)c1 ZINC000001756387 342712276 /nfs/dbraw/zinc/71/22/76/342712276.db2.gz HJQNVUQTARSZDK-UHFFFAOYSA-N 0 0 209.245 2.739 50 0 BFAARN CCC[C@@H](NC(=O)NCCF)c1cccs1 ZINC000584901658 342714014 /nfs/dbraw/zinc/71/40/14/342714014.db2.gz WTNUAVZFQPISKO-SECBINFHSA-N 0 0 244.335 2.858 50 0 BFAARN Nc1nc(Cl)nc2cc(Cl)ccc12 ZINC000002026595 342714628 /nfs/dbraw/zinc/71/46/28/342714628.db2.gz MRSMJCRTQBMITN-UHFFFAOYSA-N 0 0 214.055 2.519 50 0 BFAARN CCCCCC[C@@H]1N=C(C)O[C@H]1C(=O)OCC ZINC000002077681 342715783 /nfs/dbraw/zinc/71/57/83/342715783.db2.gz YTAGBHAZHZJPHG-NWDGAFQWSA-N 0 0 241.331 2.706 50 0 BFAARN Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000002388752 342719781 /nfs/dbraw/zinc/71/97/81/342719781.db2.gz ZKDGSECMKLUWRL-UHFFFAOYSA-N 0 0 242.109 2.820 50 0 BFAARN CCCCSc1n[nH]c(=S)c2[nH]cnc21 ZINC000002125240 342715949 /nfs/dbraw/zinc/71/59/49/342715949.db2.gz VNMKMXDHTCWHMC-UHFFFAOYSA-N 0 0 240.357 2.534 50 0 BFAARN CCCCCC(=O)Nc1nnc(CC)s1 ZINC000002176673 342716657 /nfs/dbraw/zinc/71/66/57/342716657.db2.gz FVBMUEBNYGIITE-UHFFFAOYSA-N 0 0 227.333 2.619 50 0 BFAARN O=C(c1cc2ccccc2oc1=O)C(F)(F)F ZINC000002243169 342717467 /nfs/dbraw/zinc/71/74/67/342717467.db2.gz IYIZRPNLJMTSTB-UHFFFAOYSA-N 0 0 242.152 2.538 50 0 BFAARN COC(=O)CCCc1cn(C)c2ccccc12 ZINC000004053880 342741338 /nfs/dbraw/zinc/74/13/38/342741338.db2.gz KVGWWDKBQUXCQA-UHFFFAOYSA-N 0 0 231.295 2.674 50 0 BFAARN Cc1csc(NC(=O)c2cc(C)ccc2O)n1 ZINC000010554324 342743080 /nfs/dbraw/zinc/74/30/80/342743080.db2.gz VUDFVZIDPVCRTO-UHFFFAOYSA-N 0 0 248.307 2.718 50 0 BFAARN Clc1cccc(Cl)c1OC[C@@H]1CO1 ZINC000004200178 342743617 /nfs/dbraw/zinc/74/36/17/342743617.db2.gz VOYMDUMUZXIMNN-LURJTMIESA-N 0 0 219.067 2.771 50 0 BFAARN Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000004219185 342744572 /nfs/dbraw/zinc/74/45/72/342744572.db2.gz RBBUZPGMZQSXCP-UHFFFAOYSA-N 0 0 242.109 2.820 50 0 BFAARN CC(C)C(=O)NCC1CC(c2ccccc2)C1 ZINC000253392564 398279239 /nfs/dbraw/zinc/27/92/39/398279239.db2.gz DCEFPYQKIVJXEO-UHFFFAOYSA-N 0 0 231.339 2.952 50 0 BFAARN Fc1cc2ncc(N3CCCC3)nc2cc1F ZINC000074278363 344001905 /nfs/dbraw/zinc/00/19/05/344001905.db2.gz MTJJQGYNNMMLLX-UHFFFAOYSA-N 0 0 235.237 2.508 50 0 BFAARN Cc1cc(C)n(C(=O)/C=C/c2ccccc2)n1 ZINC000004322617 342746722 /nfs/dbraw/zinc/74/67/22/342746722.db2.gz PLXULMXYKHEUIH-CMDGGOBGSA-N 0 0 226.279 2.854 50 0 BFAARN Fc1ccc2[nH]c(C(F)(F)F)nc2c1F ZINC000004329311 342746772 /nfs/dbraw/zinc/74/67/72/342746772.db2.gz CSQLDLCQJGOFEY-UHFFFAOYSA-N 0 0 222.116 2.860 50 0 BFAARN CC(C)(C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000004345621 342746952 /nfs/dbraw/zinc/74/69/52/342746952.db2.gz LQQLGGRNBMPQCE-UHFFFAOYSA-N 0 0 249.310 2.833 50 0 BFAARN Cc1ccc2[nH]cc(CCNC(=O)C(C)C)c2c1 ZINC000002438607 342720768 /nfs/dbraw/zinc/72/07/68/342720768.db2.gz MAZJSMOVKHCDBW-UHFFFAOYSA-N 0 0 244.338 2.791 50 0 BFAARN Cc1scc(-c2n[nH]c(=S)n2C)c1C ZINC000002569137 342724761 /nfs/dbraw/zinc/72/47/61/342724761.db2.gz YEQRMXBSHBPNAE-UHFFFAOYSA-N 0 0 225.342 2.823 50 0 BFAARN CCOc1cccc(I)c1 ZINC000002568104 342724896 /nfs/dbraw/zinc/72/48/96/342724896.db2.gz UIGQMEPFSWIPHM-UHFFFAOYSA-N 0 0 248.063 2.690 50 0 BFAARN Nc1ccc2ncsc2c1Br ZINC000002580907 342725461 /nfs/dbraw/zinc/72/54/61/342725461.db2.gz NXVRHVCMVAAPCY-UHFFFAOYSA-N 0 0 229.102 2.641 50 0 BFAARN Nc1ccn(Cc2cccc(C(F)(F)F)c2)n1 ZINC000002578487 342725575 /nfs/dbraw/zinc/72/55/75/342725575.db2.gz ZSNWDVOWQIDLIM-UHFFFAOYSA-N 0 0 241.216 2.532 50 0 BFAARN Cc1ccc(C(=O)N[C@H](C)C2CC2)c(C)c1 ZINC000012906922 178429817 /nfs/dbraw/zinc/42/98/17/178429817.db2.gz DPOZHCWKMHTTBL-LLVKDONJSA-N 0 0 217.312 2.832 50 0 BFAARN CCCCN(CC)C(=O)c1cccc(OC)c1 ZINC000002743545 342726997 /nfs/dbraw/zinc/72/69/97/342726997.db2.gz QUODGDYDCWYDGI-UHFFFAOYSA-N 0 0 235.327 2.957 50 0 BFAARN Cc1occc1C(=O)NCc1ccc(F)cc1 ZINC000002757067 342727027 /nfs/dbraw/zinc/72/70/27/342727027.db2.gz JJIOTSOXXFBSDX-UHFFFAOYSA-N 0 0 233.242 2.657 50 0 BFAARN O=C1N/C(=C\c2ccccc2)c2ccccc21 ZINC000002826240 342727185 /nfs/dbraw/zinc/72/71/85/342727185.db2.gz ICCBGFWJTALFFU-UVTDQMKNSA-N 0 0 221.259 2.928 50 0 BFAARN O=Cc1ccccc1-c1ccncc1F ZINC000157500483 342735581 /nfs/dbraw/zinc/73/55/81/342735581.db2.gz KOGFJKQKSRXKTH-UHFFFAOYSA-N 0 0 201.200 2.700 50 0 BFAARN Nc1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000003882671 342738888 /nfs/dbraw/zinc/73/88/88/342738888.db2.gz RTUMKDLRVKWGAS-UHFFFAOYSA-N 0 0 237.262 2.986 50 0 BFAARN COc1c(C)cccc1C(=O)NCc1ccco1 ZINC000004841998 342753009 /nfs/dbraw/zinc/75/30/09/342753009.db2.gz DDJPBUWTPCPRJF-UHFFFAOYSA-N 0 0 245.278 2.527 50 0 BFAARN O=C([O-])c1ccc(C[NH2+]Cc2ccsc2)cc1 ZINC000004842639 342753104 /nfs/dbraw/zinc/75/31/04/342753104.db2.gz JHQXASBGCGEOFX-UHFFFAOYSA-N 0 0 247.319 2.736 50 0 BFAARN COC(=O)CCNc1ccc2ccccc2c1 ZINC000004840054 342753106 /nfs/dbraw/zinc/75/31/06/342753106.db2.gz IYJRJGVMXNFKHL-UHFFFAOYSA-N 0 0 229.279 2.815 50 0 BFAARN COc1cc(C[N@@H+]2CCC[C@H](C)C2)ccc1O ZINC000004989088 342755712 /nfs/dbraw/zinc/75/57/12/342755712.db2.gz GMBHVGBXIAAQIC-NSHDSACASA-N 0 0 235.327 2.633 50 0 BFAARN Nc1ccc2[nH]c(-c3ccc4[nH]cnc4c3)nc2c1 ZINC000004992701 342755912 /nfs/dbraw/zinc/75/59/12/342755912.db2.gz YHHKGFJFZFCHMW-UHFFFAOYSA-N 0 0 249.277 2.688 50 0 BFAARN CCCc1cc(=O)[nH]c(Nc2ccc(C)cc2)n1 ZINC000005012130 342756546 /nfs/dbraw/zinc/75/65/46/342756546.db2.gz SXLFESMNOGTMAM-UHFFFAOYSA-N 0 0 243.310 2.774 50 0 BFAARN CCc1cc2c(nc(C)nc2N(C)C)s1 ZINC000005017337 342756628 /nfs/dbraw/zinc/75/66/28/342756628.db2.gz QVPHHHRDQSSNDU-UHFFFAOYSA-N 0 0 221.329 2.628 50 0 BFAARN CC(C)(C)NC(=S)Nc1ccccc1 ZINC000005138107 342758837 /nfs/dbraw/zinc/75/88/37/342758837.db2.gz JHMCTNQTJNGVRX-UHFFFAOYSA-N 0 0 208.330 2.772 50 0 BFAARN CCC(CC)NC(=O)c1ccc(OC)c(C)c1 ZINC000072437384 168386343 /nfs/dbraw/zinc/38/63/43/168386343.db2.gz UXQDZTRJRPOGDP-UHFFFAOYSA-N 0 0 235.327 2.922 50 0 BFAARN CC(C)C(=O)N1c2cccc3cccc(c23)C1=O ZINC000005234868 342760809 /nfs/dbraw/zinc/76/08/09/342760809.db2.gz JVGCZMVZVZKSTI-UHFFFAOYSA-N 0 0 239.274 2.983 50 0 BFAARN Fc1ccc2c3nc(C4CCC4)nn3cnc2c1 ZINC000170614864 361877673 /nfs/dbraw/zinc/87/76/73/361877673.db2.gz FAYGIHSHNMLRSR-UHFFFAOYSA-N 0 0 242.257 2.684 50 0 BFAARN CSc1cc(SC)c(N)c(C)c1N ZINC000005419361 342763619 /nfs/dbraw/zinc/76/36/19/342763619.db2.gz TXDBDYPHJXUHEO-UHFFFAOYSA-N 0 0 214.359 2.603 50 0 BFAARN CCN(Cc1ccccc1)C(=O)c1ccco1 ZINC000005455286 342764202 /nfs/dbraw/zinc/76/42/02/342764202.db2.gz WLPQXUGTUMVQEC-UHFFFAOYSA-N 0 0 229.279 2.942 50 0 BFAARN CC(C)=CC(=O)N(Cc1cccnc1)C1CC1 ZINC000042604524 342778238 /nfs/dbraw/zinc/77/82/38/342778238.db2.gz KNMHKMFXYJOVSG-UHFFFAOYSA-N 0 0 230.311 2.539 50 0 BFAARN Cc1cc(=O)[nH]c(Nc2ccc(C)c(Cl)c2)n1 ZINC000005626014 342767539 /nfs/dbraw/zinc/76/75/39/342767539.db2.gz NCECTAHOPXYCNH-UHFFFAOYSA-N 0 0 249.701 2.784 50 0 BFAARN Cn1ccnc1SCc1cccc(F)c1 ZINC000005941965 342771830 /nfs/dbraw/zinc/77/18/30/342771830.db2.gz VCGIYVZIIKDKSQ-UHFFFAOYSA-N 0 0 222.288 2.852 50 0 BFAARN Nc1cccc(Br)c1Cl ZINC000006091652 342773599 /nfs/dbraw/zinc/77/35/99/342773599.db2.gz HKNLHCGTRMCOLV-UHFFFAOYSA-N 0 0 206.470 2.685 50 0 BFAARN c1cnn(C23CC4CC(CC(C4)C2)C3)c1 ZINC000006119175 342773767 /nfs/dbraw/zinc/77/37/67/342773767.db2.gz TWAYEKHIDSYYHV-UHFFFAOYSA-N 0 0 202.301 2.808 50 0 BFAARN CCCCS[C@H](C)C(=O)Nc1cc(C)[nH]n1 ZINC000071904776 342774851 /nfs/dbraw/zinc/77/48/51/342774851.db2.gz DXZIBWHSIXIWGU-SECBINFHSA-N 0 0 241.360 2.578 50 0 BFAARN CC(=O)N1[C@@H](c2ccc[nH]2)CC[C@H]1c1ccc[nH]1 ZINC000006293688 342775914 /nfs/dbraw/zinc/77/59/14/342775914.db2.gz FGFKZEQIPHTPSE-OKILXGFUSA-N 0 0 243.310 2.768 50 0 BFAARN CO[C@H](C)c1nc(-c2cnoc2C)cs1 ZINC000170618876 361886609 /nfs/dbraw/zinc/88/66/09/361886609.db2.gz MAMNYEJDSHKXEV-SSDOTTSWSA-N 0 0 224.285 2.814 50 0 BFAARN CCOc1cccc(C(=O)Nc2ccncc2)c1 ZINC000004750170 342751405 /nfs/dbraw/zinc/75/14/05/342751405.db2.gz XZMCVEFJVQOFSZ-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN CCc1ccc(C(=O)NCc2ccccn2)cc1 ZINC000004749817 342751546 /nfs/dbraw/zinc/75/15/46/342751546.db2.gz GZVONJQJKBYSJU-UHFFFAOYSA-N 0 0 240.306 2.574 50 0 BFAARN O=c1[nH]c2ccccc2n1C1CCCCC1 ZINC000008686170 342802091 /nfs/dbraw/zinc/80/20/91/342802091.db2.gz KQPGCWWXPPKEOL-UHFFFAOYSA-N 0 0 216.284 2.835 50 0 BFAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)C1CC1 ZINC000253471868 398286895 /nfs/dbraw/zinc/28/68/95/398286895.db2.gz GGQZSIIIBDZHCJ-SNVBAGLBSA-N 0 0 243.306 2.890 50 0 BFAARN Cc1ccc2c(c1)Oc1ncccc1C(=O)N2C ZINC000006522947 342778844 /nfs/dbraw/zinc/77/88/44/342778844.db2.gz TXTGKJLFUVMVAZ-UHFFFAOYSA-N 0 0 240.262 2.772 50 0 BFAARN CC(C)(C)C1CCC2(CC1)CC(=O)NC(=O)C2 ZINC000006615079 342780042 /nfs/dbraw/zinc/78/00/42/342780042.db2.gz OMZJCACXIHTCKN-UHFFFAOYSA-N 0 0 237.343 2.646 50 0 BFAARN CC(C)n1c(=S)[nH]nc1-c1ccco1 ZINC000006633954 342780114 /nfs/dbraw/zinc/78/01/14/342780114.db2.gz AXBDLAPZXGIMID-UHFFFAOYSA-N 0 0 209.274 2.782 50 0 BFAARN Nc1cccc(OCCOc2ccc(F)cc2)c1 ZINC000006678586 342780867 /nfs/dbraw/zinc/78/08/67/342780867.db2.gz OERGDFWTXIFCCQ-UHFFFAOYSA-N 0 0 247.269 2.866 50 0 BFAARN CC(=O)Nc1ccc(OCC(C)C)cc1 ZINC000006697099 342781115 /nfs/dbraw/zinc/78/11/15/342781115.db2.gz LXFXYIRUYUYMCE-UHFFFAOYSA-N 0 0 207.273 2.680 50 0 BFAARN Cc1ccc(NC(=O)c2c(Cl)cnn2C)cc1 ZINC000006699425 342781122 /nfs/dbraw/zinc/78/11/22/342781122.db2.gz KCKHWFZSWAMVKH-UHFFFAOYSA-N 0 0 249.701 2.634 50 0 BFAARN Cc1cc(C)n(C(=O)Cc2ccccc2C)n1 ZINC000006699660 342781171 /nfs/dbraw/zinc/78/11/71/342781171.db2.gz SDAZOHMVOJCTSC-UHFFFAOYSA-N 0 0 228.295 2.691 50 0 BFAARN CC/C=C/COC(=O)c1csc(C)n1 ZINC000170620481 361895517 /nfs/dbraw/zinc/89/55/17/361895517.db2.gz NQSOONNWUOWTAU-SNAWJCMRSA-N 0 0 211.286 2.575 50 0 BFAARN Cc1ccc(N2CCCCCC2)c(N)c1 ZINC000008702591 342802711 /nfs/dbraw/zinc/80/27/11/342802711.db2.gz GSLPCAGRAZIKRY-UHFFFAOYSA-N 0 0 204.317 2.958 50 0 BFAARN COC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000006763242 342782444 /nfs/dbraw/zinc/78/24/44/342782444.db2.gz VLOZEQCBXBDHME-LURJTMIESA-N 0 0 249.093 2.934 50 0 BFAARN CC(C)c1[nH]nc(N)c1-c1ccccc1 ZINC000008701435 342802741 /nfs/dbraw/zinc/80/27/41/342802741.db2.gz AWIPOSYTMOMIRL-UHFFFAOYSA-N 0 0 201.273 2.782 50 0 BFAARN CCCCC(=O)Nc1ccc(OC)cc1OC ZINC000004666231 342789080 /nfs/dbraw/zinc/78/90/80/342789080.db2.gz MCYDMPLTJNFJCF-UHFFFAOYSA-N 0 0 237.299 2.833 50 0 BFAARN CC[C@@H](Sc1ccc(Cl)cc1)C(N)=O ZINC000030864563 342789926 /nfs/dbraw/zinc/78/99/26/342789926.db2.gz ZCXOQPALMKVZTN-SECBINFHSA-N 0 0 229.732 2.696 50 0 BFAARN CC(C)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000007214804 342790096 /nfs/dbraw/zinc/79/00/96/342790096.db2.gz NXOHMGSLFISOFE-LBPRGKRZSA-N 0 0 233.311 2.673 50 0 BFAARN COC(=O)CCNc1cccc2ccccc21 ZINC000007499992 342791767 /nfs/dbraw/zinc/79/17/67/342791767.db2.gz CXNYTJOBIQYVJJ-UHFFFAOYSA-N 0 0 229.279 2.815 50 0 BFAARN Cc1cc(=O)c2ccc(Cl)c(C)c2[nH]1 ZINC000008717942 342803148 /nfs/dbraw/zinc/80/31/48/342803148.db2.gz LOJPYUFGOCWEHF-UHFFFAOYSA-N 0 0 207.660 2.798 50 0 BFAARN Cc1ccc(C(=O)Nc2ncc(C)s2)o1 ZINC000001055619 178439561 /nfs/dbraw/zinc/43/95/61/178439561.db2.gz SXCQYWUKVPPLGS-UHFFFAOYSA-N 0 0 222.269 2.605 50 0 BFAARN CCCn1cnc2c3ccccc3oc2c1=O ZINC000003007433 342797654 /nfs/dbraw/zinc/79/76/54/342797654.db2.gz FYCGJANXNXZCDC-UHFFFAOYSA-N 0 0 228.251 2.553 50 0 BFAARN C[C@@](O)(c1ccccc1)c1ccccc1N ZINC000032233004 342799175 /nfs/dbraw/zinc/79/91/75/342799175.db2.gz MNFIFVDJWVLIMQ-CQSZACIVSA-N 0 0 213.280 2.525 50 0 BFAARN Cc1ccc(C(=O)c2cc(F)cc(F)c2)nc1 ZINC000045028569 178445803 /nfs/dbraw/zinc/44/58/03/178445803.db2.gz FCRYEPOSUWLDLF-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1 ZINC000009439648 342815737 /nfs/dbraw/zinc/81/57/37/342815737.db2.gz HGMYBXXEFAWWSC-UHFFFAOYSA-N 0 0 236.274 2.899 50 0 BFAARN Cc1c2cc(F)ccc2oc1C(=O)N(C)C ZINC000009457023 342816424 /nfs/dbraw/zinc/81/64/24/342816424.db2.gz KCYBWLIJDOQDIP-UHFFFAOYSA-N 0 0 221.231 2.582 50 0 BFAARN Cc1ccc(C(=O)SC2=NCCS2)cc1 ZINC000000180672 178444821 /nfs/dbraw/zinc/44/48/21/178444821.db2.gz YUHPMCGZMGYTOH-UHFFFAOYSA-N 0 0 237.349 2.971 50 0 BFAARN Nc1ccc(Sc2ccncc2)cc1 ZINC000008764116 342804553 /nfs/dbraw/zinc/80/45/53/342804553.db2.gz DYOBZIUDPDIPKN-UHFFFAOYSA-N 0 0 202.282 2.815 50 0 BFAARN CCC(CC)Nc1ccn(CC(F)F)n1 ZINC000095991521 168395338 /nfs/dbraw/zinc/39/53/38/168395338.db2.gz YUYXTWUXCVSYAN-UHFFFAOYSA-N 0 0 217.263 2.749 50 0 BFAARN O=c1cc[nH]c2c(F)cc(C(F)(F)F)cc12 ZINC000072319647 398295082 /nfs/dbraw/zinc/29/50/82/398295082.db2.gz YQCQZKJDWDFKBC-UHFFFAOYSA-N 0 0 231.148 2.686 50 0 BFAARN CCN(C)C(=O)c1cc(-c2cccc(C)c2)on1 ZINC000022319160 344005251 /nfs/dbraw/zinc/00/52/51/344005251.db2.gz YFLZMQGUKGJVJY-UHFFFAOYSA-N 0 0 244.294 2.742 50 0 BFAARN CCc1ccc(CCC(=O)NC(C)C)cc1 ZINC000010370226 342835855 /nfs/dbraw/zinc/83/58/55/342835855.db2.gz MVVYUVWTACUMSA-UHFFFAOYSA-N 0 0 219.328 2.706 50 0 BFAARN CC(=O)Nc1cc(-n2cccc2)ccc1F ZINC000060347285 539014379 /nfs/dbraw/zinc/01/43/79/539014379.db2.gz VVBNECZEDSUOHQ-UHFFFAOYSA-N 0 0 218.231 2.575 50 0 BFAARN O=C1CCCc2[nH]nc(-c3ccccc3)c21 ZINC000012324002 342849241 /nfs/dbraw/zinc/84/92/41/342849241.db2.gz AIBOXMAFFRVADJ-UHFFFAOYSA-N 0 0 212.252 2.596 50 0 BFAARN Clc1cc(OCc2ccccc2)ncn1 ZINC000012359404 342849910 /nfs/dbraw/zinc/84/99/10/342849910.db2.gz KXDXFVQZZGSEBU-UHFFFAOYSA-N 0 0 220.659 2.709 50 0 BFAARN N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000012360157 342850007 /nfs/dbraw/zinc/85/00/07/342850007.db2.gz TZQBOSKCYLEGAX-SECBINFHSA-N 0 0 214.190 2.730 50 0 BFAARN C[C@H](NC(=O)Cc1ccccc1)C(C)(C)C ZINC000012381100 342850738 /nfs/dbraw/zinc/85/07/38/342850738.db2.gz OYTAYNCYRSCWOI-NSHDSACASA-N 0 0 219.328 2.780 50 0 BFAARN O=C1C[C@H](c2ccc(O)cc2)c2sccc2N1 ZINC000012429139 342852188 /nfs/dbraw/zinc/85/21/88/342852188.db2.gz LOWSSRUEFZLENM-SNVBAGLBSA-N 0 0 245.303 2.928 50 0 BFAARN Cc1ccc(Cc2cnc(N)s2)cc1F ZINC000012480500 342852581 /nfs/dbraw/zinc/85/25/81/342852581.db2.gz ZIQWUWHGNUWGBS-UHFFFAOYSA-N 0 0 222.288 2.764 50 0 BFAARN Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000012536954 342854023 /nfs/dbraw/zinc/85/40/23/342854023.db2.gz MPAXYIQTWKSSLZ-UHFFFAOYSA-N 0 0 236.278 2.721 50 0 BFAARN COC(=O)N[C@@H](C)c1cc(C)ccc1C ZINC000013320928 342865317 /nfs/dbraw/zinc/86/53/17/342865317.db2.gz HRJSIZLICYYFEB-JTQLQIEISA-N 0 0 207.273 2.720 50 0 BFAARN CCCc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000013331131 342865791 /nfs/dbraw/zinc/86/57/91/342865791.db2.gz ZCGIIKXSWBFCDF-AWEZNQCLSA-N 0 0 247.338 2.548 50 0 BFAARN O=C(c1cc2c(s1)CCCCC2)N1CCC1 ZINC000032731917 342871837 /nfs/dbraw/zinc/87/18/37/342871837.db2.gz QUDURAZCKOUTOQ-UHFFFAOYSA-N 0 0 235.352 2.863 50 0 BFAARN Cc1ccc(Cn2cc[nH]c2=S)cc1 ZINC000013776277 342872000 /nfs/dbraw/zinc/87/20/00/342872000.db2.gz RXOMFRZVVWAXBO-UHFFFAOYSA-N 0 0 204.298 2.902 50 0 BFAARN CC[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000032753731 342873372 /nfs/dbraw/zinc/87/33/72/342873372.db2.gz NSPMDWSEAOFECW-SECBINFHSA-N 0 0 248.326 2.938 50 0 BFAARN CN1C(=O)c2ccccc2N[C@H]1c1cccs1 ZINC000015249057 342893749 /nfs/dbraw/zinc/89/37/49/342893749.db2.gz IAXUVCUJUIHWNA-GFCCVEGCSA-N 0 0 244.319 2.944 50 0 BFAARN CN1C(=O)c2ccccc2N[C@@H]1c1ccsc1 ZINC000015249450 342893799 /nfs/dbraw/zinc/89/37/99/342893799.db2.gz JVHNITJWJCMVAY-LBPRGKRZSA-N 0 0 244.319 2.944 50 0 BFAARN C/C=C/C=C\C(=O)N1CCC[C@@H]1c1cccn1C ZINC000096406262 398317409 /nfs/dbraw/zinc/31/74/09/398317409.db2.gz SCIQQHYMHQQSET-HJMHHYCJSA-N 0 0 244.338 2.821 50 0 BFAARN CCCc1noc(-c2ccc(C)cc2)n1 ZINC000015658691 342898977 /nfs/dbraw/zinc/89/89/77/342898977.db2.gz SBKXHDAGINIVAN-UHFFFAOYSA-N 0 0 202.257 2.998 50 0 BFAARN CC(C)CNC(=O)N[C@@H]1CCc2ccccc21 ZINC000032843767 342882088 /nfs/dbraw/zinc/88/20/88/342882088.db2.gz BBNHWBNPGODARN-CYBMUJFWSA-N 0 0 232.327 2.629 50 0 BFAARN Nc1cc(F)ccc1OCc1ccccc1 ZINC000014629852 342882817 /nfs/dbraw/zinc/88/28/17/342882817.db2.gz NMRHRZIRARORAE-UHFFFAOYSA-N 0 0 217.243 2.987 50 0 BFAARN CC[C@@H](C)C(=O)N(Cc1ccccn1)C1CC1 ZINC000032904013 342899650 /nfs/dbraw/zinc/89/96/50/342899650.db2.gz DKVJXLNHWCCVMS-LLVKDONJSA-N 0 0 232.327 2.619 50 0 BFAARN Cc1ccc2c(c1)[C@@H](Cc1ccco1)C(=O)N2 ZINC000015017675 342890650 /nfs/dbraw/zinc/89/06/50/342890650.db2.gz PVNQAUTYFHMZJJ-GFCCVEGCSA-N 0 0 227.263 2.866 50 0 BFAARN CCCCCc1ncncc1Br ZINC000015021329 342890880 /nfs/dbraw/zinc/89/08/80/342890880.db2.gz BOKJNBADLRQINQ-UHFFFAOYSA-N 0 0 229.121 2.972 50 0 BFAARN CCSc1n[nH]c(-c2cccs2)n1 ZINC000016049058 342905225 /nfs/dbraw/zinc/90/52/25/342905225.db2.gz XSTVHGSCVUUJCJ-UHFFFAOYSA-N 0 0 211.315 2.645 50 0 BFAARN COc1cccc(Br)c1F ZINC000016158471 342907251 /nfs/dbraw/zinc/90/72/51/342907251.db2.gz USVPQAWBFVANTN-UHFFFAOYSA-N 0 0 205.026 2.597 50 0 BFAARN CC(C)CNC(=O)c1ccc(F)cc1Cl ZINC000016971195 342918215 /nfs/dbraw/zinc/91/82/15/342918215.db2.gz OPUVOPSDQHRBQJ-UHFFFAOYSA-N 0 0 229.682 2.865 50 0 BFAARN Cc1occc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000018006268 342930160 /nfs/dbraw/zinc/93/01/60/342930160.db2.gz JENVRFLBGVMGSO-AOOOYVTPSA-N 0 0 221.300 2.706 50 0 BFAARN CC[C@@H](C)Nc1c(N)c(=O)oc2ccccc21 ZINC000018061799 342931057 /nfs/dbraw/zinc/93/10/57/342931057.db2.gz CZSJMKVVNKVDAI-MRVPVSSYSA-N 0 0 232.283 2.586 50 0 BFAARN CCCc1nc(Cn2ccc(C)cc2=O)cs1 ZINC000071857498 398331177 /nfs/dbraw/zinc/33/11/77/398331177.db2.gz AYCBWVVRQDTCHE-UHFFFAOYSA-N 0 0 248.351 2.614 50 0 BFAARN Cc1[nH]c(=O)sc1CC(Cl)(Cl)Cl ZINC000000497253 346885968 /nfs/dbraw/zinc/88/59/68/346885968.db2.gz CWNBVLRGHUBVLF-UHFFFAOYSA-N 0 0 246.546 2.658 50 0 BFAARN Cc1ccc(C)c(C(=O)Nc2ccncc2)c1 ZINC000000514760 178466835 /nfs/dbraw/zinc/46/68/35/178466835.db2.gz IFKFBPCLCKZMAE-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN N[C@H](c1ccc(F)cc1)[C@H]([NH3+])c1ccc(F)cc1 ZINC000019363803 342946879 /nfs/dbraw/zinc/94/68/79/342946879.db2.gz DWKHQEHNAPMAGG-ZIAGYGMSSA-N 0 0 248.276 2.665 50 0 BFAARN Nc1ccccc1CN1CCc2ccccc21 ZINC000019400656 342947346 /nfs/dbraw/zinc/94/73/46/342947346.db2.gz CEWQIFHKJLVCAQ-UHFFFAOYSA-N 0 0 224.307 2.832 50 0 BFAARN Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000019258870 342944704 /nfs/dbraw/zinc/94/47/04/342944704.db2.gz BTYGVWLNBSALEF-UHFFFAOYSA-N 0 0 238.718 2.548 50 0 BFAARN CCSCC[C@@H](C)NC(=O)N1CC[C@H](C)C1 ZINC000084812070 398344207 /nfs/dbraw/zinc/34/42/07/398344207.db2.gz KTNAGOSFCMDXCH-WDEREUQCSA-N 0 0 244.404 2.570 50 0 BFAARN CCC(CC)c1nnc(NC(=O)C2CC2)s1 ZINC000020886173 168413726 /nfs/dbraw/zinc/41/37/26/168413726.db2.gz YHZVLUPINLMAGK-UHFFFAOYSA-N 0 0 239.344 2.790 50 0 BFAARN Nc1cc2ccccc2c(Br)n1 ZINC000019801085 342958303 /nfs/dbraw/zinc/95/83/03/342958303.db2.gz PSQUIUNIVDKHJK-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Cn1ccnc1Sc1ccc(Cl)cc1N ZINC000019845503 342959870 /nfs/dbraw/zinc/95/98/70/342959870.db2.gz WTYXISQJDIFDBJ-UHFFFAOYSA-N 0 0 239.731 2.807 50 0 BFAARN Nc1ccc(NC(=O)c2cccnc2)cc1Cl ZINC000019897692 342961544 /nfs/dbraw/zinc/96/15/44/342961544.db2.gz KNPXTGZVVKYFQV-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN Nc1nccc(-c2ccc3ccccc3c2)n1 ZINC000020153828 342972143 /nfs/dbraw/zinc/97/21/43/342972143.db2.gz RZDBPKYQNYGDPH-UHFFFAOYSA-N 0 0 221.263 2.879 50 0 BFAARN Nc1cc(NC(=O)c2cccs2)ccc1F ZINC000020157463 342972980 /nfs/dbraw/zinc/97/29/80/342972980.db2.gz GVFWVVLFQGXCNW-UHFFFAOYSA-N 0 0 236.271 2.722 50 0 BFAARN Nc1ccccc1C(=O)NC1CCCCCC1 ZINC000020192916 342975672 /nfs/dbraw/zinc/97/56/72/342975672.db2.gz JYRFNVVNWLSKQP-UHFFFAOYSA-N 0 0 232.327 2.721 50 0 BFAARN CC(=O)c1cnn(-c2ccc(F)cc2F)c1C ZINC000020216605 342977814 /nfs/dbraw/zinc/97/78/14/342977814.db2.gz ULUOCLZKDTYTJX-UHFFFAOYSA-N 0 0 236.221 2.662 50 0 BFAARN CNc1ccc(Br)cc1C ZINC000020042905 342967094 /nfs/dbraw/zinc/96/70/94/342967094.db2.gz VCZTYYHYOULJLT-UHFFFAOYSA-N 0 0 200.079 2.799 50 0 BFAARN Nc1cc(-c2ccc(OC(F)F)cc2)no1 ZINC000020078650 342967971 /nfs/dbraw/zinc/96/79/71/342967971.db2.gz HQVFPPUOUJQDPU-UHFFFAOYSA-N 0 0 226.182 2.525 50 0 BFAARN N[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000020592714 342991716 /nfs/dbraw/zinc/99/17/16/342991716.db2.gz BIQHNLUUSFOCKK-AWEZNQCLSA-N 0 0 224.263 2.876 50 0 BFAARN NN=c1[nH]c2cc(C(F)(F)F)ccc2s1 ZINC000020286056 342980483 /nfs/dbraw/zinc/98/04/83/342980483.db2.gz WMGILRGFFUZVAS-UHFFFAOYSA-N 0 0 233.218 2.601 50 0 BFAARN Cc1cc(C(=O)N2CCC(C)CC2)c(C)o1 ZINC000020344801 342982721 /nfs/dbraw/zinc/98/27/21/342982721.db2.gz DQRVUZSVKIETQX-UHFFFAOYSA-N 0 0 221.300 2.769 50 0 BFAARN Nc1ccc(NC(=O)c2ccncc2)c(Cl)c1 ZINC000020344226 342982766 /nfs/dbraw/zinc/98/27/66/342982766.db2.gz UTHKZUGFEHEVNW-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN Clc1cncc(NCc2ccccc2)n1 ZINC000020358070 342983561 /nfs/dbraw/zinc/98/35/61/342983561.db2.gz HPWNUTJQNSNNAA-UHFFFAOYSA-N 0 0 219.675 2.742 50 0 BFAARN CC(C)CC(=O)Nc1ccc2n[nH]cc2c1 ZINC000020468499 342986352 /nfs/dbraw/zinc/98/63/52/342986352.db2.gz XGNHJJHFJOQJDR-UHFFFAOYSA-N 0 0 217.272 2.548 50 0 BFAARN Nc1ccccc1CCc1nc2ccccc2[nH]1 ZINC000020980499 343001033 /nfs/dbraw/zinc/00/10/33/343001033.db2.gz FWEZTFXDAVPZNY-UHFFFAOYSA-N 0 0 237.306 2.930 50 0 BFAARN CC(C)c1noc(-c2cccc(O)c2)n1 ZINC000022120103 343040413 /nfs/dbraw/zinc/04/04/13/343040413.db2.gz RXMHZMMNRISLGD-UHFFFAOYSA-N 0 0 204.229 2.566 50 0 BFAARN CC(C)(C)c1ccc(C[NH2+]CCC(=O)[O-])cc1 ZINC000021953140 343029656 /nfs/dbraw/zinc/02/96/56/343029656.db2.gz WCTULNFYSPXGTF-UHFFFAOYSA-N 0 0 235.327 2.548 50 0 BFAARN Nc1ccccc1OCCc1ccccc1 ZINC000021955137 343030339 /nfs/dbraw/zinc/03/03/39/343030339.db2.gz XHTYNSVPAGBEAU-UHFFFAOYSA-N 0 0 213.280 2.890 50 0 BFAARN Cc1c(Cl)nccc1Br ZINC000021981933 343031463 /nfs/dbraw/zinc/03/14/63/343031463.db2.gz XOHGSWUURFCOIL-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN Cc1ccc(C)c(OCC(=O)NC(C)C)c1C ZINC000000144477 178487681 /nfs/dbraw/zinc/48/76/81/178487681.db2.gz CDWMURFLCPEKLG-UHFFFAOYSA-N 0 0 235.327 2.515 50 0 BFAARN CCCCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000023039759 343057927 /nfs/dbraw/zinc/05/79/27/343057927.db2.gz JHDJBLZQZSYAJG-UHFFFAOYSA-N 0 0 249.310 2.977 50 0 BFAARN COc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000023114766 343059253 /nfs/dbraw/zinc/05/92/53/343059253.db2.gz PXRYQGYLYYWQMW-CHWSQXEVSA-N 0 0 249.354 2.613 50 0 BFAARN Cc1ccc2nc(-c3cccc(N)c3)[nH]c2n1 ZINC000162935092 343076148 /nfs/dbraw/zinc/07/61/48/343076148.db2.gz QURTZHHRUVDDGZ-UHFFFAOYSA-N 0 0 224.267 2.516 50 0 BFAARN CONC(=O)c1ccccc1Nc1ccccc1 ZINC000024831305 343078114 /nfs/dbraw/zinc/07/81/14/343078114.db2.gz WLLOJDKYGLKBRN-UHFFFAOYSA-N 0 0 242.278 2.721 50 0 BFAARN Nc1cccc(-c2nc3cccnc3s2)c1 ZINC000026420618 343104911 /nfs/dbraw/zinc/10/49/11/343104911.db2.gz QRWGZPQIVISXGY-UHFFFAOYSA-N 0 0 227.292 2.941 50 0 BFAARN CSc1ccc(-c2csc(=O)[nH]2)cc1 ZINC000025757465 343095116 /nfs/dbraw/zinc/09/51/16/343095116.db2.gz SZDBQEQTVAZKTM-UHFFFAOYSA-N 0 0 223.322 2.825 50 0 BFAARN O=c1[nH]c2ccc(OCc3ccccc3)cc2o1 ZINC000025757470 343095128 /nfs/dbraw/zinc/09/51/28/343095128.db2.gz JVUPJESJQYCFOB-UHFFFAOYSA-N 0 0 241.246 2.700 50 0 BFAARN Cc1ccc2nc(-c3ccccc3)[nH]c(=O)c2c1 ZINC000027515246 343118045 /nfs/dbraw/zinc/11/80/45/343118045.db2.gz YAEHYTHSAFRMPM-UHFFFAOYSA-N 0 0 236.274 2.899 50 0 BFAARN Cc1ccc(NC(=O)Nc2cnccn2)cc1F ZINC000013321212 362101224 /nfs/dbraw/zinc/10/12/24/362101224.db2.gz RKSYIVARYQVOPW-UHFFFAOYSA-N 0 0 246.245 2.568 50 0 BFAARN CCCc1cc(C(=O)N2CCCC[C@H]2CC)[nH]n1 ZINC000029506145 343141868 /nfs/dbraw/zinc/14/18/68/343141868.db2.gz YVOPTNRRFRASRI-GFCCVEGCSA-N 0 0 249.358 2.767 50 0 BFAARN CCOc1cccc(-c2cccc(N)n2)c1 ZINC000032553327 343237649 /nfs/dbraw/zinc/23/76/49/343237649.db2.gz FUBIYHHIXAOQPJ-UHFFFAOYSA-N 0 0 214.268 2.730 50 0 BFAARN Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000032625249 343238915 /nfs/dbraw/zinc/23/89/15/343238915.db2.gz PLMQEDVNCVIZTM-UHFFFAOYSA-N 0 0 237.196 2.686 50 0 BFAARN Cc1cc(C(=O)N2CCCC2)c(C)s1 ZINC000032747689 343241882 /nfs/dbraw/zinc/24/18/82/343241882.db2.gz CHYFPAUQMDXQME-UHFFFAOYSA-N 0 0 209.314 2.601 50 0 BFAARN CC(C)c1ocnc1C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000072303680 343243082 /nfs/dbraw/zinc/24/30/82/343243082.db2.gz OJKRKLKXFULZAU-UWVGGRQHSA-N 0 0 236.315 2.526 50 0 BFAARN Cc1ccc(CNC(=O)c2ccoc2C)s1 ZINC000048345475 343249562 /nfs/dbraw/zinc/24/95/62/343249562.db2.gz VKGKQPYFEZEWJS-UHFFFAOYSA-N 0 0 235.308 2.888 50 0 BFAARN Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)c(F)c1 ZINC000032960651 343264824 /nfs/dbraw/zinc/26/48/24/343264824.db2.gz UVQQBXXBCAUDRX-IUCAKERBSA-N 0 0 207.248 2.729 50 0 BFAARN O=C([O-])c1cccc(Nc2cc[nH+]cc2)c1 ZINC000034131149 343265149 /nfs/dbraw/zinc/26/51/49/343265149.db2.gz XZGYYDNYYBXBMG-UHFFFAOYSA-N 0 0 214.224 2.523 50 0 BFAARN O=C1CCCc2cc(Br)ccc21 ZINC000034217723 343266525 /nfs/dbraw/zinc/26/65/25/343266525.db2.gz OSDHOOBPMBLALZ-UHFFFAOYSA-N 0 0 225.085 2.968 50 0 BFAARN COc1cc(N)c(Cl)cc1Br ZINC000034363585 343268313 /nfs/dbraw/zinc/26/83/13/343268313.db2.gz POEPONDACHYKKW-UHFFFAOYSA-N 0 0 236.496 2.693 50 0 BFAARN CCC(=O)C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000000051215 343268917 /nfs/dbraw/zinc/26/89/17/343268917.db2.gz QCVZPLFWQXHAKD-LLVKDONJSA-N 0 0 246.228 2.806 50 0 BFAARN O=c1cc(-c2cccs2)sc(=S)[nH]1 ZINC000000227626 343269560 /nfs/dbraw/zinc/26/95/60/343269560.db2.gz YJTFIMIGVVQHES-UHFFFAOYSA-N 0 0 227.335 2.894 50 0 BFAARN Oc1ccc(Sc2ccncc2)cc1 ZINC000034463026 343271430 /nfs/dbraw/zinc/27/14/30/343271430.db2.gz LDMGNZJMTUYLQH-UHFFFAOYSA-N 0 0 203.266 2.938 50 0 BFAARN Cc1cc(C)nc(N=NC(C)c2ccco2)n1 ZINC000004996181 343273843 /nfs/dbraw/zinc/27/38/43/343273843.db2.gz RIHHIVLCEBMXTI-XNTDXEJSSA-N 0 0 230.271 2.523 50 0 BFAARN Cc1cc(Br)c2c(c1)C(=O)CCO2 ZINC000034519767 343274361 /nfs/dbraw/zinc/27/43/61/343274361.db2.gz UXJVBNRUWGNFAQ-UHFFFAOYSA-N 0 0 241.084 2.723 50 0 BFAARN CC(=O)OC[C@@]12CO[C@H](C)[C@@H](C1)C(C)=C[C@H]2C ZINC000043959276 343275486 /nfs/dbraw/zinc/27/54/86/343275486.db2.gz FLTREWUZEUGCGE-RFHZTLPTSA-N 0 0 238.327 2.557 50 0 BFAARN O=c1[nH]c(-c2ccccc2Cl)cs1 ZINC000034669871 343276983 /nfs/dbraw/zinc/27/69/83/343276983.db2.gz VFKMIMZLKKBRND-UHFFFAOYSA-N 0 0 211.673 2.757 50 0 BFAARN CC(C)(C)OC(=O)Nc1ncc(F)s1 ZINC000036489767 343319549 /nfs/dbraw/zinc/31/95/49/343319549.db2.gz VCMFSWGHVQKQGS-UHFFFAOYSA-N 0 0 218.253 2.629 50 0 BFAARN Clc1c(Br)nc2ccccn12 ZINC000036533243 343319841 /nfs/dbraw/zinc/31/98/41/343319841.db2.gz SRNJQIHHMIDFQP-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN Cc1cc(Br)cc2cn(C)nc21 ZINC000036533458 343320101 /nfs/dbraw/zinc/32/01/01/343320101.db2.gz GFFXVRQYZXKPRF-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN CCc1cc(=O)[nH]c(-c2cccc(Cl)c2)n1 ZINC000036755142 343323511 /nfs/dbraw/zinc/32/35/11/343323511.db2.gz DSHGZPXKKZMLPE-UHFFFAOYSA-N 0 0 234.686 2.653 50 0 BFAARN O=C([C@H]1CC=CCC1)N1CCc2ccccc2C1 ZINC000032975408 343323786 /nfs/dbraw/zinc/32/37/86/343323786.db2.gz AFWBIISHCOMMGK-AWEZNQCLSA-N 0 0 241.334 2.928 50 0 BFAARN CCOc1cc(Br)ccc1C=O ZINC000036985301 343329498 /nfs/dbraw/zinc/32/94/98/343329498.db2.gz RCLVJRISTAVSBL-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN Cc1c(N)cccc1OCC(F)(F)F ZINC000035283189 343292405 /nfs/dbraw/zinc/29/24/05/343292405.db2.gz KUXMBHWMSQIASW-UHFFFAOYSA-N 0 0 205.179 2.518 50 0 BFAARN O=[S@@](c1ccccc1)C1(Cl)CC1 ZINC000038234939 343372924 /nfs/dbraw/zinc/37/29/24/343372924.db2.gz SOZLZFHVVDEWNB-GFCCVEGCSA-N 0 0 200.690 2.523 50 0 BFAARN CC(C)(O)Cc1ccccc1Br ZINC000037463549 343345858 /nfs/dbraw/zinc/34/58/58/343345858.db2.gz UXQJCRYQCNOUMH-UHFFFAOYSA-N 0 0 229.117 2.763 50 0 BFAARN CCc1cnc(NCc2cccn2C)s1 ZINC000134993414 343352164 /nfs/dbraw/zinc/35/21/64/343352164.db2.gz QUKOPOGQJZEQID-UHFFFAOYSA-N 0 0 221.329 2.656 50 0 BFAARN Cc1cc(C(=O)OC(C)(C)C)ccc1N ZINC000037729914 343353016 /nfs/dbraw/zinc/35/30/16/343353016.db2.gz HFMIRAQWPTZEAH-UHFFFAOYSA-N 0 0 207.273 2.533 50 0 BFAARN CCCC(=O)Nc1ccc2c(c1)CCC2 ZINC000013326474 346935581 /nfs/dbraw/zinc/93/55/81/346935581.db2.gz VQIPGCXDFKLCKE-UHFFFAOYSA-N 0 0 203.285 2.914 50 0 BFAARN CCOc1cc(F)cc(Br)c1 ZINC000039100551 343384040 /nfs/dbraw/zinc/38/40/40/343384040.db2.gz SQLIBVAWDBGNHE-UHFFFAOYSA-N 0 0 219.053 2.987 50 0 BFAARN Nc1nc(-c2ccc(Br)o2)cs1 ZINC000039289535 343388287 /nfs/dbraw/zinc/38/82/87/343388287.db2.gz JHRJHHTUQFDOIA-UHFFFAOYSA-N 0 0 245.101 2.748 50 0 BFAARN Clc1cc(N2CCCCCC2)ncn1 ZINC000040422311 343402600 /nfs/dbraw/zinc/40/26/00/343402600.db2.gz HXPNPJIAXIADEM-UHFFFAOYSA-N 0 0 211.696 2.510 50 0 BFAARN CC(C)(C)OC(=O)Nc1noc2ccc(N)cc21 ZINC000040448656 343404063 /nfs/dbraw/zinc/40/40/63/343404063.db2.gz VKHZQNDFOLJRBM-UHFFFAOYSA-N 0 0 249.270 2.757 50 0 BFAARN C[C@@H](O)c1cc(Br)ccc1F ZINC000040448687 343404190 /nfs/dbraw/zinc/40/41/90/343404190.db2.gz QWIJUQVYIYCHMK-RXMQYKEDSA-N 0 0 219.053 2.642 50 0 BFAARN C[C@@H](C1CC1)N(C)C(=O)c1ccsc1 ZINC000040490153 343405233 /nfs/dbraw/zinc/40/52/33/343405233.db2.gz HQSNEWDSCPVXCA-QMMMGPOBSA-N 0 0 209.314 2.619 50 0 BFAARN CCc1nc2sc3c(c2c(NC)n1)CCC3 ZINC000041090160 343414803 /nfs/dbraw/zinc/41/48/03/343414803.db2.gz PJPUFNFHGYISBH-UHFFFAOYSA-N 0 0 233.340 2.784 50 0 BFAARN CCSc1ccc(Br)cn1 ZINC000042351437 343435017 /nfs/dbraw/zinc/43/50/17/343435017.db2.gz LOZFITIIRWTYPM-UHFFFAOYSA-N 0 0 218.119 2.956 50 0 BFAARN CCOc1ccc([C@@H](C)O)c(OCC)c1 ZINC000042684315 343447864 /nfs/dbraw/zinc/44/78/64/343447864.db2.gz HLEWKJICLMIORG-SECBINFHSA-N 0 0 210.273 2.537 50 0 BFAARN CN(c1cncc(Cl)n1)C1CCCCC1 ZINC000042783559 343453595 /nfs/dbraw/zinc/45/35/95/343453595.db2.gz NHNRDKZRQYYFHK-UHFFFAOYSA-N 0 0 225.723 2.899 50 0 BFAARN Cc1ccc(CN(C)C(=O)C(C)(C)C)o1 ZINC000032667697 178539253 /nfs/dbraw/zinc/53/92/53/178539253.db2.gz XUFXALNYACNEBZ-UHFFFAOYSA-N 0 0 209.289 2.593 50 0 BFAARN C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccccc1 ZINC000043534313 343477302 /nfs/dbraw/zinc/47/73/02/343477302.db2.gz IDKMCTUUHBDJFU-MRVPVSSYSA-N 0 0 248.717 2.885 50 0 BFAARN C[C@@H](O)Cc1c(Cl)cccc1Cl ZINC000044266652 343497007 /nfs/dbraw/zinc/49/70/07/343497007.db2.gz IBZNHQGQLNNWPH-ZCFIWIBFSA-N 0 0 205.084 2.917 50 0 BFAARN O=C1CC[C@@]2(CCCC[C@@H]2c2ccccc2)N1 ZINC000044124794 343492107 /nfs/dbraw/zinc/49/21/07/343492107.db2.gz SNDDYBGPSCGBOE-UKRRQHHQSA-N 0 0 229.323 2.993 50 0 BFAARN CN(Cc1nc(C2CC2)no1)CC1CCCCC1 ZINC000044715342 343512533 /nfs/dbraw/zinc/51/25/33/343512533.db2.gz XODOPVGSPAURFB-UHFFFAOYSA-N 0 0 249.358 2.959 50 0 BFAARN Nc1ccc2ncccc2c1Br ZINC000045817296 343534941 /nfs/dbraw/zinc/53/49/41/343534941.db2.gz MODLGTLYXJGDCH-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN COCc1ccccc1NC(=O)c1ccoc1 ZINC000046933088 343555991 /nfs/dbraw/zinc/55/59/91/343555991.db2.gz SSSFCDDBOZWTKP-UHFFFAOYSA-N 0 0 231.251 2.678 50 0 BFAARN O=C(CCF)c1ccccc1Br ZINC000049588145 343603804 /nfs/dbraw/zinc/60/38/04/343603804.db2.gz AOCAVTZTHWBYOI-UHFFFAOYSA-N 0 0 231.064 2.991 50 0 BFAARN CCCc1noc(C(Cl)(Cl)Cl)n1 ZINC000526056101 259366527 /nfs/dbraw/zinc/36/65/27/259366527.db2.gz UWJQSPIKOKZIOZ-UHFFFAOYSA-N 0 0 229.494 2.849 50 0 BFAARN CC(=O)Nc1cnc(-c2ccccc2)s1 ZINC000091773809 343690074 /nfs/dbraw/zinc/69/00/74/343690074.db2.gz WMCUXARAAOFBKW-UHFFFAOYSA-N 0 0 218.281 2.769 50 0 BFAARN CCC(=O)C1=C(O)CC[C@H](C(C)(C)C)C1 ZINC000043651713 343696737 /nfs/dbraw/zinc/69/67/37/343696737.db2.gz UUOALHMQTJPKOY-UWVGGRQHSA-N 0 0 210.317 2.997 50 0 BFAARN CCCCOc1ccc(C(=O)OC)cc1OC ZINC000058050128 343696744 /nfs/dbraw/zinc/69/67/44/343696744.db2.gz UOSGRNUALUSRJX-UHFFFAOYSA-N 0 0 238.283 2.661 50 0 BFAARN COc1ccc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000059595264 343711143 /nfs/dbraw/zinc/71/11/43/343711143.db2.gz BHJTYLCUHUTYEE-UHFFFAOYSA-N 0 0 222.027 2.910 50 0 BFAARN CC(=O)Nc1c(C)c(Cl)c(C)cc1O ZINC000238066437 537817008 /nfs/dbraw/zinc/81/70/08/537817008.db2.gz KOGOSXPOTDIQIA-UHFFFAOYSA-N 0 0 213.664 2.621 50 0 BFAARN CCC[C@@H]1CCC(O)=C(C(=O)C(C)C)C1 ZINC000112750724 537822320 /nfs/dbraw/zinc/82/23/20/537822320.db2.gz JZHIEWWMIAUPCM-MNOVXSKESA-N 0 0 210.317 2.997 50 0 BFAARN Cc1noc(C)c1C(=O)NCc1ccc(C)cc1 ZINC000001368410 178598707 /nfs/dbraw/zinc/59/87/07/178598707.db2.gz FJTAWRXMIAXBGO-UHFFFAOYSA-N 0 0 244.294 2.530 50 0 BFAARN CSc1nnc2c(n1)[nH]c1ccc(C)cc12 ZINC000002473146 343881859 /nfs/dbraw/zinc/88/18/59/343881859.db2.gz UFTFARHCLRKBDJ-UHFFFAOYSA-N 0 0 230.296 2.536 50 0 BFAARN CC[C@@H]1Nc2ccccc2[C@H]2OCC[C@H]21 ZINC000393695379 343911250 /nfs/dbraw/zinc/91/12/50/343911250.db2.gz GUSGKWWFAZQHTF-GMXVVIOVSA-N 0 0 203.285 2.968 50 0 BFAARN C[C@@H](CC(F)F)C(=O)N1CCC(C)(C)C1 ZINC000334807250 343909361 /nfs/dbraw/zinc/90/93/61/343909361.db2.gz OZMSFVIJEJCXCT-QMMMGPOBSA-N 0 0 219.275 2.536 50 0 BFAARN Cc1cccc(CC(=O)N2CCCCC2)c1 ZINC000074921748 192368148 /nfs/dbraw/zinc/36/81/48/192368148.db2.gz XMRCECRSVVQTAB-UHFFFAOYSA-N 0 0 217.312 2.550 50 0 BFAARN O=C(Nc1nccs1)[C@H]1CCC[C@@H](F)C1 ZINC000335106668 343928775 /nfs/dbraw/zinc/92/87/75/343928775.db2.gz BTXIJIZEWXAKDT-JGVFFNPUSA-N 0 0 228.292 2.610 50 0 BFAARN CCCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000040456245 343956396 /nfs/dbraw/zinc/95/63/96/343956396.db2.gz JCGFZKPXJZWTQQ-VIFPVBQESA-N 0 0 209.264 2.803 50 0 BFAARN CCCO[C@@H]1CCC[C@H](CCCO)C1 ZINC000238247454 344104448 /nfs/dbraw/zinc/10/44/48/344104448.db2.gz KNCACCCFPLJHEI-VXGBXAGGSA-N 0 0 200.322 2.744 50 0 BFAARN CCSc1sc(CC)cc1C(N)=O ZINC000000059881 344127467 /nfs/dbraw/zinc/12/74/67/344127467.db2.gz WKVWTXWHPFKMAK-UHFFFAOYSA-N 0 0 215.343 2.521 50 0 BFAARN CC[C@]1(C)OC(=O)N(c2ccc(C)cc2)[C@]1(C)O ZINC000000062825 344133836 /nfs/dbraw/zinc/13/38/36/344133836.db2.gz XMWMXPJLPCRTIY-UONOGXRCSA-N 0 0 249.310 2.829 50 0 BFAARN C=CC(=O)NCc1ccc(C)c2ccccc12 ZINC000585133988 344147504 /nfs/dbraw/zinc/14/75/04/344147504.db2.gz WKUHIQKUJYCMAI-UHFFFAOYSA-N 0 0 225.291 2.950 50 0 BFAARN CC(C)c1cccc(OCC[C@H]2CCNC2=O)c1 ZINC000585137045 344148739 /nfs/dbraw/zinc/14/87/39/344148739.db2.gz FNZHKTPFYXSLGS-GFCCVEGCSA-N 0 0 247.338 2.715 50 0 BFAARN CC(C)c1cccc(OCC[C@@H]2CCNC2=O)c1 ZINC000585137046 344148813 /nfs/dbraw/zinc/14/88/13/344148813.db2.gz FNZHKTPFYXSLGS-LBPRGKRZSA-N 0 0 247.338 2.715 50 0 BFAARN CCCO[C@@H]1CCC[C@@H](CCCO)C1 ZINC000238247402 344330902 /nfs/dbraw/zinc/33/09/02/344330902.db2.gz KNCACCCFPLJHEI-NWDGAFQWSA-N 0 0 200.322 2.744 50 0 BFAARN CSc1sc(C)cc1-c1nsc(=O)o1 ZINC000000112053 344409999 /nfs/dbraw/zinc/40/99/99/344409999.db2.gz MPAVPPZRYGYOIC-UHFFFAOYSA-N 0 0 245.350 2.855 50 0 BFAARN FC(F)(F)Cn1ccnc1-c1ccccn1 ZINC000095990860 537845905 /nfs/dbraw/zinc/84/59/05/537845905.db2.gz TYEHWBOLVNZXPP-UHFFFAOYSA-N 0 0 227.189 2.507 50 0 BFAARN O=C1N[C@H](c2ccsc2)N2CCCC[C@H]12 ZINC000071967380 344471021 /nfs/dbraw/zinc/47/10/21/344471021.db2.gz WAENQLOOEBXYDO-ZJUUUORDSA-N 0 0 222.313 2.571 50 0 BFAARN CCS[C@@H]1CCC[C@@H](NC(=O)N(C)CC)C1 ZINC000084760738 344473533 /nfs/dbraw/zinc/47/35/33/344473533.db2.gz OCSXWZBMOSQJNP-GHMZBOCLSA-N 0 0 244.404 2.712 50 0 BFAARN c1csc(-c2cn3c(n2)SCC3)c1 ZINC000000107211 344543975 /nfs/dbraw/zinc/54/39/75/344543975.db2.gz SSOPPFVENQERAP-UHFFFAOYSA-N 0 0 208.311 2.717 50 0 BFAARN c1nc2sc3c(c2c(N2CCCC2)n1)CCC3 ZINC000000127389 344558408 /nfs/dbraw/zinc/55/84/08/344558408.db2.gz AUAXUHOFWCIIGI-UHFFFAOYSA-N 0 0 245.351 2.780 50 0 BFAARN Cc1nc2cc(Cl)ccc2cc1C(=O)N(C)C ZINC000024802327 537850248 /nfs/dbraw/zinc/85/02/48/537850248.db2.gz UAGVPMBRJLJQFV-UHFFFAOYSA-N 0 0 248.713 2.898 50 0 BFAARN Cc1ccc(F)cc1CNc1ncccn1 ZINC000083348945 178688135 /nfs/dbraw/zinc/68/81/35/178688135.db2.gz FHYIDUMMTMXNIX-UHFFFAOYSA-N 0 0 217.247 2.536 50 0 BFAARN CC(C)CNC(=O)/C=C/c1ccc(F)cc1 ZINC000000253775 344663582 /nfs/dbraw/zinc/66/35/82/344663582.db2.gz XQVSMGNYNHMBON-VMPITWQZSA-N 0 0 221.275 2.611 50 0 BFAARN Cc1ccc(NC(=O)C2CCCC2)cc1O ZINC000005126622 178720560 /nfs/dbraw/zinc/72/05/60/178720560.db2.gz LQCWEHRHBZDKJR-UHFFFAOYSA-N 0 0 219.284 2.829 50 0 BFAARN COc1ccc(-c2cccnc2C)cc1C=O ZINC000715277742 537870731 /nfs/dbraw/zinc/87/07/31/537870731.db2.gz CFBOYCWCIZFZDI-UHFFFAOYSA-N 0 0 227.263 2.878 50 0 BFAARN C[C@@H]1c2ccsc2CCN1C(=O)NC1CC1 ZINC000048844605 345001794 /nfs/dbraw/zinc/00/17/94/345001794.db2.gz WPVVUCURMCFCPA-MRVPVSSYSA-N 0 0 236.340 2.539 50 0 BFAARN COc1ccc(Cl)nc1C(F)(F)F ZINC000238344871 345026835 /nfs/dbraw/zinc/02/68/35/345026835.db2.gz FLNXGDJJICNCOB-UHFFFAOYSA-N 0 0 211.570 2.762 50 0 BFAARN CCOc1ccccc1Nc1cc(C)ncn1 ZINC000011902772 345061087 /nfs/dbraw/zinc/06/10/87/345061087.db2.gz OUAQWADSGNOTDE-UHFFFAOYSA-N 0 0 229.283 2.927 50 0 BFAARN Oc1cccc2c1CC[C@H]2Nc1ccccn1 ZINC000091485170 345595023 /nfs/dbraw/zinc/59/50/23/345595023.db2.gz RBLMMPLFJYILGE-GFCCVEGCSA-N 0 0 226.279 2.887 50 0 BFAARN Cc1ccc([C@H](NC(N)=O)c2ccccc2)cc1 ZINC000000437187 178909714 /nfs/dbraw/zinc/90/97/14/178909714.db2.gz VSCGYFLHIVGWJZ-CQSZACIVSA-N 0 0 240.306 2.753 50 0 BFAARN CCOc1ccc(-c2cn3ncsc3n2)cc1 ZINC000005182367 345812581 /nfs/dbraw/zinc/81/25/81/345812581.db2.gz XWLQYXJTDQDLAQ-UHFFFAOYSA-N 0 0 245.307 2.857 50 0 BFAARN Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(N)=O ZINC000000188844 178935261 /nfs/dbraw/zinc/93/52/61/178935261.db2.gz BVIXGGBKDPPGHJ-GFCCVEGCSA-N 0 0 243.310 2.522 50 0 biogenic BFAARN CC(C)(O)c1cnc(Cl)cc1Cl ZINC000307648455 345872512 /nfs/dbraw/zinc/87/25/12/345872512.db2.gz GTKLTAYQGIKYTN-UHFFFAOYSA-N 0 0 206.072 2.616 50 0 BFAARN C[C@@H]1CC(C)(C)N(C)c2cc(O)c(C=O)cc21 ZINC000081223230 345899981 /nfs/dbraw/zinc/89/99/81/345899981.db2.gz RJXNFWFYOYFLIP-SECBINFHSA-N 0 0 233.311 2.927 50 0 BFAARN Clc1ccc(CNc2ncccn2)cc1 ZINC000005262098 345961258 /nfs/dbraw/zinc/96/12/58/345961258.db2.gz GXHXQTORZZKVMA-UHFFFAOYSA-N 0 0 219.675 2.742 50 0 BFAARN Cc1ccc2c(c1)[C@@H]1CCCC(=O)[C@H]1N2 ZINC000100769724 178953053 /nfs/dbraw/zinc/95/30/53/178953053.db2.gz KQAOLVJMYZHVBN-ZANVPECISA-N 0 0 201.269 2.626 50 0 biogenic BFAARN Cc1ccc2c(c1)NC(=O)[C@]2(Cl)C(F)(F)F ZINC000004615866 178947108 /nfs/dbraw/zinc/94/71/08/178947108.db2.gz OGVXHZOIJMMJRD-VIFPVBQESA-N 0 0 249.619 2.944 50 0 BFAARN Cc1ccc(C)c(N[C@H](C)C(=O)N2CCCC2)c1 ZINC000057324308 537932408 /nfs/dbraw/zinc/93/24/08/537932408.db2.gz VMXHCYGWZOGUEK-CYBMUJFWSA-N 0 0 246.354 2.726 50 0 BFAARN CCN1c2cc(F)ccc2C[C@H]1c1ncc[nH]1 ZINC000685944343 537933679 /nfs/dbraw/zinc/93/36/79/537933679.db2.gz IWLIKZLTJQBGPW-LBPRGKRZSA-N 0 0 231.274 2.673 50 0 BFAARN Cc1ccc2c(c1)cc(C=O)c(=O)n2CC(C)C ZINC000003882763 178959344 /nfs/dbraw/zinc/95/93/44/178959344.db2.gz BQPQJZHXWMLMKZ-UHFFFAOYSA-N 0 0 243.306 2.778 50 0 biogenic BFAARN CC[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(=O)[O-] ZINC000191424899 346027326 /nfs/dbraw/zinc/02/73/26/346027326.db2.gz NBTYLQBRCHFRCX-KGLIPLIRSA-N 0 0 247.338 2.981 50 0 BFAARN CCCC(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000041421364 168543864 /nfs/dbraw/zinc/54/38/64/168543864.db2.gz GKLSZOUTWOXCQU-TZMCWYRMSA-N 0 0 247.338 2.775 50 0 BFAARN Cc1cccc(-n2nc(-c3ccco3)cc2N)c1 ZINC000102683489 179000402 /nfs/dbraw/zinc/00/04/02/179000402.db2.gz LHUHMRPDINIYDV-UHFFFAOYSA-N 0 0 239.278 2.853 50 0 BFAARN Cc1ccc2[nH]c3c(c2c1)CCCC[C@H]3C(N)=O ZINC000005418036 346215689 /nfs/dbraw/zinc/21/56/89/346215689.db2.gz BEGPLEUQYHEHLN-LLVKDONJSA-N 0 0 242.322 2.772 50 0 BFAARN CSCC(=O)c1ccc(Br)cc1 ZINC000034160023 346213480 /nfs/dbraw/zinc/21/34/80/346213480.db2.gz RNZMXZQNRRHIGR-UHFFFAOYSA-N 0 0 245.141 2.995 50 0 BFAARN [O-][n+]1cc2cscc2c2ccsc21 ZINC000034104264 346194394 /nfs/dbraw/zinc/19/43/94/346194394.db2.gz ZYWSGAJPMSTSAE-UHFFFAOYSA-N 0 0 207.279 2.749 50 0 BFAARN Cc1cccc(C(=O)Cc2ccc(F)cc2)n1 ZINC000021984743 179003812 /nfs/dbraw/zinc/00/38/12/179003812.db2.gz HMAHITRAFPEBFM-UHFFFAOYSA-N 0 0 229.254 2.955 50 0 BFAARN O=C1Nc2ccccc2S[C@H]1N1CCCCC1 ZINC000003353389 537961394 /nfs/dbraw/zinc/96/13/94/537961394.db2.gz TYRSEKOROXBGKY-CYBMUJFWSA-N 0 0 248.351 2.543 50 0 BFAARN Cc1cccc(C(=O)NC2CCCC2)c1 ZINC000000383601 179014715 /nfs/dbraw/zinc/01/47/15/179014715.db2.gz ACBHDTAGNLMYRV-UHFFFAOYSA-N 0 0 203.285 2.667 50 0 BFAARN COc1cc(C)c(NC(=O)[C@H]2C[C@H]2C)cc1OC ZINC000005616893 346284069 /nfs/dbraw/zinc/28/40/69/346284069.db2.gz CAUMHHMSEMESFJ-SCZZXKLOSA-N 0 0 249.310 2.607 50 0 BFAARN C[C@]1(c2cccnc2)CC(=O)c2ccccc2O1 ZINC000005587134 346265395 /nfs/dbraw/zinc/26/53/95/346265395.db2.gz NMQTZIVJPRLLFT-OAHLLOKOSA-N 0 0 239.274 2.962 50 0 BFAARN Cc1cc(=O)[nH]c(Nc2ccc(Cl)cc2C)n1 ZINC000005625887 346286190 /nfs/dbraw/zinc/28/61/90/346286190.db2.gz MQAUNNDYVXAKDZ-UHFFFAOYSA-N 0 0 249.701 2.784 50 0 BFAARN Cc1cccc(C)c1NC(=O)c1ccncc1 ZINC000005619904 179042305 /nfs/dbraw/zinc/04/23/05/179042305.db2.gz TVCJRDMVAATRMN-UHFFFAOYSA-N 0 0 226.279 2.951 50 0 BFAARN Cc1cnc(NC(=O)Cc2cccc(C)c2)s1 ZINC000006731310 179052724 /nfs/dbraw/zinc/05/27/24/179052724.db2.gz ZVUNXNWDYIRSKM-UHFFFAOYSA-N 0 0 246.335 2.941 50 0 BFAARN Cc1cccc(CC(=O)NC2CCCC2)c1 ZINC000006729499 179053202 /nfs/dbraw/zinc/05/32/02/179053202.db2.gz BHAHFBVPOZFYAJ-UHFFFAOYSA-N 0 0 217.312 2.596 50 0 BFAARN O=C1CCC(=O)N1c1cc(Cl)ccc1Cl ZINC000000243224 346401841 /nfs/dbraw/zinc/40/18/41/346401841.db2.gz BDLQNSYLACBVDC-UHFFFAOYSA-N 0 0 244.077 2.647 50 0 BFAARN Cc1cc(C)nc(Nc2ccccc2O)n1 ZINC000000180418 346401970 /nfs/dbraw/zinc/40/19/70/346401970.db2.gz WGIOYZLRQXFWBB-UHFFFAOYSA-N 0 0 215.256 2.543 50 0 BFAARN Cc1cccc(NC(=O)c2ccco2)c1 ZINC000000281588 346406388 /nfs/dbraw/zinc/40/63/88/346406388.db2.gz KPBVQSTXGSQMSM-UHFFFAOYSA-N 0 0 201.225 2.840 50 0 BFAARN CCCCCCNS(=O)(=O)c1ccccc1 ZINC000001656291 346462200 /nfs/dbraw/zinc/46/22/00/346462200.db2.gz SKERWNIJEZZECH-UHFFFAOYSA-N 0 0 241.356 2.545 50 0 BFAARN CCCCC[C@@H](C)NC(=O)c1ccco1 ZINC000002479922 346509600 /nfs/dbraw/zinc/50/96/00/346509600.db2.gz ANMUBJVQMXAPSJ-SNVBAGLBSA-N 0 0 209.289 2.978 50 0 BFAARN Cn1cnnc1SC/C=C/c1ccccc1 ZINC000002497177 346509837 /nfs/dbraw/zinc/50/98/37/346509837.db2.gz FSNYXQZDOOQNCW-VMPITWQZSA-N 0 0 231.324 2.621 50 0 BFAARN CCCCC(=O)Oc1ccccc1OC ZINC000002065802 346493389 /nfs/dbraw/zinc/49/33/89/346493389.db2.gz JIPVGERXYWGOOY-UHFFFAOYSA-N 0 0 208.257 2.791 50 0 BFAARN Cc1cccc(NC(=O)CCn2cccn2)c1C ZINC000020602904 179127768 /nfs/dbraw/zinc/12/77/68/179127768.db2.gz VXJMXZRCZAAATF-UHFFFAOYSA-N 0 0 243.310 2.529 50 0 BFAARN CC(C)CNC(=O)Nc1ccccc1F ZINC000004539216 346604207 /nfs/dbraw/zinc/60/42/07/346604207.db2.gz BZLCTLUOEACLGK-UHFFFAOYSA-N 0 0 210.252 2.603 50 0 BFAARN CCN1C(=O)S/C(=C/c2ccsc2)C1=O ZINC000004695160 346605683 /nfs/dbraw/zinc/60/56/83/346605683.db2.gz HYKQQGYHEXTYGH-VMPITWQZSA-N 0 0 239.321 2.804 50 0 BFAARN CCCC(=O)Nc1ccc(C)cc1OC ZINC000004704393 346607605 /nfs/dbraw/zinc/60/76/05/346607605.db2.gz AGVFRIAXCORJJH-UHFFFAOYSA-N 0 0 207.273 2.742 50 0 BFAARN Cc1cccc(NC(=O)NCc2ccco2)c1 ZINC000000395266 179134654 /nfs/dbraw/zinc/13/46/54/179134654.db2.gz MLGRHEYXKMIWJJ-UHFFFAOYSA-N 0 0 230.267 2.910 50 0 BFAARN CCOc1ccccc1Nc1n[nH]c(=S)[nH]1 ZINC000006247020 346646372 /nfs/dbraw/zinc/64/63/72/346646372.db2.gz LSXPDGRAHWXVEL-UHFFFAOYSA-N 0 0 236.300 2.610 50 0 BFAARN Cc1ccc(NC(=O)NC2CC2)cc1Cl ZINC000006731410 346655458 /nfs/dbraw/zinc/65/54/58/346655458.db2.gz QMJOOKNZVFNQJR-UHFFFAOYSA-N 0 0 224.691 2.932 50 0 BFAARN Cc1cccc(NC(=O)Cc2ccsc2)n1 ZINC000032721906 179129081 /nfs/dbraw/zinc/12/90/81/179129081.db2.gz MMCDZRMWPHPPKP-UHFFFAOYSA-N 0 0 232.308 2.633 50 0 BFAARN CCC[C@H](O)c1cc(OC)ccc1OC ZINC000000481520 346687150 /nfs/dbraw/zinc/68/71/50/346687150.db2.gz MKRNUXCCGJVHPA-NSHDSACASA-N 0 0 210.273 2.537 50 0 BFAARN O=C(c1c(Cl)cccc1Cl)n1cccn1 ZINC000000484128 346736440 /nfs/dbraw/zinc/73/64/40/346736440.db2.gz NQTREZPYGVUPLC-UHFFFAOYSA-N 0 0 241.077 2.878 50 0 BFAARN CCOc1ccc(NC(=O)c2ccccn2)cc1 ZINC000000484510 346737060 /nfs/dbraw/zinc/73/70/60/346737060.db2.gz ZDKOYNFJCFHHDT-UHFFFAOYSA-N 0 0 242.278 2.733 50 0 BFAARN O=Cc1cc(-c2ccncc2F)cs1 ZINC000725242454 537985814 /nfs/dbraw/zinc/98/58/14/537985814.db2.gz GPLHRMXQXLLUPA-UHFFFAOYSA-N 0 0 207.229 2.762 50 0 BFAARN CCCC(=O)Nc1ccc(OC)c2ncccc12 ZINC000015840714 168564676 /nfs/dbraw/zinc/56/46/76/168564676.db2.gz OMNKHNJSLAYRQG-UHFFFAOYSA-N 0 0 244.294 2.982 50 0 BFAARN Cc1cccc(O[C@H](C)C(=O)NCC(C)C)c1 ZINC000048090014 179175161 /nfs/dbraw/zinc/17/51/61/179175161.db2.gz AIJXDTNSJMOWRC-GFCCVEGCSA-N 0 0 235.327 2.535 50 0 BFAARN Cc1cccc(Oc2ncnc(Cl)c2N)c1 ZINC000040428537 179176220 /nfs/dbraw/zinc/17/62/20/179176220.db2.gz UOMAZXJAZIPLEN-UHFFFAOYSA-N 0 0 235.674 2.813 50 0 BFAARN CCSC(=O)c1cc(=O)c2ccccc2o1 ZINC000017117776 347232023 /nfs/dbraw/zinc/23/20/23/347232023.db2.gz VUVGICCNQYSFTN-UHFFFAOYSA-N 0 0 234.276 2.686 50 0 BFAARN CCCC(=O)Nc1onc2c1C[C@@H](C)CC2 ZINC000011915731 168568384 /nfs/dbraw/zinc/56/83/84/168568384.db2.gz WQKDBNVOZOZROE-QMMMGPOBSA-N 0 0 222.288 2.538 50 0 BFAARN Cc1cccc([C@H](O)CNc2cccc(C)n2)c1 ZINC000158060811 179201852 /nfs/dbraw/zinc/20/18/52/179201852.db2.gz MVUQISRXNHNEOI-CQSZACIVSA-N 0 0 242.322 2.844 50 0 BFAARN Cc1cccc2c1N[C@H](c1cccs1)NC2=O ZINC000028923415 179219187 /nfs/dbraw/zinc/21/91/87/179219187.db2.gz NCJWYFSKCCNQNU-LBPRGKRZSA-N 0 0 244.319 2.911 50 0 BFAARN Cc1cccc2c1N[C@H](c1ccsc1)NC2=O ZINC000027578170 179220077 /nfs/dbraw/zinc/22/00/77/179220077.db2.gz NJVSZTSFVWNGTQ-LBPRGKRZSA-N 0 0 244.319 2.911 50 0 BFAARN Cc1ccccc1-n1cnc2cc(N)ccc21 ZINC000052842540 179242572 /nfs/dbraw/zinc/24/25/72/179242572.db2.gz BHWCOKDEIGALOH-UHFFFAOYSA-N 0 0 223.279 2.916 50 0 BFAARN Cc1ccccc1C(=O)N1CCC[C@@H]1CF ZINC000294117129 179247316 /nfs/dbraw/zinc/24/73/16/179247316.db2.gz PIRWYKHBYBCBDY-LLVKDONJSA-N 0 0 221.275 2.569 50 0 BFAARN Cc1ccccc1C(=O)N(C)Cc1cccnc1 ZINC000012538870 179246072 /nfs/dbraw/zinc/24/60/72/179246072.db2.gz ZDIVPZUTYDBOEK-UHFFFAOYSA-N 0 0 240.306 2.662 50 0 BFAARN Cc1cc(C)cc(NC(=O)[C@H](C)n2cccn2)c1 ZINC000012875835 347474298 /nfs/dbraw/zinc/47/42/98/347474298.db2.gz UBMQXCMXASKVQQ-LBPRGKRZSA-N 0 0 243.310 2.700 50 0 BFAARN CC(C)(C)N1CC(OC(=O)Nc2ccccc2)C1 ZINC000003185185 347543050 /nfs/dbraw/zinc/54/30/50/347543050.db2.gz MYGPWWONICEFEK-UHFFFAOYSA-N 0 0 248.326 2.718 50 0 BFAARN CCCC(=O)NCCc1c[nH]c2ccccc12 ZINC000012031889 347567658 /nfs/dbraw/zinc/56/76/58/347567658.db2.gz CONGMAIJMUNLHQ-UHFFFAOYSA-N 0 0 230.311 2.627 50 0 BFAARN Cc1ccccc1CC(=O)c1ccc(O)cc1O ZINC000000315226 179260816 /nfs/dbraw/zinc/26/08/16/179260816.db2.gz OPBRIMFSNKPBBC-UHFFFAOYSA-N 0 0 242.274 2.832 50 0 BFAARN Cc1ccccc1CCNC(=O)C(C)(C)C ZINC000040460948 179264344 /nfs/dbraw/zinc/26/43/44/179264344.db2.gz ZWGQRACJNKULQK-UHFFFAOYSA-N 0 0 219.328 2.700 50 0 BFAARN CC(C)Sc1ccc(Cn2ccnn2)cc1 ZINC000195568165 347647098 /nfs/dbraw/zinc/64/70/98/347647098.db2.gz FPQNWTCJYMSKEP-UHFFFAOYSA-N 0 0 233.340 2.827 50 0 BFAARN CC(C)N(C)C(=O)N(C)C[C@H]1CC=CCC1 ZINC000195577645 347648537 /nfs/dbraw/zinc/64/85/37/347648537.db2.gz KAIWYPANPHSZBB-LBPRGKRZSA-N 0 0 224.348 2.735 50 0 BFAARN Cc1c(N[C@@H](C)[C@H]2CCOC2)cccc1N(C)C ZINC000195116009 347606149 /nfs/dbraw/zinc/60/61/49/347606149.db2.gz MMXMMIKEZBLJSO-STQMWFEESA-N 0 0 248.370 2.898 50 0 BFAARN Cc1ccccc1CNC(=O)Cc1ccsc1 ZINC000032498805 179278021 /nfs/dbraw/zinc/27/80/21/179278021.db2.gz PVTOSGRCFVTAOA-UHFFFAOYSA-N 0 0 245.347 2.915 50 0 BFAARN Cc1ccccc1CNC(=O)CC(C)C ZINC000045601954 179278364 /nfs/dbraw/zinc/27/83/64/179278364.db2.gz BWBCTWNOCNYSBD-UHFFFAOYSA-N 0 0 205.301 2.657 50 0 BFAARN Cc1ccccc1N(C(=O)[C@H]1CCCO1)C(C)C ZINC000071858645 179294343 /nfs/dbraw/zinc/29/43/43/179294343.db2.gz NJVRWPWFOIMKGT-CQSZACIVSA-N 0 0 247.338 2.915 50 0 BFAARN Cc1ccccc1N(C(=O)[C@@H]1CCCO1)C(C)C ZINC000071858644 179294532 /nfs/dbraw/zinc/29/45/32/179294532.db2.gz NJVRWPWFOIMKGT-AWEZNQCLSA-N 0 0 247.338 2.915 50 0 BFAARN Cc1ccccc1N(C(=O)[C@@H]1CCOC1)C(C)C ZINC000071858636 179294558 /nfs/dbraw/zinc/29/45/58/179294558.db2.gz PLLXJLHVKYDLKO-CYBMUJFWSA-N 0 0 247.338 2.773 50 0 BFAARN Cc1ccccc1Cn1cccc(C)c1=O ZINC000069616022 179294792 /nfs/dbraw/zinc/29/47/92/179294792.db2.gz XJIXABQMHOPGBF-UHFFFAOYSA-N 0 0 213.280 2.513 50 0 BFAARN Cc1ccccc1NC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000006726191 179300943 /nfs/dbraw/zinc/30/09/43/179300943.db2.gz DHHJFEJPNKVFIM-AAEUAGOBSA-N 0 0 248.326 2.684 50 0 BFAARN Cc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000000393968 179306189 /nfs/dbraw/zinc/30/61/89/179306189.db2.gz BIZZAMCVUWYVCZ-UHFFFAOYSA-N 0 0 247.319 2.796 50 0 BFAARN Cc1ccccc1OCCNC(=O)C(C)(C)C ZINC000055954524 179311511 /nfs/dbraw/zinc/31/15/11/179311511.db2.gz WGNHFNXNZMUGCC-UHFFFAOYSA-N 0 0 235.327 2.536 50 0 BFAARN CCSc1nc2ccccc2c(=O)n1CC ZINC000000292430 347973546 /nfs/dbraw/zinc/97/35/46/347973546.db2.gz ZKPZWLZNXSQJES-UHFFFAOYSA-N 0 0 234.324 2.528 50 0 BFAARN Cc1ccccc1[C@H](C)NC(=O)C(C)C ZINC000042162517 179336110 /nfs/dbraw/zinc/33/61/10/179336110.db2.gz ISEUQNJOLAKDIS-NSHDSACASA-N 0 0 205.301 2.828 50 0 BFAARN Cc1ccccc1[C@H]1NC(=O)Cc2ccccc21 ZINC000000435259 179350746 /nfs/dbraw/zinc/35/07/46/179350746.db2.gz RHXWVLGYRAMFHP-MRXNPFEDSA-N 0 0 237.302 2.757 50 0 BFAARN Cc1cccnc1-c1ccnn1C(C)C ZINC000095495982 179357669 /nfs/dbraw/zinc/35/76/69/179357669.db2.gz PYRFXAWSDVDVEG-UHFFFAOYSA-N 0 0 201.273 2.834 50 0 BFAARN Brc1ccc2c(c1)CN(C1CC1)C2 ZINC000203892700 348232428 /nfs/dbraw/zinc/23/24/28/348232428.db2.gz TVDFOHQZQBXSFX-UHFFFAOYSA-N 0 0 238.128 2.927 50 0 BFAARN Cc1cccnc1Cn1ccnc1-c1ccoc1 ZINC000067642871 179386297 /nfs/dbraw/zinc/38/62/97/179386297.db2.gz RURMANCYRSWULT-UHFFFAOYSA-N 0 0 239.278 2.895 50 0 BFAARN Cc1cccnc1NC(=O)/C=C/c1ccco1 ZINC000000973512 179389621 /nfs/dbraw/zinc/38/96/21/179389621.db2.gz BOWOEEWEUSYCHP-VOTSOKGWSA-N 0 0 228.251 2.635 50 0 BFAARN Cc1cccnc1N[C@@H]1OC(=O)c2ccccc21 ZINC000000164880 179396406 /nfs/dbraw/zinc/39/64/06/179396406.db2.gz HRGYUBXMOFMPQO-CYBMUJFWSA-N 0 0 240.262 2.671 50 0 BFAARN Cc1ccn(Cc2ccccc2Cl)c(=O)c1 ZINC000070040295 179410540 /nfs/dbraw/zinc/41/05/40/179410540.db2.gz GJNBCNBZMGOQOW-UHFFFAOYSA-N 0 0 233.698 2.858 50 0 BFAARN Cc1ccn([C@@H](C)CC(=O)Nc2ccccc2)n1 ZINC000020991548 179411411 /nfs/dbraw/zinc/41/14/11/179411411.db2.gz RXPQZJYMWGNTIV-LBPRGKRZSA-N 0 0 243.310 2.781 50 0 BFAARN Cc1ccc2nc(Cl)c(C(C)C)c(=O)n2c1 ZINC000725245922 538005045 /nfs/dbraw/zinc/00/50/45/538005045.db2.gz ZJKSKYPULTXBLU-UHFFFAOYSA-N 0 0 236.702 2.780 50 0 BFAARN Cc1ccnc(OC(F)F)c1Br ZINC000263624776 179462873 /nfs/dbraw/zinc/46/28/73/179462873.db2.gz UBFHFOWKCJGJAL-UHFFFAOYSA-N 0 0 238.031 2.754 50 0 BFAARN Cc1ccoc1C(=O)NCC1CCCCC1 ZINC000032784537 179505134 /nfs/dbraw/zinc/50/51/34/179505134.db2.gz RCGDSVAHEVMANV-UHFFFAOYSA-N 0 0 221.300 2.898 50 0 BFAARN Cc1cc(C)cc(OCCCn2ccnc2)c1 ZINC000005285854 348723711 /nfs/dbraw/zinc/72/37/11/348723711.db2.gz WXRZRIJFWCONEW-UHFFFAOYSA-N 0 0 230.311 2.969 50 0 BFAARN CC(C)c1noc(CN2C[C@@H](C)C[C@H](C)C2)n1 ZINC000040489569 348791227 /nfs/dbraw/zinc/79/12/27/348791227.db2.gz QNDWTSIRDGQICF-QWRGUYRKSA-N 0 0 237.347 2.671 50 0 BFAARN CC(=O)c1ccc(NC(=O)CC(C)C)cc1 ZINC000005384154 187412086 /nfs/dbraw/zinc/41/20/86/187412086.db2.gz VCCOOXHDDPOVCX-UHFFFAOYSA-N 0 0 219.284 2.874 50 0 BFAARN CC(C)[C@@]1(O)c2ccccc2-c2ncccc21 ZINC000000088194 187407150 /nfs/dbraw/zinc/40/71/50/187407150.db2.gz VQGAKSMYTWYVAJ-OAHLLOKOSA-N 0 0 225.291 2.954 50 0 BFAARN CC(=O)Nc1nc2c(cccc2Cl)s1 ZINC000000273542 187408489 /nfs/dbraw/zinc/40/84/89/187408489.db2.gz JAIKFGSDRDEZLU-UHFFFAOYSA-N 0 0 226.688 2.908 50 0 BFAARN Clc1nc2[nH]ccc2c(NC2CCC2)n1 ZINC000115045247 348951621 /nfs/dbraw/zinc/95/16/21/348951621.db2.gz BYJZKZMTGMRTMT-UHFFFAOYSA-N 0 0 222.679 2.576 50 0 BFAARN COc1ccc([C@H](C)NC(=O)C(C)C)cc1 ZINC000012381912 187414445 /nfs/dbraw/zinc/41/44/45/187414445.db2.gz IWVMLIGJOLFVTK-JTQLQIEISA-N 0 0 221.300 2.528 50 0 BFAARN CC(C)(C)c1cc(NC(=O)c2ccncc2)no1 ZINC000012381632 187414932 /nfs/dbraw/zinc/41/49/32/187414932.db2.gz LCLDJWNDAWVITQ-UHFFFAOYSA-N 0 0 245.282 2.619 50 0 BFAARN S=C1N=NC(C23CC4CC(CC(C4)C2)C3)N1 ZINC000015924363 187416571 /nfs/dbraw/zinc/41/65/71/187416571.db2.gz WKRWTBCGOUPNAO-UHFFFAOYSA-N 0 0 235.356 2.561 50 0 BFAARN O=C(CCC1CCCCC1)Nc1ncccn1 ZINC000005705261 349083005 /nfs/dbraw/zinc/08/30/05/349083005.db2.gz DFSHUKBHKYHVTC-UHFFFAOYSA-N 0 0 233.315 2.776 50 0 BFAARN Cc1csc(NC(=O)C[C@H]2C=CCC2)n1 ZINC000010554952 179784578 /nfs/dbraw/zinc/78/45/78/179784578.db2.gz AYNLGJUYYGNMHR-VIFPVBQESA-N 0 0 222.313 2.746 50 0 BFAARN Cc1[nH]nc(N)c1-c1cccc(C(F)(F)F)c1 ZINC000003883286 179835476 /nfs/dbraw/zinc/83/54/76/179835476.db2.gz ZQARVLMZLATKQJ-UHFFFAOYSA-N 0 0 241.216 2.986 50 0 BFAARN Cc1nc(C(C)C)sc1C(=O)NC(C)C ZINC000032924008 179897240 /nfs/dbraw/zinc/89/72/40/179897240.db2.gz HAVAIFWBOUHCPU-UHFFFAOYSA-N 0 0 226.345 2.713 50 0 BFAARN Cc1nc(-c2ccccn2)sc1-c1cc[nH]n1 ZINC000221553739 179869303 /nfs/dbraw/zinc/86/93/03/179869303.db2.gz SZJUKBASQPQMPO-UHFFFAOYSA-N 0 0 242.307 2.904 50 0 BFAARN Cc1cnc(Br)cc1Cl ZINC000035569820 190986606 /nfs/dbraw/zinc/98/66/06/190986606.db2.gz FHYOIILXEIWGCX-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN Cc1nc(C)c(CSC[C@H](C)CO)s1 ZINC000074789399 179913925 /nfs/dbraw/zinc/91/39/25/179913925.db2.gz MOSYHXODDJPACE-SSDOTTSWSA-N 0 0 231.386 2.622 50 0 BFAARN Nc1c[nH]c2cccc(Br)c12 ZINC000082952769 538040948 /nfs/dbraw/zinc/04/09/48/538040948.db2.gz WWIFDRGDMVZDKH-UHFFFAOYSA-N 0 0 211.062 2.513 50 0 BFAARN Cc1nc(CSc2nncs2)cs1 ZINC000003278549 179982240 /nfs/dbraw/zinc/98/22/40/179982240.db2.gz ZTIGZGUMUXXDCQ-UHFFFAOYSA-N 0 0 229.355 2.595 50 0 BFAARN Cc1nc(NC(=O)CSC(C)C)sc1C ZINC000024742227 180007742 /nfs/dbraw/zinc/00/77/42/180007742.db2.gz RXCQHKSKTXARLS-UHFFFAOYSA-N 0 0 244.385 2.840 50 0 BFAARN Cc1nc(SCCCn2ccnc2)oc1C ZINC000097114226 180031814 /nfs/dbraw/zinc/03/18/14/180031814.db2.gz WZKYCDJEOSJGLH-UHFFFAOYSA-N 0 0 237.328 2.670 50 0 BFAARN Cc1nc2cc(Br)ccc2[nH]1 ZINC000000751999 180075464 /nfs/dbraw/zinc/07/54/64/180075464.db2.gz FHDFUQGJYYGLHJ-UHFFFAOYSA-N 0 0 211.062 2.634 50 0 BFAARN Cc1nc2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2o1 ZINC000032752870 180093951 /nfs/dbraw/zinc/09/39/51/180093951.db2.gz ZKSMESAMZDKAQV-XVKPBYJWSA-N 0 0 230.267 2.731 50 0 BFAARN Cc1nc2ccc(NC(=O)c3ccoc3)cc2o1 ZINC000012890209 180094904 /nfs/dbraw/zinc/09/49/04/180094904.db2.gz MBKOUUPJLQBPDG-UHFFFAOYSA-N 0 0 242.234 2.982 50 0 BFAARN Cc1nc2nccc(-c3ccccc3Cl)n2n1 ZINC000057530923 180113929 /nfs/dbraw/zinc/11/39/29/180113929.db2.gz CYJVKECISYDKEB-UHFFFAOYSA-N 0 0 244.685 2.753 50 0 BFAARN Cc1nc2ccccc2nc1CSC[C@H](C)O ZINC000298323742 180103134 /nfs/dbraw/zinc/10/31/34/180103134.db2.gz RNZCVQLVWHXKNJ-VIFPVBQESA-N 0 0 248.351 2.552 50 0 BFAARN CCCCC(=O)N1CCc2ccccc21 ZINC000002741469 168614945 /nfs/dbraw/zinc/61/49/45/168614945.db2.gz NRPGTHVWUBPZNY-UHFFFAOYSA-N 0 0 203.285 2.766 50 0 BFAARN Cc1nc2ccccc2nc1S[C@@H]1CCOC1 ZINC000188293133 180105274 /nfs/dbraw/zinc/10/52/74/180105274.db2.gz LGZNLTSVLPYTBK-SNVBAGLBSA-N 0 0 246.335 2.819 50 0 BFAARN CS[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000031674100 350172536 /nfs/dbraw/zinc/17/25/36/350172536.db2.gz CYAMREBAUKRYEM-VIFPVBQESA-N 0 0 237.324 2.579 50 0 BFAARN Cc1ncc(CN(C)Cc2cscn2)s1 ZINC000048333248 180140441 /nfs/dbraw/zinc/14/04/41/180140441.db2.gz VZWXUKONDJSFJV-UHFFFAOYSA-N 0 0 239.369 2.540 50 0 BFAARN Cc1nc2sc3c(c2c2nncn21)CCCC3 ZINC000000072454 180116741 /nfs/dbraw/zinc/11/67/41/180116741.db2.gz PONPELTUPXRSHB-UHFFFAOYSA-N 0 0 244.323 2.526 50 0 BFAARN Cc1nccc(NCCCOC2CCCC2)n1 ZINC000266398778 180197668 /nfs/dbraw/zinc/19/76/68/180197668.db2.gz PAVUFKULFRUGLL-UHFFFAOYSA-N 0 0 235.331 2.546 50 0 BFAARN Cc1ncccc1CN(C)[C@H](C)c1ccccn1 ZINC000097113660 180219556 /nfs/dbraw/zinc/21/95/56/180219556.db2.gz INLVSMKZFPIIAX-CYBMUJFWSA-N 0 0 241.338 2.978 50 0 BFAARN O=c1c2ccccc2occ1[C@H]1OCCS1 ZINC000005776723 350228204 /nfs/dbraw/zinc/22/82/04/350228204.db2.gz PQWVPNKWIOKNNG-LBPRGKRZSA-N 0 0 234.276 2.555 50 0 BFAARN Cc1ncccc1NC(=O)OC(C)(C)C ZINC000084192705 180225302 /nfs/dbraw/zinc/22/53/02/180225302.db2.gz RQLNGFJNDOYANP-UHFFFAOYSA-N 0 0 208.261 2.737 50 0 BFAARN Cc1cc(C)cc(Nc2ncccc2C(N)=O)c1 ZINC000024970723 350241954 /nfs/dbraw/zinc/24/19/54/350241954.db2.gz GPDGMAAMGBZJPU-UHFFFAOYSA-N 0 0 241.294 2.541 50 0 BFAARN Cc1nccn1CCNc1cccc(Cl)c1 ZINC000049329871 180261103 /nfs/dbraw/zinc/26/11/03/180261103.db2.gz ZZLRTTRIMPVXFQ-UHFFFAOYSA-N 0 0 235.718 2.957 50 0 BFAARN COC(=O)c1c[nH]cc1-c1ccc(Cl)nc1 ZINC000034521973 350266635 /nfs/dbraw/zinc/26/66/35/350266635.db2.gz XCWCKMISWZGDLW-UHFFFAOYSA-N 0 0 236.658 2.517 50 0 BFAARN CC(C)n1c2ccc(Cl)cc2[nH]c1=O ZINC000034520656 350266863 /nfs/dbraw/zinc/26/68/63/350266863.db2.gz CHPSDNSPOGWYMN-UHFFFAOYSA-N 0 0 210.664 2.564 50 0 BFAARN C=CC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000037831696 350287566 /nfs/dbraw/zinc/28/75/66/350287566.db2.gz VLWDVCRXKFMMKW-SNVBAGLBSA-N 0 0 207.298 2.598 50 0 BFAARN Cc1ncsc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000040529533 180304242 /nfs/dbraw/zinc/30/42/42/180304242.db2.gz HGTIFLSSBNVNEZ-IUCAKERBSA-N 0 0 238.356 2.570 50 0 BFAARN CC(C)(C)NC(=O)CSCc1cccs1 ZINC000040460909 350364413 /nfs/dbraw/zinc/36/44/13/350364413.db2.gz SORJITFUEXOBIS-UHFFFAOYSA-N 0 0 243.397 2.896 50 0 BFAARN Cc1ncsc1C(=O)Nc1cccc(F)c1 ZINC000040529064 180307749 /nfs/dbraw/zinc/30/77/49/180307749.db2.gz JXUNODOYZQPXIV-UHFFFAOYSA-N 0 0 236.271 2.843 50 0 BFAARN O=C(CCNc1ccccc1)Nc1cccnc1 ZINC000040494242 350370888 /nfs/dbraw/zinc/37/08/88/350370888.db2.gz AZBXSPQSFVKMRQ-UHFFFAOYSA-N 0 0 241.294 2.522 50 0 BFAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=O ZINC000003208021 180328355 /nfs/dbraw/zinc/32/83/55/180328355.db2.gz YVYLXEJFBVNCRQ-UHFFFAOYSA-N 0 0 238.649 2.786 50 0 BFAARN Cc1nn(-c2ccccc2N)c(C)c1Cl ZINC000012395359 180330303 /nfs/dbraw/zinc/33/03/03/180330303.db2.gz BCDKSCILSZUIBB-UHFFFAOYSA-N 0 0 221.691 2.725 50 0 BFAARN Cn1c2ccccc2nc1SC[C@H]1CCCO1 ZINC000041101298 350412107 /nfs/dbraw/zinc/41/21/07/350412107.db2.gz BFFOZUZBTOKLOB-SNVBAGLBSA-N 0 0 248.351 2.844 50 0 BFAARN CCc1nc(C)c([C@H](C)[N@H+](C)CCOC)s1 ZINC000076040335 362956219 /nfs/dbraw/zinc/95/62/19/362956219.db2.gz RUDJXWYCDLNTSP-JTQLQIEISA-N 0 0 242.388 2.653 50 0 BFAARN Cc1nn(C)c2cc(Br)ccc12 ZINC000036533438 180362126 /nfs/dbraw/zinc/36/21/26/180362126.db2.gz YBDYCDWCUXKYBT-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Cc1nn(C)c2ccc(Br)cc12 ZINC000036533432 180363842 /nfs/dbraw/zinc/36/38/42/180363842.db2.gz FMYUTSXDZFFESE-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN Cc1nn(C)cc1NCc1cc(F)ccc1F ZINC000020354245 180377067 /nfs/dbraw/zinc/37/70/67/180377067.db2.gz HEFVABBKRKDMAN-UHFFFAOYSA-N 0 0 237.253 2.619 50 0 BFAARN Cc1nnc(-c2cncc(N)c2)c2ccccc12 ZINC000216070520 180395587 /nfs/dbraw/zinc/39/55/87/180395587.db2.gz QIACUDUOLWFKNR-UHFFFAOYSA-N 0 0 236.278 2.582 50 0 BFAARN Cc1nnc(CSc2nc3ccccc3[nH]2)o1 ZINC000007342987 180417541 /nfs/dbraw/zinc/41/75/41/180417541.db2.gz OUOUKBWQXQKFRK-UHFFFAOYSA-N 0 0 246.295 2.547 50 0 BFAARN COc1ccc(Cc2ccncc2)cc1OC ZINC000095918177 187456136 /nfs/dbraw/zinc/45/61/36/187456136.db2.gz WPOOPICHJSSEFI-UHFFFAOYSA-N 0 0 229.279 2.690 50 0 BFAARN CCSCC(=O)c1ccccc1OC ZINC000037353218 362968169 /nfs/dbraw/zinc/96/81/69/362968169.db2.gz UANDOAOWTLNPCO-UHFFFAOYSA-N 0 0 210.298 2.631 50 0 BFAARN CC(C)N1CC[C@@H](SC2CCCC2)C1=O ZINC000089870030 187454061 /nfs/dbraw/zinc/45/40/61/187454061.db2.gz CKADDYJYAYCJKA-LLVKDONJSA-N 0 0 227.373 2.672 50 0 BFAARN Cc1nnc([C@H](C)Oc2cccc(C)c2F)o1 ZINC000097054530 180446750 /nfs/dbraw/zinc/44/67/50/180446750.db2.gz LAQDIIVDUHJWOV-QMMMGPOBSA-N 0 0 236.246 2.966 50 0 BFAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)C(C)C ZINC000035511208 180479440 /nfs/dbraw/zinc/47/94/40/180479440.db2.gz WHNGKSLVMBAQEO-LLVKDONJSA-N 0 0 236.315 2.611 50 0 BFAARN CCc1cccc(CC)c1NC(=O)NC ZINC000000397178 191117070 /nfs/dbraw/zinc/11/70/70/191117070.db2.gz XXKQOZLWPHOBAL-UHFFFAOYSA-N 0 0 206.289 2.563 50 0 BFAARN CCOc1cccc2sc(NC(C)=O)nc21 ZINC000003108312 187469503 /nfs/dbraw/zinc/46/95/03/187469503.db2.gz ZRRYODWOAZYWLW-UHFFFAOYSA-N 0 0 236.296 2.653 50 0 BFAARN CCCC[C@@H](C)C(=O)Nc1ccnc(C)n1 ZINC000253395464 350922017 /nfs/dbraw/zinc/92/20/17/350922017.db2.gz LRFFGMDWAKRTFY-SECBINFHSA-N 0 0 221.304 2.550 50 0 BFAARN COC(=O)NCc1cc2cc(Cl)ccc2[nH]1 ZINC000001054476 350990970 /nfs/dbraw/zinc/99/09/70/350990970.db2.gz QRTRNLVWHLPBJY-UHFFFAOYSA-N 0 0 238.674 2.677 50 0 BFAARN Clc1cc(Br)cn2ccnc12 ZINC000035270097 180574853 /nfs/dbraw/zinc/57/48/53/180574853.db2.gz FYUCIRHQXQEOJW-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN Cc1cc(O)ccc1NC(=O)C(C)(C)C ZINC000011639035 187477348 /nfs/dbraw/zinc/47/73/48/187477348.db2.gz QOXXBMRDGHEEGS-UHFFFAOYSA-N 0 0 207.273 2.685 50 0 BFAARN Clc1cnc2ccc(Br)cn12 ZINC000084424534 180598536 /nfs/dbraw/zinc/59/85/36/180598536.db2.gz MFWMBCKAGFPRTN-UHFFFAOYSA-N 0 0 231.480 2.750 50 0 BFAARN Clc1ncc(Br)c2cc[nH]c21 ZINC000034606582 180601719 /nfs/dbraw/zinc/60/17/19/180601719.db2.gz PIXLSAWNYQEIJG-UHFFFAOYSA-N 0 0 231.480 2.979 50 0 BFAARN Clc1cccnc1N1CC(c2cccnc2)C1 ZINC000072151357 180596035 /nfs/dbraw/zinc/59/60/35/180596035.db2.gz OMKWDTNGJVZQNJ-UHFFFAOYSA-N 0 0 245.713 2.734 50 0 BFAARN Cn1c2ccncc2nc1-c1ccccc1 ZINC000000290025 180607724 /nfs/dbraw/zinc/60/77/24/180607724.db2.gz LBSXBFVRCAUUDK-UHFFFAOYSA-N 0 0 209.252 2.635 50 0 BFAARN CC(C)[N@@H+]1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000213711900 363077398 /nfs/dbraw/zinc/07/73/98/363077398.db2.gz QAMXOKNAYKAQQF-AWEZNQCLSA-N 0 0 247.338 2.973 50 0 BFAARN C[C@@H](C1CC1)N(C(=O)c1ccncc1F)C1CC1 ZINC000096420473 191141859 /nfs/dbraw/zinc/14/18/59/191141859.db2.gz JSHQMARPCQMMCQ-VIFPVBQESA-N 0 0 248.301 2.624 50 0 BFAARN CCc1[nH]nc(N[C@H](C)c2cccnc2)c1C ZINC000096494883 191142101 /nfs/dbraw/zinc/14/21/01/191142101.db2.gz YRABFCDFOZIVPI-SNVBAGLBSA-N 0 0 230.315 2.849 50 0 BFAARN C[C@@H](C1CC1)N(C)c1ncnc2sccc21 ZINC000012552870 352129505 /nfs/dbraw/zinc/12/95/05/352129505.db2.gz FDQLCOORJAVABE-QMMMGPOBSA-N 0 0 233.340 2.926 50 0 BFAARN Cn1cccc1C(=O)c1ccc(Cl)cc1 ZINC000000851946 180724056 /nfs/dbraw/zinc/72/40/56/180724056.db2.gz YMRVZQVZCQCKMZ-UHFFFAOYSA-N 0 0 219.671 2.910 50 0 BFAARN O=Cc1ccc(-c2ccc(F)c(F)c2F)cn1 ZINC000725271928 538103471 /nfs/dbraw/zinc/10/34/71/538103471.db2.gz KMXRQISZUYFLSH-UHFFFAOYSA-N 0 0 237.180 2.978 50 0 BFAARN Cc1cnc(NC(=O)c2cc(Cl)c[nH]2)s1 ZINC000044872348 352469984 /nfs/dbraw/zinc/46/99/84/352469984.db2.gz YWGVYQIAHJYKQK-UHFFFAOYSA-N 0 0 241.703 2.685 50 0 BFAARN CC(=O)CSc1ccc(F)cc1F ZINC000035013549 187741135 /nfs/dbraw/zinc/74/11/35/187741135.db2.gz MHRJHWZUJHESEP-UHFFFAOYSA-N 0 0 202.225 2.646 50 0 BFAARN Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)on1 ZINC000045082181 352564441 /nfs/dbraw/zinc/56/44/41/352564441.db2.gz YSMXNWHZMCBZDH-GXSJLCMTSA-N 0 0 236.315 2.634 50 0 BFAARN CC(C)CO[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000040521096 187774496 /nfs/dbraw/zinc/77/44/96/187774496.db2.gz HTAKQRWIYDYUKA-STQMWFEESA-N 0 0 249.354 2.925 50 0 BFAARN CN(C(=O)Cc1ccsc1)c1ccccc1 ZINC000046469371 187778891 /nfs/dbraw/zinc/77/88/91/187778891.db2.gz KSHLULCYOATWFZ-UHFFFAOYSA-N 0 0 231.320 2.954 50 0 BFAARN CC(C)[C@H](CCN1C(=O)CCC1=O)c1ccco1 ZINC000000489317 187811623 /nfs/dbraw/zinc/81/16/23/187811623.db2.gz YVFGGOUYIUZARZ-NSHDSACASA-N 0 0 249.310 2.558 50 0 biogenic BFAARN Cn1ncnc1[C@]1(c2ccccc2F)CC1(C)C ZINC000091551529 180858186 /nfs/dbraw/zinc/85/81/86/180858186.db2.gz YVDHXSLFNKBULI-CQSZACIVSA-N 0 0 245.301 2.670 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)Nc1nc2ccccc2s1 ZINC000012921719 188105427 /nfs/dbraw/zinc/10/54/27/188105427.db2.gz FHJQNQMNXFCJJM-SFYZADRCSA-N 0 0 232.308 2.891 50 0 BFAARN CC1(C)OC(=O)N2CCc3ccccc3[C@]21C ZINC000000139765 188098509 /nfs/dbraw/zinc/09/85/09/188098509.db2.gz KNBXITQUNJWIRE-AWEZNQCLSA-N 0 0 231.295 2.689 50 0 BFAARN CC(=O)Nc1cccc2c1-c1ccccc1C2=O ZINC000000156212 188099017 /nfs/dbraw/zinc/09/90/17/188099017.db2.gz BDYZWJVQPFNPBV-UHFFFAOYSA-N 0 0 237.258 2.856 50 0 BFAARN CCC1=NC(=S)N[C@@H](c2ccccc2)C1C ZINC000000128239 188099074 /nfs/dbraw/zinc/09/90/74/188099074.db2.gz SELDAKJWYJEBBF-GFCCVEGCSA-N 0 0 232.352 2.889 50 0 BFAARN COc1ccc(C(=O)c2cccs2)cc1 ZINC000000119788 188099095 /nfs/dbraw/zinc/09/90/95/188099095.db2.gz KYVBFEMQEUXVQB-UHFFFAOYSA-N 0 0 218.277 2.988 50 0 BFAARN C/C=C/C(=O)N(CC)c1ccccc1C ZINC000000056427 188099155 /nfs/dbraw/zinc/09/91/55/188099155.db2.gz DNTGGZPQPQTDQF-XBXARRHUSA-N 0 0 203.285 2.924 50 0 fda BFAARN CC(=O)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000000087544 188099194 /nfs/dbraw/zinc/09/91/94/188099194.db2.gz HLMZZYYGOKOOTA-UHFFFAOYSA-N 0 0 246.093 2.911 50 0 BFAARN CC(=O)Nc1cc(Cl)ccc1Cl ZINC000000394183 188099526 /nfs/dbraw/zinc/09/95/26/188099526.db2.gz ICZFWTSENFTULW-UHFFFAOYSA-N 0 0 204.056 2.952 50 0 BFAARN CC(=O)CSc1nnc(-c2ccc(C)cc2)o1 ZINC000000617114 188100184 /nfs/dbraw/zinc/10/01/84/188100184.db2.gz IPUCXZCFBHAEHS-UHFFFAOYSA-N 0 0 248.307 2.726 50 0 BFAARN C1CCC(Nc2nnnn2C2CCCCC2)CC1 ZINC000002473038 188100892 /nfs/dbraw/zinc/10/08/92/188100892.db2.gz OUHRGNZCIPEWCP-UHFFFAOYSA-N 0 0 249.362 2.923 50 0 BFAARN O=c1oc2ccccc2n1Cc1cccc(F)c1 ZINC000006759080 188102998 /nfs/dbraw/zinc/10/29/98/188102998.db2.gz ZDNHFIQHGYWQLP-UHFFFAOYSA-N 0 0 243.237 2.782 50 0 BFAARN CC1(C)Cc2nc(Cl)ccc2[C@@H](O)C1 ZINC000011919790 188104974 /nfs/dbraw/zinc/10/49/74/188104974.db2.gz PLZSQKSUSQGCJR-VIFPVBQESA-N 0 0 211.692 2.741 50 0 BFAARN CC(=O)C(=C(C)O)C12CC3CC(CC(C3)C1)C2 ZINC000012363988 188105211 /nfs/dbraw/zinc/10/52/11/188105211.db2.gz QYCOSPWVQKZONV-UHFFFAOYSA-N 0 0 234.339 2.997 50 0 BFAARN COc1ccccc1CSc1nccn1C ZINC000016382649 188106984 /nfs/dbraw/zinc/10/69/84/188106984.db2.gz HEBWQYMIZUHBPV-UHFFFAOYSA-N 0 0 234.324 2.721 50 0 BFAARN CCc1ccc(OCCN2COC(C)(C)C2)cc1 ZINC000020445259 188108531 /nfs/dbraw/zinc/10/85/31/188108531.db2.gz DTHYJSSGZFQCDI-UHFFFAOYSA-N 0 0 249.354 2.696 50 0 BFAARN O=C(NC(C1CC1)C1CC1)c1ccccc1 ZINC000029383209 188110333 /nfs/dbraw/zinc/11/03/33/188110333.db2.gz ZFDVHDWMZZOIAG-UHFFFAOYSA-N 0 0 215.296 2.605 50 0 BFAARN CC(O)=CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000026514751 188110397 /nfs/dbraw/zinc/11/03/97/188110397.db2.gz WXIPGNOIXHPGGJ-UHFFFAOYSA-N 0 0 220.312 2.751 50 0 BFAARN CC(=O)N1CC2(CCCC2)c2ccccc21 ZINC000033754865 188110995 /nfs/dbraw/zinc/11/09/95/188110995.db2.gz WWXGSKCMGUTIOD-UHFFFAOYSA-N 0 0 215.296 2.865 50 0 BFAARN Cc1cc2cn(C)nc2cc1Br ZINC000036533462 188112540 /nfs/dbraw/zinc/11/25/40/188112540.db2.gz IWQKNWIRYSQPQG-UHFFFAOYSA-N 0 0 225.089 2.644 50 0 BFAARN CC(=O)N(CCc1ccccc1)c1ccncc1 ZINC000075260647 188115736 /nfs/dbraw/zinc/11/57/36/188115736.db2.gz ABLRJDDFBBOPCR-UHFFFAOYSA-N 0 0 240.306 2.677 50 0 BFAARN CC(C)CO[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000040521102 188117858 /nfs/dbraw/zinc/11/78/58/188117858.db2.gz HTAKQRWIYDYUKA-CHWSQXEVSA-N 0 0 249.354 2.925 50 0 BFAARN CC(C)=CC(=O)N[C@H](C)c1cccs1 ZINC000040459864 188118123 /nfs/dbraw/zinc/11/81/23/188118123.db2.gz MPLOQPUUHGIEMN-SECBINFHSA-N 0 0 209.314 2.892 50 0 BFAARN CCc1cc(Br)cc(C(C)=O)c1O ZINC000082307723 188119380 /nfs/dbraw/zinc/11/93/80/188119380.db2.gz BHRKRLBGVYFTNG-UHFFFAOYSA-N 0 0 243.100 2.920 50 0 BFAARN CC(C)C[C@@H](C)N(C)C(=O)Cc1cccc(O)c1 ZINC000042592636 188120782 /nfs/dbraw/zinc/12/07/82/188120782.db2.gz CPUQJGMJVZUTIH-GFCCVEGCSA-N 0 0 249.354 2.828 50 0 BFAARN CCCc1cc(C(=O)N(CCC)CCC)[nH]n1 ZINC000044007210 188122673 /nfs/dbraw/zinc/12/26/73/188122673.db2.gz MZGKXDKBEJFJHQ-UHFFFAOYSA-N 0 0 237.347 2.624 50 0 BFAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@H]1C=CC(=O)O1 ZINC000016036016 188105667 /nfs/dbraw/zinc/10/56/67/188105667.db2.gz URWJVUPZIGIVFZ-OWTLIXCDSA-N 0 0 238.327 2.903 50 0 BFAARN Cc1ccc(CC(=O)NCC(C)C)cc1C ZINC000013678385 188105924 /nfs/dbraw/zinc/10/59/24/188105924.db2.gz INMXOLAVOLTWKJ-UHFFFAOYSA-N 0 0 219.328 2.618 50 0 BFAARN CC(C)[C@H]1CC(=O)CCN1C(=O)OC(C)(C)C ZINC000016125324 188106396 /nfs/dbraw/zinc/10/63/96/188106396.db2.gz GEHRUAIXGSWYPC-LLVKDONJSA-N 0 0 241.331 2.611 50 0 BFAARN CC(=O)Nc1cc(F)c(Br)cc1C ZINC000089157361 188144561 /nfs/dbraw/zinc/14/45/61/188144561.db2.gz KCEWAUIVDCPPQJ-UHFFFAOYSA-N 0 0 246.079 2.855 50 0 BFAARN Cc1ccnc(C(=O)c2ccc(F)c(F)c2)c1 ZINC000045028631 188124042 /nfs/dbraw/zinc/12/40/42/188124042.db2.gz QPGBVDPKDQKGOM-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN CC(C)(C)OC(=O)N[C@H]1CC(=O)c2ccccc21 ZINC000095347709 188145584 /nfs/dbraw/zinc/14/55/84/188145584.db2.gz CQKDQPYPULKMBT-NSHDSACASA-N 0 0 247.294 2.839 50 0 BFAARN CC(C)(C)c1n[nH]cc1CNCc1ccco1 ZINC000048707791 188124415 /nfs/dbraw/zinc/12/44/15/188124415.db2.gz GDFXVBIMXIPMLP-UHFFFAOYSA-N 0 0 233.315 2.590 50 0 BFAARN CC(C)CC(=O)N(C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000052514027 188126253 /nfs/dbraw/zinc/12/62/53/188126253.db2.gz INBVDWVAPFBTHE-IUODEOHRSA-N 0 0 249.354 2.613 50 0 BFAARN CC(C)(C)c1ccc2c(c1)NC(=O)CC2 ZINC000057937902 188127812 /nfs/dbraw/zinc/12/78/12/188127812.db2.gz WAKKIQWNGHJSJD-UHFFFAOYSA-N 0 0 203.285 2.869 50 0 BFAARN CCc1cnccc1C(=O)OC1CCCC1 ZINC000095467989 188145709 /nfs/dbraw/zinc/14/57/09/188145709.db2.gz AGCFFQJHLINWCT-UHFFFAOYSA-N 0 0 219.284 2.743 50 0 BFAARN CCCCCNC(=O)c1ccc2c(c1)CCO2 ZINC000045115025 168713224 /nfs/dbraw/zinc/71/32/24/168713224.db2.gz COFBHZSZJUGCAE-UHFFFAOYSA-N 0 0 233.311 2.542 50 0 BFAARN CC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084209482 188143202 /nfs/dbraw/zinc/14/32/02/188143202.db2.gz DHRMWOOBTXWVFK-UHFFFAOYSA-N 0 0 244.121 2.898 50 0 BFAARN CC(=O)OC[C@]12CO[C@@H](C)[C@H](C1)C(C)=C[C@@H]2C ZINC000005533124 188157664 /nfs/dbraw/zinc/15/76/64/188157664.db2.gz FLTREWUZEUGCGE-CDGCEXEKSA-N 0 0 238.327 2.557 50 0 biogenic BFAARN CC1(C)O[C@H]2C(Br)=CCC[C@@H]2O1 ZINC000006202190 188157898 /nfs/dbraw/zinc/15/78/98/188157898.db2.gz BNLUNMGTGCQECR-YUMQZZPRSA-N 0 0 233.105 2.579 50 0 BFAARN Cc1ccc(NCC2(C)CCOCC2)c(C)n1 ZINC000158725807 188158079 /nfs/dbraw/zinc/15/80/79/188158079.db2.gz JZUNJUWGKQUMHU-UHFFFAOYSA-N 0 0 234.343 2.927 50 0 BFAARN C/C=C/c1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000012343378 188164121 /nfs/dbraw/zinc/16/41/21/188164121.db2.gz LVTSHDUJUWLXHQ-AATRIKPKSA-N 0 0 235.327 2.669 50 0 BFAARN CCc1cnc(C)c(Br)c1 ZINC000098090979 188148954 /nfs/dbraw/zinc/14/89/54/188148954.db2.gz PMSRSAOKYKLVOT-UHFFFAOYSA-N 0 0 200.079 2.715 50 0 BFAARN CC(C)CSc1nc2ccccc2c(=O)[nH]1 ZINC000097073447 188149068 /nfs/dbraw/zinc/14/90/68/188149068.db2.gz CFBSDGJEFPIIGB-UHFFFAOYSA-N 0 0 234.324 2.671 50 0 BFAARN CC(=O)N(C)C[C@@H]1[C@H](C)C=C(C)C[C@@H]1C ZINC000222237213 188180470 /nfs/dbraw/zinc/18/04/70/188180470.db2.gz COCCDELCQAVHHZ-NTZNESFSSA-N 0 0 209.333 2.703 50 0 BFAARN CC(C)=CC(=O)N[C@@H](C)c1cccc(F)c1 ZINC000033028247 188182459 /nfs/dbraw/zinc/18/24/59/188182459.db2.gz AHDPCMLOXSTVOZ-JTQLQIEISA-N 0 0 221.275 2.969 50 0 BFAARN FC(F)Oc1cnccc1C(F)(F)F ZINC000263624919 180908389 /nfs/dbraw/zinc/90/83/89/180908389.db2.gz VEWDSJUAZZCOAX-UHFFFAOYSA-N 0 0 213.105 2.702 50 0 BFAARN CC(=O)N1CCC[C@H](COc2cccc(C)c2)C1 ZINC000062555680 188185757 /nfs/dbraw/zinc/18/57/57/188185757.db2.gz NDYJQEDNRTUERW-AWEZNQCLSA-N 0 0 247.338 2.632 50 0 BFAARN CC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1 ZINC000096104042 188189045 /nfs/dbraw/zinc/18/90/45/188189045.db2.gz IISKMROBQGATIY-UHFFFAOYSA-N 0 0 247.342 2.512 50 0 BFAARN CC(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000098016171 188191107 /nfs/dbraw/zinc/19/11/07/188191107.db2.gz SEKHUWTVFSHTMC-UHFFFAOYSA-N 0 0 224.691 2.873 50 0 BFAARN NC(=S)NNc1ccccc1-c1ccccc1 ZINC000001392581 353358731 /nfs/dbraw/zinc/35/87/31/353358731.db2.gz DCGWTYBCLPRZOE-UHFFFAOYSA-N 0 0 243.335 2.514 50 0 BFAARN CC1(C)C[C@H](O)[C@@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3 ZINC000001410179 353424846 /nfs/dbraw/zinc/42/48/46/353424846.db2.gz BWXJQHJHGMZLBT-CUZKYEQNSA-N 0 0 238.371 2.725 50 0 BFAARN FC(F)[C@H]1C[C@@H](c2ccco2)Nc2ccnn21 ZINC000002783359 353478035 /nfs/dbraw/zinc/47/80/35/353478035.db2.gz HMUFMRKIUCOGLX-JGVFFNPUSA-N 0 0 239.225 2.839 50 0 BFAARN Fc1ccc(NCc2ccccc2F)cn1 ZINC000095431155 180977544 /nfs/dbraw/zinc/97/75/44/180977544.db2.gz BRKRNNQRCPIZEX-UHFFFAOYSA-N 0 0 220.222 2.972 50 0 BFAARN Nc1cccc(Oc2cccc(N)c2)c1 ZINC000005161793 353560982 /nfs/dbraw/zinc/56/09/82/353560982.db2.gz LXJLFVRAWOOQDR-UHFFFAOYSA-N 0 0 200.241 2.643 50 0 BFAARN C=Cc1ccc(I)cc1 ZINC000002507826 188455942 /nfs/dbraw/zinc/45/59/42/188455942.db2.gz KWHSBYQFELZKKS-UHFFFAOYSA-N 0 0 230.048 2.934 50 0 BFAARN C1=CC[C@H]2CN(c3nc(C4CC4)ns3)C[C@@H]2C1 ZINC000089598202 188450970 /nfs/dbraw/zinc/45/09/70/188450970.db2.gz XLIZNSJDJQDVLO-QWRGUYRKSA-N 0 0 247.367 2.818 50 0 BFAARN CC(=O)c1ccc(NC(=O)c2cccnc2)cc1 ZINC000000035842 188452841 /nfs/dbraw/zinc/45/28/41/188452841.db2.gz YIWLVFFTMWIVIJ-UHFFFAOYSA-N 0 0 240.262 2.537 50 0 BFAARN COc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000000187472 188453031 /nfs/dbraw/zinc/45/30/31/188453031.db2.gz JFRWTFVXZCJZKV-UHFFFAOYSA-N 0 0 207.273 2.680 50 0 BFAARN CC(=O)S[C@H](C)CC(=O)Nc1ccccc1 ZINC000000281163 188453037 /nfs/dbraw/zinc/45/30/37/188453037.db2.gz SBKPZDCRFAMXOV-SECBINFHSA-N 0 0 237.324 2.683 50 0 BFAARN Oc1ccc(SCc2noc(C3CC3)n2)cc1 ZINC000042374119 188476458 /nfs/dbraw/zinc/47/64/58/188476458.db2.gz YBRPJHBMALUUHW-UHFFFAOYSA-N 0 0 248.307 2.945 50 0 BFAARN Fc1cccc(CNCc2ccco2)c1 ZINC000000268556 180997735 /nfs/dbraw/zinc/99/77/35/180997735.db2.gz AFHNQIFVWMDQAM-UHFFFAOYSA-N 0 0 205.232 2.709 50 0 BFAARN CC(C)(C)OC(=O)n1ccc2cnccc21 ZINC000059727038 188485409 /nfs/dbraw/zinc/48/54/09/188485409.db2.gz PKYJYPDHSCLTJO-UHFFFAOYSA-N 0 0 218.256 2.820 50 0 BFAARN Fc1cccc(NCc2ccccc2)n1 ZINC000040711883 181001628 /nfs/dbraw/zinc/00/16/28/181001628.db2.gz DYIOCCJMCWFULQ-UHFFFAOYSA-N 0 0 202.232 2.833 50 0 BFAARN CC(C)N(C(=O)[C@@H]1C[C@@H]1c1cccnc1)C1CC1 ZINC000095957233 188500655 /nfs/dbraw/zinc/50/06/55/188500655.db2.gz GBCHQCSAPQYIKD-ZIAGYGMSSA-N 0 0 244.338 2.585 50 0 BFAARN CCc1[nH]nc(N[C@@H](C)C2CCOCC2)c1C ZINC000097037940 188502266 /nfs/dbraw/zinc/50/22/66/188502266.db2.gz TXFOLKQIBFTATH-JTQLQIEISA-N 0 0 237.347 2.508 50 0 BFAARN Cc1cc([C@H](C)NC(=O)N2CCC2)c(C)s1 ZINC000046601752 353800157 /nfs/dbraw/zinc/80/01/57/353800157.db2.gz JWDXVQMZTLBMRW-VIFPVBQESA-N 0 0 238.356 2.841 50 0 BFAARN Fc1cnc(Cl)c(Br)c1 ZINC000002384092 181016922 /nfs/dbraw/zinc/01/69/22/181016922.db2.gz NKUUDYHEWVWETB-UHFFFAOYSA-N 0 0 210.433 2.637 50 0 BFAARN N#CNC(=N)Cc1ccc(Cl)c(Cl)c1 ZINC000019207386 181053578 /nfs/dbraw/zinc/05/35/78/181053578.db2.gz FPJZOLMBOBRFFS-UHFFFAOYSA-N 0 0 228.082 2.584 50 0 BFAARN c1coc(CNc2ncnc3ccsc32)c1 ZINC000037375032 363294604 /nfs/dbraw/zinc/29/46/04/363294604.db2.gz SLZJHIDLVBIJRE-UHFFFAOYSA-N 0 0 231.280 2.896 50 0 BFAARN CCCCN(C)C(=O)Nc1ccccc1 ZINC000002170958 363336628 /nfs/dbraw/zinc/33/66/28/363336628.db2.gz GRSHVAMFUWCDMY-UHFFFAOYSA-N 0 0 206.289 2.950 50 0 BFAARN Cc1ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)cn1 ZINC000032788230 354580680 /nfs/dbraw/zinc/58/06/80/354580680.db2.gz CFCMDJONDZQAJP-NSHDSACASA-N 0 0 234.343 2.897 50 0 BFAARN CSCCCN(C)C(=O)N[C@@H](C)C(C)(C)C ZINC000252492112 363442625 /nfs/dbraw/zinc/44/26/25/363442625.db2.gz MDDNTAQWUCJFSF-JTQLQIEISA-N 0 0 246.420 2.816 50 0 BFAARN Cc1ccc(NC(=O)N2CCCC2)c(F)c1 ZINC000040526219 358494111 /nfs/dbraw/zinc/49/41/11/358494111.db2.gz SSGRVUUDFMKOLO-UHFFFAOYSA-N 0 0 222.263 2.762 50 0 BFAARN COc1cc(C(F)(F)F)nc(OC)c1Cl ZINC000047218603 355367613 /nfs/dbraw/zinc/36/76/13/355367613.db2.gz FIVHVKVENKSHAT-UHFFFAOYSA-N 0 0 241.596 2.771 50 0 BFAARN CC(C)CCCN(C)C(=O)c1c[nH]nc1C1CC1 ZINC000252498463 363451117 /nfs/dbraw/zinc/45/11/17/363451117.db2.gz RCRJYWRRGMJIFZ-UHFFFAOYSA-N 0 0 249.358 2.795 50 0 BFAARN CCCCC[C@H](O)[C@@H](CO)CCCC ZINC000001655726 168746024 /nfs/dbraw/zinc/74/60/24/168746024.db2.gz KBGFEZLHKQYIPE-NEPJUHHUSA-N 0 0 202.338 2.726 50 0 BFAARN N=C1c2ccccc2CN1c1cccc(O)c1 ZINC000000188311 181207498 /nfs/dbraw/zinc/20/74/98/181207498.db2.gz SBYHXSFJGWSGMT-UHFFFAOYSA-N 0 0 224.263 2.738 50 0 BFAARN Cc1ccc(CNC(=O)CCC2CCCC2)cn1 ZINC000047557033 355766880 /nfs/dbraw/zinc/76/68/80/355766880.db2.gz MWGNDTZNAZDORB-UHFFFAOYSA-N 0 0 246.354 2.977 50 0 BFAARN COC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC000001460001 355770512 /nfs/dbraw/zinc/77/05/12/355770512.db2.gz QHQUWEFJPVQGQP-JTQLQIEISA-N 0 0 230.263 2.780 50 0 BFAARN N=c1nc2n(c3ccccc13)Cc1ccccc1-2 ZINC000004882188 181211905 /nfs/dbraw/zinc/21/19/05/181211905.db2.gz HBYRHHGDEUAQHL-UHFFFAOYSA-N 0 0 233.274 2.544 50 0 BFAARN Cc1ccc(CNC(=O)c2ccoc2)cc1F ZINC000012977625 355839536 /nfs/dbraw/zinc/83/95/36/355839536.db2.gz XYZDSHJTBGDKJZ-UHFFFAOYSA-N 0 0 233.242 2.657 50 0 BFAARN CCN(Cc1ccccc1)C(=O)c1ccoc1 ZINC000053275718 355914506 /nfs/dbraw/zinc/91/45/06/355914506.db2.gz GTQANCJGRKQPEM-UHFFFAOYSA-N 0 0 229.279 2.942 50 0 BFAARN O=C1NC(=O)C(=C2CCCCCC2)S1 ZINC000017028215 355883945 /nfs/dbraw/zinc/88/39/45/355883945.db2.gz NOFNRBSDKVIKFE-UHFFFAOYSA-N 0 0 211.286 2.578 50 0 BFAARN CCN1c2ccccc2N=C(C)CC1=O ZINC000100898116 355944594 /nfs/dbraw/zinc/94/45/94/355944594.db2.gz MKPHFQQOSJZPQD-UHFFFAOYSA-N 0 0 202.257 2.536 50 0 BFAARN NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000000435770 181260376 /nfs/dbraw/zinc/26/03/76/181260376.db2.gz FEUKXAYBBVOZJE-AWEZNQCLSA-N 0 0 240.306 2.639 50 0 BFAARN Cc1ccc(NC(=O)OC(C)(C)C)c(N)c1 ZINC000002547919 356367119 /nfs/dbraw/zinc/36/71/19/356367119.db2.gz XNPUCPSCDSDLKP-UHFFFAOYSA-N 0 0 222.288 2.924 50 0 BFAARN CON(C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000000401894 356358666 /nfs/dbraw/zinc/35/86/66/356358666.db2.gz OXLNSNBYZCMIPL-UHFFFAOYSA-N 0 0 228.679 2.674 50 0 BFAARN C1COC2(CCC3C4CSCC3C4CC2)O1 ZINC000038590715 356370809 /nfs/dbraw/zinc/37/08/09/356370809.db2.gz PSYWPGLGRZBUFS-UHFFFAOYSA-N 0 0 240.368 2.529 50 0 BFAARN CC(=O)OC[C@@]12CO[C@@H](C)[C@@H](C1)C(C)=C[C@H]2C ZINC000003159793 356428171 /nfs/dbraw/zinc/42/81/71/356428171.db2.gz FLTREWUZEUGCGE-XWUBHJNHSA-N 0 0 238.327 2.557 50 0 BFAARN NC(=O)[C@H](c1ccccc1)C1CCCCC1 ZINC000004105284 181277915 /nfs/dbraw/zinc/27/79/15/181277915.db2.gz AWZQYZNWDPTGOT-CYBMUJFWSA-N 0 0 217.312 2.836 50 0 BFAARN O=C(CC1CC(F)(F)C1)N[C@H]1CC=CCC1 ZINC000336209090 134133743 /nfs/dbraw/zinc/13/37/43/134133743.db2.gz KGBZKEYZXFQTDR-JTQLQIEISA-N 0 0 229.270 2.647 50 0 BFAARN Nc1cc(CCc2c(F)cccc2Cl)[nH]n1 ZINC000041282679 363525203 /nfs/dbraw/zinc/52/52/03/363525203.db2.gz JTASUOXPIGVTIX-UHFFFAOYSA-N 0 0 239.681 2.570 50 0 BFAARN CC(C)(C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012932924 356660689 /nfs/dbraw/zinc/66/06/89/356660689.db2.gz SZHGAMIFNIVOKR-UHFFFAOYSA-N 0 0 249.310 2.833 50 0 BFAARN CSc1nnc(C)n1C1CCCCC1 ZINC000009053407 538539409 /nfs/dbraw/zinc/53/94/09/538539409.db2.gz YVNMUYQCJSXXTD-UHFFFAOYSA-N 0 0 211.334 2.814 50 0 BFAARN CCc1c(-c2ccccc2)nc2cnccn21 ZINC000129554259 538577745 /nfs/dbraw/zinc/57/77/45/538577745.db2.gz NEDBMVMWTMOMKO-UHFFFAOYSA-N 0 0 223.279 2.959 50 0 BFAARN CN(C(=O)C1CC1)C1CCCCCCC1 ZINC000089334965 538579107 /nfs/dbraw/zinc/57/91/07/538579107.db2.gz OPUCGFMXYWUISZ-UHFFFAOYSA-N 0 0 209.333 2.968 50 0 BFAARN O=C(C1CCCCC1)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000089818212 538584456 /nfs/dbraw/zinc/58/44/56/538584456.db2.gz IZTVYDGUJWZZON-KBPBESRZSA-N 0 0 233.355 2.991 50 0 BFAARN CC(=O)N[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000095401755 538606570 /nfs/dbraw/zinc/60/65/70/538606570.db2.gz GTIZHCUTGLWZLL-SECBINFHSA-N 0 0 209.264 2.640 50 0 BFAARN CC1(C)C[C@H]([NH2+][C@@H]2CCOC2)c2ccccc21 ZINC000095983720 538614159 /nfs/dbraw/zinc/61/41/59/538614159.db2.gz UVCYJXMOPGBZSQ-RISCZKNCSA-N 0 0 231.339 2.788 50 0 BFAARN CC(=O)CCSc1nc2ccccc2o1 ZINC000006186097 356795776 /nfs/dbraw/zinc/79/57/76/356795776.db2.gz CHFNXNLUXGFTOM-UHFFFAOYSA-N 0 0 221.281 2.899 50 0 BFAARN CC(C)c1cccc(NC(=O)c2cnccn2)c1 ZINC000011868781 538717398 /nfs/dbraw/zinc/71/73/98/538717398.db2.gz VGVBHAQXAOBGFC-UHFFFAOYSA-N 0 0 241.294 2.852 50 0 BFAARN CC(=O)[C@@]1(c2ccccc2)CCCCC1=O ZINC000075260241 356926699 /nfs/dbraw/zinc/92/66/99/356926699.db2.gz JZJALSLDDLQAID-CQSZACIVSA-N 0 0 216.280 2.657 50 0 BFAARN COC(=O)C1OC=C(c2ccc(F)cc2)O1 ZINC000075272645 356933267 /nfs/dbraw/zinc/93/32/67/356933267.db2.gz CVIDTIIMEJLNHL-KHPPLWFESA-N 0 0 224.187 2.502 50 0 BFAARN O=C1C=NN=CN(c2ccc(Cl)cc2)C1 ZINC000075279774 356938558 /nfs/dbraw/zinc/93/85/58/356938558.db2.gz VAXZTVNYQBXQMT-UHFFFAOYSA-N 0 0 221.647 2.574 50 0 BFAARN CSc1nc2ccc(NC(C)=O)cc2s1 ZINC000001573691 356968548 /nfs/dbraw/zinc/96/85/48/356968548.db2.gz BEPYUFQKUWBKDI-UHFFFAOYSA-N 0 0 238.337 2.977 50 0 BFAARN Nc1cc(-c2cc3c(s2)CCCC3)[nH]n1 ZINC000019689512 356987574 /nfs/dbraw/zinc/98/75/74/356987574.db2.gz JMAXDJFWKLETQI-UHFFFAOYSA-N 0 0 219.313 2.599 50 0 BFAARN Cc1ccc(O)c(F)c1Br ZINC000261494111 491106872 /nfs/dbraw/zinc/10/68/72/491106872.db2.gz QDYVLIDJJDWKEP-UHFFFAOYSA-N 0 0 205.026 2.602 50 0 BFAARN O=C(C1CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000012953342 538778036 /nfs/dbraw/zinc/77/80/36/538778036.db2.gz JEEWWSZOQQMYRG-CMPLNLGQSA-N 0 0 207.317 2.578 50 0 BFAARN C[C@@](O)(c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001720247 357336508 /nfs/dbraw/zinc/33/65/08/357336508.db2.gz KVDNJQJZESZZST-LSDHHAIUSA-N 0 0 228.291 2.628 50 0 BFAARN CCO[C@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000248845686 357515086 /nfs/dbraw/zinc/51/50/86/357515086.db2.gz TWCRWVUIKITSDZ-MRVWCRGKSA-N 0 0 247.338 2.536 50 0 BFAARN NC(=O)c1ccc(-c2ccccc2F)cc1 ZINC000000111112 181291949 /nfs/dbraw/zinc/29/19/49/181291949.db2.gz URNKHGDLIDSVJP-UHFFFAOYSA-N 0 0 215.227 2.592 50 0 BFAARN CCCc1noc([C@H](C)N2CCC(C)CC2)n1 ZINC000044583988 491112812 /nfs/dbraw/zinc/11/28/12/491112812.db2.gz LNXVJBMAFGTAFV-NSHDSACASA-N 0 0 237.347 2.815 50 0 BFAARN CCCC1N=NC(=S)N1c1cccc(OC)c1 ZINC000006391530 358007279 /nfs/dbraw/zinc/00/72/79/358007279.db2.gz LMUHDAAFIBAODF-UHFFFAOYSA-N 0 0 249.339 2.517 50 0 BFAARN CCCC1N=NC(=S)N1Cc1ccc(C)cc1 ZINC000006400094 358009331 /nfs/dbraw/zinc/00/93/31/358009331.db2.gz VVZHCNAIQIVWLD-UHFFFAOYSA-N 0 0 247.367 2.876 50 0 BFAARN Cn1c2ccccc2c2c1[C@H](O)CCC2 ZINC000039188567 358050683 /nfs/dbraw/zinc/05/06/83/358050683.db2.gz SNUHWNXTPVXPAR-GFCCVEGCSA-N 0 0 201.269 2.548 50 0 BFAARN Cc1csc(NC(=O)CCCn2cccc2)n1 ZINC000049031010 358062369 /nfs/dbraw/zinc/06/23/69/358062369.db2.gz SINZMNBMZSMEKI-UHFFFAOYSA-N 0 0 249.339 2.672 50 0 BFAARN CC(C)CC(=O)Nc1cccc2nsnc21 ZINC000035672779 358088762 /nfs/dbraw/zinc/08/87/62/358088762.db2.gz GFJXLRYDIXLPMR-UHFFFAOYSA-N 0 0 235.312 2.676 50 0 BFAARN CC[C@@H](C)NC(=O)c1ccc(OC(F)F)cc1 ZINC000013007726 358147253 /nfs/dbraw/zinc/14/72/53/358147253.db2.gz MLXKURBUTDWZOF-MRVPVSSYSA-N 0 0 243.253 2.816 50 0 BFAARN CC[C@@H](C)Oc1cc(Cl)nc(C)n1 ZINC000052835000 358233498 /nfs/dbraw/zinc/23/34/98/358233498.db2.gz RNJQNJGTUUSIIQ-ZCFIWIBFSA-N 0 0 200.669 2.616 50 0 BFAARN CCCCONC(=O)Nc1ccccc1 ZINC000005171647 358421342 /nfs/dbraw/zinc/42/13/42/358421342.db2.gz XRCMMWXIGOXMAY-UHFFFAOYSA-N 0 0 208.261 2.540 50 0 BFAARN O=C(c1cnc2n1CCC2)c1ccc(Cl)cc1 ZINC000001781181 358586976 /nfs/dbraw/zinc/58/69/76/358586976.db2.gz PYJIJURLQOREJT-UHFFFAOYSA-N 0 0 246.697 2.714 50 0 BFAARN CC(C)(C)C(=O)NC/C=C\c1ccccc1 ZINC000101723907 166527661 /nfs/dbraw/zinc/52/76/61/166527661.db2.gz GNMFAZDQKHKUHQ-YFHOEESVSA-N 0 0 217.312 2.862 50 0 BFAARN Cn1cccc1C(=O)OCc1ccc(F)cc1 ZINC000006507913 359773216 /nfs/dbraw/zinc/77/32/16/359773216.db2.gz OWIQWFUZQDDZDO-UHFFFAOYSA-N 0 0 233.242 2.521 50 0 BFAARN C[C@@H]1CN(C[C@@H]2CCOC2)c2ccccc21 ZINC000095350424 360336049 /nfs/dbraw/zinc/33/60/49/360336049.db2.gz WFIJWIACJJPONH-NEPJUHHUSA-N 0 0 217.312 2.647 50 0 BFAARN c1csc(-c2nnn(CC3CCCCC3)n2)c1 ZINC000006589147 360343821 /nfs/dbraw/zinc/34/38/21/360343821.db2.gz ZTHKRIRYRALGDE-UHFFFAOYSA-N 0 0 248.355 2.982 50 0 BFAARN COc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000014633129 219812681 /nfs/dbraw/zinc/81/26/81/219812681.db2.gz NBSKZRMBROWDNS-NSHDSACASA-N 0 0 231.295 2.990 50 0 BFAARN COc1ccc(Sc2ccc(N)cn2)cc1 ZINC000019845579 219814916 /nfs/dbraw/zinc/81/49/16/219814916.db2.gz TUSQFWHRJUNOHC-UHFFFAOYSA-N 0 0 232.308 2.824 50 0 BFAARN CCCCC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000036076017 360563090 /nfs/dbraw/zinc/56/30/90/360563090.db2.gz JHLCESZOWJGWSH-CQSZACIVSA-N 0 0 247.338 2.777 50 0 BFAARN C[C@@H](CC(=O)OCc1ccccc1)n1ccnc1 ZINC000006651049 360546192 /nfs/dbraw/zinc/54/61/92/360546192.db2.gz MKAAOJVROHERPX-LBPRGKRZSA-N 0 0 244.294 2.578 50 0 BFAARN NC(=O)c1cccc(OCc2ccccc2F)c1 ZINC000006703213 181305744 /nfs/dbraw/zinc/30/57/44/181305744.db2.gz YNFJZLDPGQMFPF-UHFFFAOYSA-N 0 0 245.253 2.504 50 0 BFAARN NC(=O)c1cccnc1Nc1ccc(Cl)cc1 ZINC000000334952 181307107 /nfs/dbraw/zinc/30/71/07/181307107.db2.gz FJVCXMXKUZAAEY-UHFFFAOYSA-N 0 0 247.685 2.578 50 0 BFAARN COC(=O)c1ccnc(Cl)c1C(F)(F)F ZINC000238323428 360875746 /nfs/dbraw/zinc/87/57/46/360875746.db2.gz CSUGBJBJOJDEAL-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)on1 ZINC000036398250 361084941 /nfs/dbraw/zinc/08/49/41/361084941.db2.gz MPWXEORNXXWOME-RYUDHWBXSA-N 0 0 248.326 2.778 50 0 BFAARN COCc1ccccc1CNC(=O)CC(C)(C)C ZINC000036393949 361079816 /nfs/dbraw/zinc/07/98/16/361079816.db2.gz GFJHHSINPWTBBY-UHFFFAOYSA-N 0 0 249.354 2.885 50 0 BFAARN O=C(CCc1cccc(F)c1)NC1CCCC1 ZINC000036396950 361082541 /nfs/dbraw/zinc/08/25/41/361082541.db2.gz PIRNYPHORLBFFC-UHFFFAOYSA-N 0 0 235.302 2.817 50 0 BFAARN CC[NH+](CC)CCOC(=O)CCc1ccccc1 ZINC000006891359 361092678 /nfs/dbraw/zinc/09/26/78/361092678.db2.gz AOEZSVRWNCPDBX-UHFFFAOYSA-N 0 0 249.354 2.504 50 0 BFAARN CCc1ccc(C(=O)n2nc(C)cc2C)s1 ZINC000006959101 361159634 /nfs/dbraw/zinc/15/96/34/361159634.db2.gz AYPWNHZSPXMZMZ-UHFFFAOYSA-N 0 0 234.324 2.812 50 0 BFAARN OCCSCc1ccc(-c2ccncc2)cc1 ZINC000426472998 200989312 /nfs/dbraw/zinc/98/93/12/200989312.db2.gz VTANWVJIIJUORA-UHFFFAOYSA-N 0 0 245.347 2.974 50 0 BFAARN CNC(=O)c1ccccc1-c1ccccc1F ZINC000426677335 200996364 /nfs/dbraw/zinc/99/63/64/200996364.db2.gz AWLFXJVEYSNRHO-UHFFFAOYSA-N 0 0 229.254 2.852 50 0 BFAARN O=c1[nH]ccc(Br)c1C(F)(F)F ZINC000238709728 361365144 /nfs/dbraw/zinc/36/51/44/361365144.db2.gz GZQBCTFWKLHESB-UHFFFAOYSA-N 0 0 241.994 2.569 50 0 BFAARN CCCC(=O)Nc1ccnn1Cc1ccsc1 ZINC000170071791 361386864 /nfs/dbraw/zinc/38/68/64/361386864.db2.gz TYFFFGDUFWQODR-UHFFFAOYSA-N 0 0 249.339 2.732 50 0 BFAARN NC1=C(N)/C(=C/c2ccccc2)c2ccccc21 ZINC000006694625 181338272 /nfs/dbraw/zinc/33/82/72/181338272.db2.gz LSEIQGJPIHTJEM-GXDHUFHOSA-N 0 0 234.302 2.827 50 0 BFAARN NC1=NN2C(=CS[C@H]2c2ccccc2)S1 ZINC000000297784 181339588 /nfs/dbraw/zinc/33/95/88/181339588.db2.gz KMFIBTJJVASSRH-VIFPVBQESA-N 0 0 235.337 2.509 50 0 BFAARN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1F ZINC000015084704 363982842 /nfs/dbraw/zinc/98/28/42/363982842.db2.gz COJLTFCILGNGNW-WCBMZHEXSA-N 0 0 207.248 2.729 50 0 BFAARN CC(C)c1ccc(NS(=O)(=O)C2CC2)cc1 ZINC000038489935 370721214 /nfs/dbraw/zinc/72/12/14/370721214.db2.gz GIKPTVVORIOMHL-UHFFFAOYSA-N 0 0 239.340 2.714 50 0 BFAARN Nc1ccc(-c2noc(C3CCC3)n2)c(F)c1 ZINC000725273602 541341222 /nfs/dbraw/zinc/34/12/22/541341222.db2.gz ODLCGCDFRWNVNZ-UHFFFAOYSA-N 0 0 233.246 2.725 50 0 BFAARN ON=c1cc(-c2ccccc2)ss1 ZINC000252630705 364394234 /nfs/dbraw/zinc/39/42/34/364394234.db2.gz VDRZWCZMAJAHGZ-UHFFFAOYSA-N 0 0 209.295 2.767 50 0 BFAARN CC(C)C[C@H](N)c1nc2ccccc2o1 ZINC000004207321 541359635 /nfs/dbraw/zinc/35/96/35/541359635.db2.gz YOZFIGMCBNHOJT-VIFPVBQESA-N 0 0 204.273 2.874 50 0 BFAARN Cc1ccc(N[C@@H]2CCCC[C@H]2O)cc1 ZINC000037691298 364531459 /nfs/dbraw/zinc/53/14/59/364531459.db2.gz JTCBCGKEWZZVIP-CHWSQXEVSA-N 0 0 205.301 2.710 50 0 BFAARN CC[C@@H]1CCCCCN1C(=O)[C@@H]1CCCOC1 ZINC000089948269 364660476 /nfs/dbraw/zinc/66/04/76/364660476.db2.gz JAZYCAXUYWLUOE-CHWSQXEVSA-N 0 0 239.359 2.594 50 0 BFAARN C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccncc1 ZINC000027404773 541499737 /nfs/dbraw/zinc/49/97/37/541499737.db2.gz CYVWBWVMEAOWFF-WCQYABFASA-N 0 0 230.311 2.615 50 0 BFAARN COc1ccc2c(c1)CCCN2C(=O)[C@H]1C[C@@H]1C ZINC000032848575 541502661 /nfs/dbraw/zinc/50/26/61/541502661.db2.gz MTOJIVWCQPDXOE-GWCFXTLKSA-N 0 0 245.322 2.630 50 0 BFAARN CC[C@@H](N[C@H](C)c1nccn1C)c1ccncc1 ZINC000183017805 366966308 /nfs/dbraw/zinc/96/63/08/366966308.db2.gz MZEPRXJIEHYMPN-DGCLKSJQSA-N 0 0 244.342 2.617 50 0 BFAARN Cn1ccnc1SCc1nc2ccccc2o1 ZINC000007901145 367621596 /nfs/dbraw/zinc/62/15/96/367621596.db2.gz YZMUKOOGOHULGF-UHFFFAOYSA-N 0 0 245.307 2.854 50 0 BFAARN CCCCO[C@H](C)CC(C)(C)OC(C)=O ZINC000002250630 368138987 /nfs/dbraw/zinc/13/89/87/368138987.db2.gz ZUPWEEIULYBCPZ-SNVBAGLBSA-N 0 0 216.321 2.923 50 0 BFAARN Cc1ccc(SCc2cc(=O)c(O)co2)cc1 ZINC000019928430 368372643 /nfs/dbraw/zinc/37/26/43/368372643.db2.gz DIGIPUKDOUXMTL-UHFFFAOYSA-N 0 0 248.303 2.946 50 0 BFAARN CC(C)=C(C)CN1C(=O)c2ccccc2C1=O ZINC000019908540 368373035 /nfs/dbraw/zinc/37/30/35/368373035.db2.gz WIFJBKSORZDVJF-UHFFFAOYSA-N 0 0 229.279 2.639 50 0 BFAARN COC(=O)[C@@H](C)c1ccc2cc(O)ccc2c1 ZINC000032210518 368374705 /nfs/dbraw/zinc/37/47/05/368374705.db2.gz RKDCLWDNCOUHGF-VIFPVBQESA-N 0 0 230.263 2.822 50 0 BFAARN CCOC(=O)[C@@H]1[C@@H]2C=Cc3cccc4c3[C@]12CC4 ZINC000039580649 368376145 /nfs/dbraw/zinc/37/61/45/368376145.db2.gz TWOPSOAYLHVZEI-DUVNUKRYSA-N 0 0 240.302 2.707 50 0 BFAARN COc1cc(Cl)cc([N+](=O)[O-])c1Cl ZINC000059595260 368379782 /nfs/dbraw/zinc/37/97/82/368379782.db2.gz NJZMXYAVRVWZAS-UHFFFAOYSA-N 0 0 222.027 2.910 50 0 BFAARN CCCCOc1ncc(Cl)cc1O ZINC000113666699 368385394 /nfs/dbraw/zinc/38/53/94/368385394.db2.gz TZWZKIVKJYEDKW-UHFFFAOYSA-N 0 0 201.653 2.620 50 0 BFAARN O=C(Nc1ccccn1)Oc1ccc(F)cc1 ZINC000136730092 368389569 /nfs/dbraw/zinc/38/95/69/368389569.db2.gz YDKKTXVEMNAGEV-UHFFFAOYSA-N 0 0 232.214 2.832 50 0 BFAARN Cc1cc(C)nc(NC(=O)Nc2ccccc2)n1 ZINC000000455281 368555707 /nfs/dbraw/zinc/55/57/07/368555707.db2.gz MPVBQYNJWXEWMM-UHFFFAOYSA-N 0 0 242.282 2.737 50 0 BFAARN CN1C(=O)c2cccc3c(Cl)ccc(c32)C1=O ZINC000003897044 368887892 /nfs/dbraw/zinc/88/78/92/368887892.db2.gz SGNIMUROCFTAQZ-UHFFFAOYSA-N 0 0 245.665 2.719 50 0 BFAARN C/C=C/CC(=O)N[C@@H](C)c1c(C)nn(CC)c1C ZINC000584895044 369041767 /nfs/dbraw/zinc/04/17/67/369041767.db2.gz LGINCMVKPVZXBL-PCGIRMHASA-N 0 0 249.358 2.663 50 0 BFAARN C/C=C/CC(=O)N[C@H](C)c1c(C)nn(CC)c1C ZINC000584895045 369042753 /nfs/dbraw/zinc/04/27/53/369042753.db2.gz LGINCMVKPVZXBL-QEHWCHDUSA-N 0 0 249.358 2.663 50 0 BFAARN Fc1ccc(NC(=S)NC2CC2)cc1Cl ZINC000000613459 369449264 /nfs/dbraw/zinc/44/92/64/369449264.db2.gz HRYUAUFBAHRMJK-UHFFFAOYSA-N 0 0 244.722 2.928 50 0 BFAARN C[C@@H]1C[C@H](O)[C@H]2C=C(Cl)C=C[C@@H]2S1 ZINC000012857529 370973703 /nfs/dbraw/zinc/97/37/03/370973703.db2.gz CDLMBTLYJNUUMV-PRQTWWFRSA-N 0 0 216.733 2.550 50 0 BFAARN OCCc1ccc(OCc2cccc(F)c2)cc1 ZINC000166178709 203387731 /nfs/dbraw/zinc/38/77/31/203387731.db2.gz SWBKWXHELWTEDR-UHFFFAOYSA-N 0 0 246.281 2.940 50 0 BFAARN CCCn1cc(SCC(N)=O)c2ccccc21 ZINC000002451544 370990791 /nfs/dbraw/zinc/99/07/91/370990791.db2.gz UUXKYDSYQXZFLA-UHFFFAOYSA-N 0 0 248.351 2.629 50 0 BFAARN COc1cc(N2CCC(F)(F)CC2)ccc1N ZINC000114011434 370539226 /nfs/dbraw/zinc/53/92/26/370539226.db2.gz LURQGAIFHPLQJY-UHFFFAOYSA-N 0 0 242.269 2.513 50 0 BFAARN NN1[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000019168550 371119983 /nfs/dbraw/zinc/11/99/83/371119983.db2.gz GXDYVAZATOFPPQ-ZIAGYGMSSA-N 0 0 210.280 2.658 50 0 BFAARN C[C@@H](OC(=O)C=C1CCC1)c1ccccn1 ZINC000079075455 371179671 /nfs/dbraw/zinc/17/96/71/371179671.db2.gz PXQPOJYSXBVMGL-SNVBAGLBSA-N 0 0 217.268 2.796 50 0 BFAARN C[C@H](Sc1nc[nH]n1)c1cccc(F)c1 ZINC000079820169 371228577 /nfs/dbraw/zinc/22/85/77/371228577.db2.gz OYVBZEALJRQFNQ-ZETCQYMHSA-N 0 0 223.276 2.797 50 0 BFAARN CCn1[nH]cc2nc([C@@H]3CC=CCC3)nc1-2 ZINC000020455531 371283686 /nfs/dbraw/zinc/28/36/86/371283686.db2.gz NVOPKYOZEDPKMN-SECBINFHSA-N 0 0 216.288 2.603 50 0 BFAARN N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000328599179 181629969 /nfs/dbraw/zinc/62/99/69/181629969.db2.gz QHZNQJFIAMWCQX-SECBINFHSA-N 0 0 232.180 2.869 50 0 BFAARN Cc1oc(-c2c(F)cccc2Cl)[n+]([O-])c1C ZINC000020663804 371311090 /nfs/dbraw/zinc/31/10/90/371311090.db2.gz XTAIZJARKCBUHG-UHFFFAOYSA-N 0 0 241.649 2.989 50 0 BFAARN CCCc1cc(C(=O)N2CCCC[C@H]2C)no1 ZINC000021366143 371405421 /nfs/dbraw/zinc/40/54/21/371405421.db2.gz DIJLEXZHJKLYEH-SNVBAGLBSA-N 0 0 236.315 2.642 50 0 BFAARN Nc1ccc(Cl)c(Br)c1 ZINC000028278227 181708295 /nfs/dbraw/zinc/70/82/95/181708295.db2.gz FVZODFVCIDBDGS-UHFFFAOYSA-N 0 0 206.470 2.685 50 0 BFAARN CCc1ccccc1C(=O)C(C)(C)N(C)C ZINC000096027218 371382248 /nfs/dbraw/zinc/38/22/48/371382248.db2.gz ZVHNTVQPMFMSKU-UHFFFAOYSA-N 0 0 219.328 2.772 50 0 BFAARN Cc1cnc(NC(=O)c2ccc(Cl)o2)s1 ZINC000021470596 371429700 /nfs/dbraw/zinc/42/97/00/371429700.db2.gz XFCDTBMOVCFLTF-UHFFFAOYSA-N 0 0 242.687 2.950 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@@H]2c2ccco2)on1 ZINC000021525395 371442207 /nfs/dbraw/zinc/44/22/07/371442207.db2.gz SAZNZMVJFBMTFJ-SNVBAGLBSA-N 0 0 246.266 2.553 50 0 BFAARN Nc1ccccc1C(=O)CSc1ccccn1 ZINC000001421248 181752689 /nfs/dbraw/zinc/75/26/89/181752689.db2.gz KNIKMLBIKOSVHP-UHFFFAOYSA-N 0 0 244.319 2.639 50 0 BFAARN CCCC[C@@H](C)C(=O)NCCc1ccc(C)nc1 ZINC000225734175 371572941 /nfs/dbraw/zinc/57/29/41/371572941.db2.gz SQYOABZYDGFGII-GFCCVEGCSA-N 0 0 248.370 2.875 50 0 BFAARN O=C1CCCC[C@H]1[C@@H](O)c1ccc(F)cc1 ZINC000028294561 371591273 /nfs/dbraw/zinc/59/12/73/371591273.db2.gz DGXAHHNBPVFSJS-YPMHNXCESA-N 0 0 222.259 2.618 50 0 BFAARN Nc1nc2cc(Cl)c(Br)cc2o1 ZINC000008614790 181791691 /nfs/dbraw/zinc/79/16/91/181791691.db2.gz PEEJUZZCANIEIL-UHFFFAOYSA-N 0 0 247.479 2.826 50 0 BFAARN Nc1nccc2cc(Br)ccc12 ZINC000035270063 181799753 /nfs/dbraw/zinc/79/97/53/181799753.db2.gz PZNNAAGLKCNZKE-UHFFFAOYSA-N 0 0 223.073 2.580 50 0 BFAARN Cc1cnc(NC(=O)Cc2ccsc2)s1 ZINC000003284155 371941605 /nfs/dbraw/zinc/94/16/05/371941605.db2.gz NXACQFMYESZSSV-UHFFFAOYSA-N 0 0 238.337 2.694 50 0 BFAARN Cc1csc(-n2sc3ccccc3c2=O)n1 ZINC000003207260 371913645 /nfs/dbraw/zinc/91/36/45/371913645.db2.gz SIAIUZRYGLHACR-UHFFFAOYSA-N 0 0 248.332 2.817 50 0 BFAARN O=C(/C=C/c1ccco1)NC1CCCCC1 ZINC000000574621 181843429 /nfs/dbraw/zinc/84/34/29/181843429.db2.gz PGYYMOZMCYSXOG-CMDGGOBGSA-N 0 0 219.284 2.742 50 0 BFAARN Cc1cc(C)cc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000003407271 371984248 /nfs/dbraw/zinc/98/42/48/371984248.db2.gz YVJFZFXJJRAQDO-PWSUYJOCSA-N 0 0 203.285 2.898 50 0 BFAARN CC[C@@H]([NH2+]Cc1ccnn1C)c1ccccc1F ZINC000163467606 371997683 /nfs/dbraw/zinc/99/76/83/371997683.db2.gz NTNSGOQFDFWURW-CQSZACIVSA-N 0 0 247.317 2.800 50 0 BFAARN O=C(/C=C\c1ccc(F)cc1)Nc1ccccn1 ZINC000005785278 181847911 /nfs/dbraw/zinc/84/79/11/181847911.db2.gz BPJGFFDQQBQVCF-TWGQIWQCSA-N 0 0 242.253 2.873 50 0 BFAARN O=C(C1CC1)N1CCC[C@@H]1Cc1ccccc1 ZINC000032901489 181861709 /nfs/dbraw/zinc/86/17/09/181861709.db2.gz HMPOKJFXUUEASB-CQSZACIVSA-N 0 0 229.323 2.630 50 0 BFAARN Cc1[nH]c2ccccc2c1CCC(=O)NC(C)C ZINC000004011641 372116837 /nfs/dbraw/zinc/11/68/37/372116837.db2.gz YXEWTDVVEPPDPE-UHFFFAOYSA-N 0 0 244.338 2.934 50 0 biogenic BFAARN CN1C(=O)O[C@@]2(C)CCc3ccccc3[C@@]12C ZINC000003958389 372100504 /nfs/dbraw/zinc/10/05/04/372100504.db2.gz CTDWXPWFRVKRSF-UONOGXRCSA-N 0 0 231.295 2.689 50 0 BFAARN CN1C(=O)O[C@]2(C)CCc3ccccc3[C@@]12C ZINC000003958388 372100851 /nfs/dbraw/zinc/10/08/51/372100851.db2.gz CTDWXPWFRVKRSF-ZIAGYGMSSA-N 0 0 231.295 2.689 50 0 BFAARN CCCC[C@@]1(C)Cc2ccccc2C(=O)N1 ZINC000004141451 372150956 /nfs/dbraw/zinc/15/09/56/372150956.db2.gz IKSYTJSORSQIDQ-AWEZNQCLSA-N 0 0 217.312 2.921 50 0 biogenic BFAARN Cc1ncoc1C(=O)Nc1cc(C)cc(C)c1 ZINC000004148060 372151848 /nfs/dbraw/zinc/15/18/48/372151848.db2.gz RMHDPWNDCHUPNS-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN CC(C)(C)C(=O)Nc1nnc(-c2ccccc2)o1 ZINC000004276192 372193248 /nfs/dbraw/zinc/19/32/48/372193248.db2.gz SGSOOYYBPOAMNA-UHFFFAOYSA-N 0 0 245.282 2.721 50 0 BFAARN O=C(CCC(=O)c1ccco1)c1ccco1 ZINC000006472822 181896846 /nfs/dbraw/zinc/89/68/46/181896846.db2.gz YFFKNPBNZUAMNU-UHFFFAOYSA-N 0 0 218.208 2.718 50 0 BFAARN O=C(CCC1CCCC1)NCc1ccccn1 ZINC000000362241 181906376 /nfs/dbraw/zinc/90/63/76/181906376.db2.gz YFVFTSJRJVJQSB-UHFFFAOYSA-N 0 0 232.327 2.668 50 0 BFAARN O=C(CCC1CCCC1)Nc1ccon1 ZINC000002769898 181907841 /nfs/dbraw/zinc/90/78/41/181907841.db2.gz RHWSWQMJYVSUMK-UHFFFAOYSA-N 0 0 208.261 2.584 50 0 BFAARN O=C(CSC1CCCC1)NC1CCCC1 ZINC000040456862 182008510 /nfs/dbraw/zinc/00/85/10/182008510.db2.gz HDTVLLBNYYTHEL-UHFFFAOYSA-N 0 0 227.373 2.721 50 0 BFAARN Fc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC000008773005 372893415 /nfs/dbraw/zinc/89/34/15/372893415.db2.gz XUJBCUZKFSAZJF-UHFFFAOYSA-N 0 0 213.215 2.764 50 0 BFAARN Cc1ccoc1C(=O)NCc1ccc(F)cc1 ZINC000008772006 372893547 /nfs/dbraw/zinc/89/35/47/372893547.db2.gz OIQITZHJZPDGSG-UHFFFAOYSA-N 0 0 233.242 2.657 50 0 BFAARN O=C(CSc1ccccc1)NC1CCCC1 ZINC000000444122 182009497 /nfs/dbraw/zinc/00/94/97/182009497.db2.gz NHWFUAKAKYWWJH-UHFFFAOYSA-N 0 0 235.352 2.838 50 0 BFAARN O=C(CSc1ncccn1)c1ccccc1F ZINC000003277483 182010403 /nfs/dbraw/zinc/01/04/03/182010403.db2.gz VBQAMQXHIIPFKP-UHFFFAOYSA-N 0 0 248.282 2.591 50 0 BFAARN O=C(CSc1nc2ccccc2[nH]1)C1CC1 ZINC000000053137 182010666 /nfs/dbraw/zinc/01/06/66/182010666.db2.gz ATVWSZHDXNJBDB-UHFFFAOYSA-N 0 0 232.308 2.634 50 0 BFAARN O=C(CSc1cccs1)NC1CCCC1 ZINC000040504956 182011353 /nfs/dbraw/zinc/01/13/53/182011353.db2.gz LQPJUGVLBRQSOC-UHFFFAOYSA-N 0 0 241.381 2.899 50 0 BFAARN O=C(C[C@@H]1C=CCC1)NCCc1ccc(F)cc1 ZINC000036392859 182014207 /nfs/dbraw/zinc/01/42/07/182014207.db2.gz USBJETGFOXKBRY-CYBMUJFWSA-N 0 0 247.313 2.841 50 0 BFAARN O=C(C[C@H]1C=CCC1)N1CCc2ccccc21 ZINC000032738577 182022993 /nfs/dbraw/zinc/02/29/93/182022993.db2.gz QWYAAWLCRYDTQI-LBPRGKRZSA-N 0 0 227.307 2.932 50 0 BFAARN O=C(C[C@H]1C=CCC1)N1CCCCCC1 ZINC000032747664 182023523 /nfs/dbraw/zinc/02/35/23/182023523.db2.gz JEWPZPOYDLMPEP-LBPRGKRZSA-N 0 0 207.317 2.745 50 0 BFAARN O=C(Cc1cc(F)cc(F)c1)Nc1ccccn1 ZINC000000110569 182032717 /nfs/dbraw/zinc/03/27/17/182032717.db2.gz YFFSTNOBNKXEHL-UHFFFAOYSA-N 0 0 248.232 2.541 50 0 BFAARN O=C(Cc1ccc(Cl)cc1F)N1CCCC1 ZINC000071385461 182035511 /nfs/dbraw/zinc/03/55/11/182035511.db2.gz DFCFRDGHYFAEES-UHFFFAOYSA-N 0 0 241.693 2.644 50 0 BFAARN O=C(Cc1cccc(F)c1)NCc1ccccc1 ZINC000015634442 182040335 /nfs/dbraw/zinc/04/03/35/182040335.db2.gz FBDUBKWUWUGXEY-UHFFFAOYSA-N 0 0 243.281 2.685 50 0 BFAARN O=C(Cc1ccccc1)NCc1ccccc1 ZINC000000361383 182044311 /nfs/dbraw/zinc/04/43/11/182044311.db2.gz CPKRCGUDZGKAPJ-UHFFFAOYSA-N 0 0 225.291 2.546 50 0 biogenic BFAARN O=C(Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000000041776 182044813 /nfs/dbraw/zinc/04/48/13/182044813.db2.gz GMPAXGVXZYFWRF-UHFFFAOYSA-N 0 0 240.258 2.841 50 0 BFAARN O=C(Cc1ccccc1F)NCc1ccccc1 ZINC000003412166 182044910 /nfs/dbraw/zinc/04/49/10/182044910.db2.gz HNDWMAJSZJXKLW-UHFFFAOYSA-N 0 0 243.281 2.685 50 0 BFAARN Cc1nsc2ccc3nc(N)sc3c12 ZINC000141661969 373004725 /nfs/dbraw/zinc/00/47/25/373004725.db2.gz MKHAESNALJWWJS-UHFFFAOYSA-N 0 0 221.310 2.797 50 0 BFAARN O=C(Cc1ccccc1)n1cnc2ccccc21 ZINC000002742272 182045159 /nfs/dbraw/zinc/04/51/59/182045159.db2.gz YYJRNMWVOZHBHI-UHFFFAOYSA-N 0 0 236.274 2.919 50 0 BFAARN O=C(Cc1ccccc1F)c1ccc(O)cc1O ZINC000000304317 182046221 /nfs/dbraw/zinc/04/62/21/182046221.db2.gz MOSGILKWCKIFKC-UHFFFAOYSA-N 0 0 246.237 2.662 50 0 biogenic BFAARN CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)OCC ZINC000068709748 373047149 /nfs/dbraw/zinc/04/71/49/373047149.db2.gz LWVSAJAAMVUGDI-JHJVBQTASA-N 0 0 241.375 2.887 50 0 BFAARN O=C(CCc1ccsc1)NCC1CCCC1 ZINC000040074447 373101189 /nfs/dbraw/zinc/10/11/89/373101189.db2.gz DHHWGUGAEZIOBJ-UHFFFAOYSA-N 0 0 237.368 2.987 50 0 BFAARN O=C(Cn1cccc1)Nc1ccccc1Cl ZINC000005055438 182067563 /nfs/dbraw/zinc/06/75/63/182067563.db2.gz IJDXTQYOVUXMEA-UHFFFAOYSA-N 0 0 234.686 2.780 50 0 BFAARN O=C(N1CCCCC1)C1(c2cccc(F)c2)CC1 ZINC000064554915 182080356 /nfs/dbraw/zinc/08/03/56/182080356.db2.gz VSCZKXQZGSJDCO-UHFFFAOYSA-N 0 0 247.313 2.870 50 0 BFAARN O=C(NC1(c2ccccc2)CC1)c1ccncc1 ZINC000041569138 182092050 /nfs/dbraw/zinc/09/20/50/182092050.db2.gz MMWABSDVYUIADO-UHFFFAOYSA-N 0 0 238.290 2.501 50 0 BFAARN O=C(NC1(c2ccccc2)CCC1)C1CC1 ZINC000032843446 182092084 /nfs/dbraw/zinc/09/20/84/182092084.db2.gz DZUMJZALDORAOX-UHFFFAOYSA-N 0 0 215.296 2.592 50 0 BFAARN O=C(NC1CC1)c1c(Cl)cccc1Cl ZINC000002767451 182098249 /nfs/dbraw/zinc/09/82/49/182098249.db2.gz QGIKFJSEYLYLPK-UHFFFAOYSA-N 0 0 230.094 2.886 50 0 BFAARN O=C(NC1CCCCC1)c1ccnc(Cl)c1 ZINC000012796259 182113961 /nfs/dbraw/zinc/11/39/61/182113961.db2.gz SRZWKLQNIJMNOH-UHFFFAOYSA-N 0 0 238.718 2.798 50 0 BFAARN O=C(NC1CCCCC1)c1cc(O)cc(F)c1 ZINC000261494492 182112449 /nfs/dbraw/zinc/11/24/49/182112449.db2.gz YWSNYWGJIKNXQV-UHFFFAOYSA-N 0 0 237.274 2.594 50 0 BFAARN O=C(NC1CCCCC1)c1ccc2c(c1)CCO2 ZINC000032795028 182113368 /nfs/dbraw/zinc/11/33/68/182113368.db2.gz BXVJYMJIBSOHRB-UHFFFAOYSA-N 0 0 245.322 2.684 50 0 BFAARN O=C(NC1CCCCC1)c1[nH]nc2ccccc21 ZINC000008202632 182114705 /nfs/dbraw/zinc/11/47/05/182114705.db2.gz OIUOOHQNKOIQGL-UHFFFAOYSA-N 0 0 243.310 2.625 50 0 BFAARN O=C(NC1CCCC1)C1(c2cccc(F)c2)CC1 ZINC000064554913 182107869 /nfs/dbraw/zinc/10/78/69/182107869.db2.gz NFGYIRVJMKIGEA-UHFFFAOYSA-N 0 0 247.313 2.916 50 0 BFAARN O=C(NC1CCCC1)N1CCc2ccccc2C1 ZINC000009874251 182108543 /nfs/dbraw/zinc/10/85/43/182108543.db2.gz DSMXKAQEIBTJFM-UHFFFAOYSA-N 0 0 244.338 2.697 50 0 BFAARN O=C(NC1Cc2ccccc2C1)C1CCCCC1 ZINC000000171411 182119847 /nfs/dbraw/zinc/11/98/47/182119847.db2.gz DUODLKYYLWWVDA-UHFFFAOYSA-N 0 0 243.350 2.850 50 0 BFAARN O=C(NCC(F)F)Nc1ccccc1C1CC1 ZINC000096148058 182126713 /nfs/dbraw/zinc/12/67/13/182126713.db2.gz FECFINBPOPCGDP-UHFFFAOYSA-N 0 0 240.253 2.951 50 0 BFAARN O=C(NCC1(c2ccccc2)CC1)c1ccoc1 ZINC000071794315 182132616 /nfs/dbraw/zinc/13/26/16/182132616.db2.gz FYWRXWIJAUVDLC-UHFFFAOYSA-N 0 0 241.290 2.741 50 0 BFAARN CC(C)C(=O)N1CCC(c2nccs2)CC1 ZINC000040623308 373567048 /nfs/dbraw/zinc/56/70/48/373567048.db2.gz RFDYAZNWNYZSDQ-UHFFFAOYSA-N 0 0 238.356 2.505 50 0 BFAARN CCCCNC(=O)N1CCCC[C@H]1CC ZINC000006699784 168848591 /nfs/dbraw/zinc/84/85/91/168848591.db2.gz PTAJIXYWFQSSCR-LLVKDONJSA-N 0 0 212.337 2.761 50 0 BFAARN O=C(NCCC1=CCCC1)Nc1ccncc1F ZINC000097135885 182151386 /nfs/dbraw/zinc/15/13/86/182151386.db2.gz QXHDMOJDWNOEIO-UHFFFAOYSA-N 0 0 249.289 2.843 50 0 BFAARN O=C(NCCSC1CCCC1)c1ccco1 ZINC000040082512 182198108 /nfs/dbraw/zinc/19/81/08/182198108.db2.gz XWGVFFOYGANARW-UHFFFAOYSA-N 0 0 239.340 2.685 50 0 BFAARN O=C(NCCc1cccc(Cl)c1)c1ccoc1 ZINC000012979154 182202915 /nfs/dbraw/zinc/20/29/15/182202915.db2.gz JQIOSDNREABCLC-UHFFFAOYSA-N 0 0 249.697 2.906 50 0 BFAARN CCCCCNC(=O)c1cccc(NC(C)=O)c1 ZINC000009314626 373926332 /nfs/dbraw/zinc/92/63/32/373926332.db2.gz MVAUMNHKNRFHRG-UHFFFAOYSA-N 0 0 248.326 2.565 50 0 BFAARN O=C(NCCc1cccs1)Nc1cccnc1 ZINC000040474234 182208054 /nfs/dbraw/zinc/20/80/54/182208054.db2.gz CGBHLACCKRNFOJ-UHFFFAOYSA-N 0 0 247.323 2.507 50 0 BFAARN Nc1ccccc1-c1n[nH]c(C2CCCC2)n1 ZINC000041161616 374117113 /nfs/dbraw/zinc/11/71/13/374117113.db2.gz OIKZORXRRNBYJT-UHFFFAOYSA-N 0 0 228.299 2.712 50 0 BFAARN Cc1ccc(CNC(=O)/C=C/c2ccccc2)o1 ZINC000009434639 374131569 /nfs/dbraw/zinc/13/15/69/374131569.db2.gz GCIPCUMHCBILAX-CSKARUKUSA-N 0 0 241.290 2.918 50 0 BFAARN O=C(NCc1ccc[nH]1)c1ccc(Cl)cc1 ZINC000041538082 182253566 /nfs/dbraw/zinc/25/35/66/182253566.db2.gz UPIKXUIXGWVULB-UHFFFAOYSA-N 0 0 234.686 2.598 50 0 BFAARN O=C(NCc1cccc(Cl)c1)c1ccncc1 ZINC000001054191 182254231 /nfs/dbraw/zinc/25/42/31/182254231.db2.gz VYLRJIIPJWFUKD-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN Cc1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 ZINC000009836383 374250451 /nfs/dbraw/zinc/25/04/51/374250451.db2.gz OIUAFWZGZLTRKD-AWEZNQCLSA-N 0 0 229.323 2.968 50 0 BFAARN O=C(NCc1cccs1)c1cc(Cl)c[nH]1 ZINC000023239015 182263756 /nfs/dbraw/zinc/26/37/56/182263756.db2.gz LZWZSPDCRKVCIC-UHFFFAOYSA-N 0 0 240.715 2.660 50 0 BFAARN O=C(NCc1ccccc1F)[C@H]1CC=CCC1 ZINC000009218187 182257476 /nfs/dbraw/zinc/25/74/76/182257476.db2.gz IFTKJLBABJJPFT-NSHDSACASA-N 0 0 233.286 2.798 50 0 BFAARN O=C(NCc1ccccc1)c1ccccc1F ZINC000000041263 182257677 /nfs/dbraw/zinc/25/76/77/182257677.db2.gz UGXWQXTTYOYCCP-UHFFFAOYSA-N 0 0 229.254 2.756 50 0 BFAARN O=C(NCc1ccccn1)NC1CCCCCC1 ZINC000009379414 182258306 /nfs/dbraw/zinc/25/83/06/182258306.db2.gz FIXRGPDNGSZMIC-UHFFFAOYSA-N 0 0 247.342 2.604 50 0 BFAARN O=C(NCc1cccnc1)c1ccc(Cl)cc1 ZINC000000299189 182260353 /nfs/dbraw/zinc/26/03/53/182260353.db2.gz FQFDVBNHWMQOKX-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN O=C(NCc1cccnc1)c1ccccc1Cl ZINC000000029566 182260426 /nfs/dbraw/zinc/26/04/26/182260426.db2.gz NQAGJPZQALILOT-UHFFFAOYSA-N 0 0 246.697 2.665 50 0 BFAARN Cc1cccc(NC2=NC(=O)C[C@@H](C)S2)c1 ZINC000071784246 374289691 /nfs/dbraw/zinc/28/96/91/374289691.db2.gz DGKATKYBAUJTRV-SECBINFHSA-N 0 0 234.324 2.815 50 0 BFAARN COC(=O)/C(=C/c1cccs1)c1ccncc1 ZINC000071795735 374290733 /nfs/dbraw/zinc/29/07/33/374290733.db2.gz RBRDUYKJESEDCK-FMIVXFBMSA-N 0 0 245.303 2.857 50 0 BFAARN CCC[C@@H]1CCCC[C@@H]1NC(=O)NCC ZINC000071796298 374293098 /nfs/dbraw/zinc/29/30/98/374293098.db2.gz JGIMTQYGTUYZSK-MNOVXSKESA-N 0 0 212.337 2.664 50 0 BFAARN O=C(NCc1ccsc1)c1ccc(F)cc1 ZINC000013698104 182268050 /nfs/dbraw/zinc/26/80/50/182268050.db2.gz RDYDXGWWGGYETG-UHFFFAOYSA-N 0 0 235.283 2.817 50 0 BFAARN CC(C)Cc1noc(CN2CCC[C@H](C)C2)n1 ZINC000042665634 374282237 /nfs/dbraw/zinc/28/22/37/374282237.db2.gz ZGOVAMWMOVGFGE-NSHDSACASA-N 0 0 237.347 2.500 50 0 BFAARN O=C(NOCc1ccccc1F)c1ccccc1 ZINC000000295646 182284657 /nfs/dbraw/zinc/28/46/57/182284657.db2.gz ZHKYHYOWOSZPNH-UHFFFAOYSA-N 0 0 245.253 2.687 50 0 BFAARN O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(F)cc1 ZINC000000619209 182318061 /nfs/dbraw/zinc/31/80/61/182318061.db2.gz XDAXZWOFMILOJN-UFGOTCBOSA-N 0 0 233.286 2.744 50 0 BFAARN O=C(N[C@@H]1CCc2cc(F)ccc21)C1CCC1 ZINC000048974587 182312151 /nfs/dbraw/zinc/31/21/51/182312151.db2.gz OTLRTRYFGMDLOZ-CYBMUJFWSA-N 0 0 233.286 2.729 50 0 BFAARN O=C(N[C@H]1CC=CCC1)[C@H]1CCC(F)(F)C1 ZINC000336538155 182327012 /nfs/dbraw/zinc/32/70/12/182327012.db2.gz XEDYOJLVZQBAAH-UWVGGRQHSA-N 0 0 229.270 2.647 50 0 BFAARN O=C(N[C@H]1CCCOc2ccccc21)C1CCC1 ZINC000069515133 182331575 /nfs/dbraw/zinc/33/15/75/182331575.db2.gz YHHABJQIFWCFDG-ZDUSSCGKSA-N 0 0 245.322 2.817 50 0 BFAARN O=C(N[C@H]1CCc2ccccc21)c1ccco1 ZINC000044891852 182340474 /nfs/dbraw/zinc/34/04/74/182340474.db2.gz WQEPWIROHARGRB-LBPRGKRZSA-N 0 0 227.263 2.697 50 0 BFAARN O=C(Nc1ccc(F)c(Cl)c1)C1CC1 ZINC000002750619 182354648 /nfs/dbraw/zinc/35/46/48/182354648.db2.gz MQROLXOLPCRLRH-UHFFFAOYSA-N 0 0 213.639 2.828 50 0 BFAARN O=C(Nc1nccs1)Nc1ccc(F)cc1 ZINC000000236621 182355682 /nfs/dbraw/zinc/35/56/82/182355682.db2.gz FLRRKLSSERTNQH-UHFFFAOYSA-N 0 0 237.259 2.926 50 0 BFAARN O=C(Nc1ccc(F)cc1Cl)C(F)(F)F ZINC000004857392 182357171 /nfs/dbraw/zinc/35/71/71/182357171.db2.gz BWRDLNUQULVMAA-UHFFFAOYSA-N 0 0 241.571 2.980 50 0 BFAARN O=C(Nc1cc(-c2ccccc2)[nH]n1)C1CCC1 ZINC000028304987 182346786 /nfs/dbraw/zinc/34/67/86/182346786.db2.gz HKCPYYVAPIHWJK-UHFFFAOYSA-N 0 0 241.294 2.815 50 0 BFAARN O=C(Nc1ccc2ccccc2n1)c1ccncc1 ZINC000036394911 182365186 /nfs/dbraw/zinc/36/51/86/182365186.db2.gz XCGRPBLBMCNGBY-UHFFFAOYSA-N 0 0 249.273 2.882 50 0 BFAARN O=C(Nc1ccccc1)NC1CCCC1 ZINC000000247337 182376161 /nfs/dbraw/zinc/37/61/61/182376161.db2.gz KODZEKGCUPWVLU-UHFFFAOYSA-N 0 0 204.273 2.751 50 0 BFAARN O=C(Nc1ccccc1)c1cc(Cl)ccn1 ZINC000001703886 182376669 /nfs/dbraw/zinc/37/66/69/182376669.db2.gz OXCAWSPZTRRBLP-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1ccccc1)[C@@H](O)C1CCCCC1 ZINC000000332048 182376987 /nfs/dbraw/zinc/37/69/87/182376987.db2.gz KNNBOEMWWVSUES-ZDUSSCGKSA-N 0 0 233.311 2.566 50 0 BFAARN O=C(Nc1ccccc1Cl)NC1CC1 ZINC000000381046 182377757 /nfs/dbraw/zinc/37/77/57/182377757.db2.gz KOMUOBBMWOSPEZ-UHFFFAOYSA-N 0 0 210.664 2.624 50 0 BFAARN O=C(Nc1ccccc1)c1ccc(O)cc1 ZINC000000151721 182378381 /nfs/dbraw/zinc/37/83/81/182378381.db2.gz RMHMYTLAUXIOPR-UHFFFAOYSA-N 0 0 213.236 2.645 50 0 BFAARN O=C(Nc1ccccc1)c1ccnc(Cl)c1 ZINC000019813371 182378395 /nfs/dbraw/zinc/37/83/95/182378395.db2.gz LTAXNWGTCKPZGT-UHFFFAOYSA-N 0 0 232.670 2.987 50 0 BFAARN O=C(Nc1cccc(F)c1)N1CCC=C(F)C1 ZINC000272428780 182369107 /nfs/dbraw/zinc/36/91/07/182369107.db2.gz CPCYDZLAFULQBY-UHFFFAOYSA-N 0 0 238.237 2.917 50 0 BFAARN O=C(Nc1cccc(F)c1)c1ccco1 ZINC000000240836 182370658 /nfs/dbraw/zinc/37/06/58/182370658.db2.gz CRFVCSSNFZFGDB-UHFFFAOYSA-N 0 0 205.188 2.671 50 0 BFAARN O=C(Nc1cccc2c1CCCC2)[C@H]1CCCO1 ZINC000012977122 182372884 /nfs/dbraw/zinc/37/28/84/182372884.db2.gz NHILHOFDCUTEMB-CQSZACIVSA-N 0 0 245.322 2.683 50 0 BFAARN O=C(Nc1cnc2ccccn12)c1ccccc1 ZINC000028294861 182392637 /nfs/dbraw/zinc/39/26/37/182392637.db2.gz OOZLAEQIBUAWLY-UHFFFAOYSA-N 0 0 237.262 2.587 50 0 BFAARN O=C(Nc1ccccc1O)c1cc(Cl)c[nH]1 ZINC000044891941 182379828 /nfs/dbraw/zinc/37/98/28/182379828.db2.gz IBAFXALESRATJU-UHFFFAOYSA-N 0 0 236.658 2.626 50 0 BFAARN O=C(Nc1ccccc1O)c1ccc(F)cc1F ZINC000014704296 182380841 /nfs/dbraw/zinc/38/08/41/182380841.db2.gz MKZZFGGBGQVIFR-UHFFFAOYSA-N 0 0 249.216 2.923 50 0 BFAARN O=C(Nc1cccs1)OCC(F)(F)F ZINC000058038071 182384973 /nfs/dbraw/zinc/38/49/73/182384973.db2.gz KHZDHCVOPQWNOV-UHFFFAOYSA-N 0 0 225.191 2.859 50 0 BFAARN O=C([O-])CCC[NH2+]Cc1cccc2ccccc21 ZINC000004336238 182441146 /nfs/dbraw/zinc/44/11/46/182441146.db2.gz KASSMRGLAONQNF-UHFFFAOYSA-N 0 0 243.306 2.794 50 0 BFAARN CCCCNc1c(N)ccc(F)c1F ZINC000053163487 168877573 /nfs/dbraw/zinc/87/75/73/168877573.db2.gz INIYEAMWMXGPMD-UHFFFAOYSA-N 0 0 200.232 2.759 50 0 BFAARN O=C(c1cc(C2CC2)n[nH]1)N1CCCCCCC1 ZINC000044858191 182647865 /nfs/dbraw/zinc/64/78/65/182647865.db2.gz ZGIVEBXMAODAEA-UHFFFAOYSA-N 0 0 247.342 2.693 50 0 BFAARN O=C(c1ccc(F)c(F)c1)N1CCCCCC1 ZINC000000139740 182659419 /nfs/dbraw/zinc/65/94/19/182659419.db2.gz CHWZUXSUNJTJNH-UHFFFAOYSA-N 0 0 239.265 2.981 50 0 BFAARN O=C(c1ccccc1)[C@@H]1N[C@H]1c1ccccc1 ZINC000057211576 182677259 /nfs/dbraw/zinc/67/72/59/182677259.db2.gz SUHPZGRFOCEHTL-UONOGXRCSA-N 0 0 223.275 2.582 50 0 BFAARN O=C(c1cscn1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000087772035 182706279 /nfs/dbraw/zinc/70/62/79/182706279.db2.gz HPPJLIVZOORYBH-ONGXEEELSA-N 0 0 236.340 2.548 50 0 BFAARN O=C1/C(=C/c2ccccc2)N=C2CCCCCN12 ZINC000003198465 182711583 /nfs/dbraw/zinc/71/15/83/182711583.db2.gz WCOFYCYVMITNMB-QBFSEMIESA-N 0 0 240.306 2.842 50 0 BFAARN O=C1CCC(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000000101420 182723065 /nfs/dbraw/zinc/72/30/65/182723065.db2.gz CFZLNRGUBAVQNO-UHFFFAOYSA-N 0 0 244.077 2.647 50 0 in-vitro BFAARN O=C1CCC=C2C[C@H]3CC[C@]1(Br)[C@@H]23 ZINC000071786626 182725531 /nfs/dbraw/zinc/72/55/31/182725531.db2.gz GMQSKQRHABJCIL-DVVUODLYSA-N 0 0 241.128 2.839 50 0 BFAARN O=C1CSc2ccc(C(F)(F)F)cc2N1 ZINC000004070985 182772026 /nfs/dbraw/zinc/77/20/26/182772026.db2.gz CDCYQWJTDZXFCS-UHFFFAOYSA-N 0 0 233.214 2.750 50 0 BFAARN O=C1N[C@@H](c2ccc(F)cc2)Oc2ccccc21 ZINC000003190168 182818649 /nfs/dbraw/zinc/81/86/49/182818649.db2.gz ASXUYEWEUQLTDG-CQSZACIVSA-N 0 0 243.237 2.647 50 0 BFAARN O=C1N[C@H](c2ccsc2)Nc2ccccc21 ZINC000009605206 182821217 /nfs/dbraw/zinc/82/12/17/182821217.db2.gz PGLBWNFBCAERDG-LLVKDONJSA-N 0 0 230.292 2.602 50 0 BFAARN O=C1c2ccccc2COc2cc(F)ccc21 ZINC000090558508 182845787 /nfs/dbraw/zinc/84/57/87/182845787.db2.gz BZAIXEGWNRZEFA-UHFFFAOYSA-N 0 0 228.222 2.949 50 0 BFAARN O=CNC1c2ccccc2Oc2ccccc21 ZINC000000190066 182852298 /nfs/dbraw/zinc/85/22/98/182852298.db2.gz GPXHRDQLQISAMT-UHFFFAOYSA-N 0 0 225.247 2.628 50 0 BFAARN O=Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000000337621 182868156 /nfs/dbraw/zinc/86/81/56/182868156.db2.gz BSRNAEAEMHMUNW-UHFFFAOYSA-N 0 0 236.274 2.897 50 0 BFAARN O=S(=O)(c1ccsc1)c1ccsc1 ZINC000000115881 182906294 /nfs/dbraw/zinc/90/62/94/182906294.db2.gz SXSCQXYDPKQSFK-UHFFFAOYSA-N 0 0 230.335 2.642 50 0 BFAARN O=[PH](OCC(F)(F)F)OCC(F)(F)F ZINC000150341429 182962168 /nfs/dbraw/zinc/96/21/68/182962168.db2.gz NYQKUVUXMIHXEA-UHFFFAOYSA-N 0 0 246.043 2.534 50 0 BFAARN CCCC[C@@H](C)C(=O)N1CCC[C@H]2OCC[C@H]21 ZINC000225704522 168936732 /nfs/dbraw/zinc/93/67/32/168936732.db2.gz YGPNQFSSTFFSTA-JHJVBQTASA-N 0 0 239.359 2.593 50 0 BFAARN O=[S@]1c2ccccc2Nc2ccc(O)cc21 ZINC000071777897 182964930 /nfs/dbraw/zinc/96/49/30/182964930.db2.gz NKNOZWHLHDFNKU-MRXNPFEDSA-N 0 0 231.276 2.616 50 0 BFAARN O=c1[nH]c(-c2cccs2)nc2ccccc21 ZINC000005075192 182969389 /nfs/dbraw/zinc/96/93/89/182969389.db2.gz SVVNZCGMBNAQFW-UHFFFAOYSA-N 0 0 228.276 2.652 50 0 BFAARN O=c1ccc(C(F)(F)F)nn1[C@H]1C=CCCC1 ZINC000178878220 182999097 /nfs/dbraw/zinc/99/90/97/182999097.db2.gz LMIPHYKKKHJZFL-QMMMGPOBSA-N 0 0 244.216 2.543 50 0 BFAARN O=c1ccc2cc(C(F)(F)F)ccc2[nH]1 ZINC000026474751 183000676 /nfs/dbraw/zinc/00/06/76/183000676.db2.gz CPOPNSYBDVMTGJ-UHFFFAOYSA-N 0 0 213.158 2.547 50 0 BFAARN O=c1ccccn1CCc1ccccc1Cl ZINC000098016373 183001945 /nfs/dbraw/zinc/00/19/45/183001945.db2.gz CFAOXWYAKQNXFO-UHFFFAOYSA-N 0 0 233.698 2.744 50 0 BFAARN O=c1cccc(CCCCOc2ccccc2)[nH]1 ZINC000091452416 183002100 /nfs/dbraw/zinc/00/21/00/183002100.db2.gz MPQVRYZLYFFRIB-UHFFFAOYSA-N 0 0 243.306 2.777 50 0 BFAARN O=c1ccccn1CCOc1ccc(Cl)cc1 ZINC000000550831 183002761 /nfs/dbraw/zinc/00/27/61/183002761.db2.gz HVYAMWPWVMOARX-UHFFFAOYSA-N 0 0 249.697 2.581 50 0 BFAARN O=c1oc(-c2cccc(F)c2)nc2ccccc21 ZINC000000079229 183011356 /nfs/dbraw/zinc/01/13/56/183011356.db2.gz JMWKOCNOMNRNEE-UHFFFAOYSA-N 0 0 241.221 2.994 50 0 BFAARN O=c1oc(-c2cccs2)nn1[C@@H]1C=CCCC1 ZINC000058428231 183011718 /nfs/dbraw/zinc/01/17/18/183011718.db2.gz WKQNQLXAGRGYQU-SECBINFHSA-N 0 0 248.307 2.846 50 0 BFAARN OCCCCCn1ccc2ccccc21 ZINC000104294343 183048540 /nfs/dbraw/zinc/04/85/40/183048540.db2.gz TXJPSIJDJVIUTI-UHFFFAOYSA-N 0 0 203.285 2.804 50 0 BFAARN OCC/C=C/CCCCO[C@H]1CCCCO1 ZINC000043761500 183034751 /nfs/dbraw/zinc/03/47/51/183034751.db2.gz BSDWMRHTDLMCNJ-KNVIWWDSSA-N 0 0 228.332 2.639 50 0 BFAARN OCCCc1cccc(NCc2cncs2)c1 ZINC000097081290 183063881 /nfs/dbraw/zinc/06/38/81/183063881.db2.gz YWSMNZIANWHJJR-UHFFFAOYSA-N 0 0 248.351 2.680 50 0 BFAARN OCCCc1ccc(Br)cc1F ZINC000060701444 183063961 /nfs/dbraw/zinc/06/39/61/183063961.db2.gz FCONJJUHDSNWII-UHFFFAOYSA-N 0 0 233.080 2.513 50 0 BFAARN OCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000026462067 183065120 /nfs/dbraw/zinc/06/51/20/183065120.db2.gz JWXBWRZLAGOIBU-UHFFFAOYSA-N 0 0 245.109 2.795 50 0 BFAARN OCC[C@@H](c1ccccc1)C(F)(F)F ZINC000059078177 183091173 /nfs/dbraw/zinc/09/11/73/183091173.db2.gz PHGDLNUUBPOOAV-VIFPVBQESA-N 0 0 204.191 2.715 50 0 BFAARN OCCc1ccc(-c2noc(C3CCC3)n2)cc1 ZINC000032519446 183100011 /nfs/dbraw/zinc/10/00/11/183100011.db2.gz RSGSVVPPMHUKNH-UHFFFAOYSA-N 0 0 244.294 2.539 50 0 BFAARN CCCC[C@H](NC(C)=O)c1nc2ccccc2[nH]1 ZINC000001926997 169011985 /nfs/dbraw/zinc/01/19/85/169011985.db2.gz VLULDFKKUDHYHH-ZDUSSCGKSA-N 0 0 245.326 2.930 50 0 BFAARN CCCC[C@H]1CCC[C@@H]1NC(=O)NCC ZINC000069721580 169014222 /nfs/dbraw/zinc/01/42/22/169014222.db2.gz WGMJPGNUFBEONY-QWRGUYRKSA-N 0 0 212.337 2.664 50 0 BFAARN CCCCc1cc(NC(=O)c2ccncc2)on1 ZINC000081761165 169017795 /nfs/dbraw/zinc/01/77/95/169017795.db2.gz CUXBVJAKRRJQDD-UHFFFAOYSA-N 0 0 245.282 2.665 50 0 BFAARN CCCCc1ccc(NS(=O)(=O)CC)cc1 ZINC000002790587 169021634 /nfs/dbraw/zinc/02/16/34/169021634.db2.gz KMEVRAUGBSPIAL-UHFFFAOYSA-N 0 0 241.356 2.791 50 0 BFAARN CCCCn1c2ccccc2sc1=N ZINC000100725993 169032162 /nfs/dbraw/zinc/03/21/62/169032162.db2.gz VLKXIFCCLWWJMX-UHFFFAOYSA-N 0 0 206.314 2.982 50 0 BFAARN CCCCn1c(=O)cc(O)c2ccccc21 ZINC000100295020 169032184 /nfs/dbraw/zinc/03/21/84/169032184.db2.gz YHNLJAIQFUBFPF-UHFFFAOYSA-N 0 0 217.268 2.507 50 0 BFAARN OCc1cc(C(F)(F)F)nc(C(F)(F)F)c1 ZINC000071789055 183160733 /nfs/dbraw/zinc/16/07/33/183160733.db2.gz UBVZPATWMLNESO-UHFFFAOYSA-N 0 0 245.122 2.612 50 0 BFAARN O[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000008617722 183184379 /nfs/dbraw/zinc/18/43/79/183184379.db2.gz CQZLNPXEFGITEZ-LBPRGKRZSA-N 0 0 219.671 2.817 50 0 BFAARN OCc1noc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000000076777 183171285 /nfs/dbraw/zinc/17/12/85/183171285.db2.gz SHVXQHKUAJGNBL-UHFFFAOYSA-N 0 0 245.065 2.536 50 0 BFAARN CCCN(C)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000069104124 169056692 /nfs/dbraw/zinc/05/66/92/169056692.db2.gz RWBDAHYHTPULSN-STQMWFEESA-N 0 0 232.327 2.594 50 0 BFAARN O[C@@H](Cc1nc2ccccc2[nH]1)c1cccs1 ZINC000024060102 183185054 /nfs/dbraw/zinc/18/50/54/183185054.db2.gz VVNWMABUIGWULI-NSHDSACASA-N 0 0 244.319 2.901 50 0 BFAARN O[C@@H]1CCC[C@H]1Nc1ccccc1Cl ZINC000037689904 183196351 /nfs/dbraw/zinc/19/63/51/183196351.db2.gz YXXTYANVBPPGJY-GHMZBOCLSA-N 0 0 211.692 2.665 50 0 BFAARN O[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000000217518 183197611 /nfs/dbraw/zinc/19/76/11/183197611.db2.gz CBZKXAKTSOBSGM-SNVBAGLBSA-N 0 0 246.137 2.560 50 0 BFAARN O[C@@H](c1cccc2cc[nH]c21)C(F)(F)F ZINC000066338892 183185897 /nfs/dbraw/zinc/18/58/97/183185897.db2.gz OCSJDSSFVBWSFW-VIFPVBQESA-N 0 0 215.174 2.764 50 0 BFAARN CCCN(C)C(=O)c1ccc(Cl)c(F)c1 ZINC000130377749 169061163 /nfs/dbraw/zinc/06/11/63/169061163.db2.gz PDSMMHOMRQBQDN-UHFFFAOYSA-N 0 0 229.682 2.961 50 0 BFAARN O[C@@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000038435230 183189194 /nfs/dbraw/zinc/18/91/94/183189194.db2.gz OZOOGFVOCPMNTN-OLZOCXBDSA-N 0 0 206.285 2.507 50 0 BFAARN O[C@@H]1CCCC[C@@H]1n1cnc2ccccc21 ZINC000012323768 183190865 /nfs/dbraw/zinc/19/08/65/183190865.db2.gz VUBLCPRAFDAFRO-QWHCGFSZSA-N 0 0 216.284 2.512 50 0 BFAARN O[C@H](/C=C/c1ccccc1)c1cccnc1 ZINC000005162282 183217574 /nfs/dbraw/zinc/21/75/74/183217574.db2.gz VSRIZGGWJMIHIO-MYSGNRETSA-N 0 0 211.264 2.828 50 0 BFAARN O[C@H]1/C(=C\c2ccccc2Cl)N2CCC1CC2 ZINC000000192700 183230455 /nfs/dbraw/zinc/23/04/55/183230455.db2.gz FWQZIYFJKFBOIY-KADHNRKRSA-N 0 0 249.741 2.767 50 0 BFAARN O[C@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000000217526 183240332 /nfs/dbraw/zinc/24/03/32/183240332.db2.gz CBZKXAKTSOBSGM-JTQLQIEISA-N 0 0 246.137 2.560 50 0 BFAARN O[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000039332296 183242188 /nfs/dbraw/zinc/24/21/88/183242188.db2.gz RRLMGKSFHNZBGB-QMMMGPOBSA-N 0 0 221.687 2.671 50 0 BFAARN O[C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000042405575 183242321 /nfs/dbraw/zinc/24/23/21/183242321.db2.gz MSBZPTHVBLQOPJ-QMMMGPOBSA-N 0 0 203.068 2.973 50 0 BFAARN O[C@@H]1c2ccsc2CCc2ccccc21 ZINC000000174177 183249378 /nfs/dbraw/zinc/24/93/78/183249378.db2.gz XOLDLQLMMZSXAR-ZDUSSCGKSA-N 0 0 216.305 2.928 50 0 BFAARN O=c1cc(-c2ccc(Br)cc2)[nH][nH]1 ZINC000000032601 183254600 /nfs/dbraw/zinc/25/46/00/183254600.db2.gz NIEUMLZXCZNYEF-UHFFFAOYSA-N 0 0 239.072 2.545 50 0 BFAARN O[C@H]1CCC[C@@H]1Nc1ccc2ccccc2n1 ZINC000195575369 183237116 /nfs/dbraw/zinc/23/71/16/183237116.db2.gz IQAYUXVPACNULT-STQMWFEESA-N 0 0 228.295 2.560 50 0 BFAARN Oc1ccc(CCc2ccc(O)cc2)cc1 ZINC000001562031 183269510 /nfs/dbraw/zinc/26/95/10/183269510.db2.gz URFNSYWAGGETFK-UHFFFAOYSA-N 0 0 214.264 2.883 50 0 in-vitro BFAARN Oc1ccc(CCc2cccc(O)c2)cc1 ZINC000000899157 183269595 /nfs/dbraw/zinc/26/95/95/183269595.db2.gz ILEYXPCRQKRNIJ-UHFFFAOYSA-N 0 0 214.264 2.883 50 0 biogenic,in-vitro BFAARN Oc1ccc(Cl)c(Br)c1 ZINC000002545218 183271793 /nfs/dbraw/zinc/27/17/93/183271793.db2.gz JLFFHIKASCUQRL-UHFFFAOYSA-N 0 0 207.454 2.808 50 0 BFAARN Oc1ccc(F)c([C@H](O)c2cccc(F)c2)c1 ZINC000261493751 183272867 /nfs/dbraw/zinc/27/28/67/183272867.db2.gz IOYPEJWEABBJCA-CYBMUJFWSA-N 0 0 236.217 2.752 50 0 BFAARN Oc1ccc(Oc2ccc(F)cc2)nc1 ZINC000148802421 183277277 /nfs/dbraw/zinc/27/72/77/183277277.db2.gz ISISINCVBHRXTL-UHFFFAOYSA-N 0 0 205.188 2.719 50 0 BFAARN Oc1ccc(OC2CCCC2)c(F)c1F ZINC000261494455 183277517 /nfs/dbraw/zinc/27/75/17/183277517.db2.gz YCJUKVONSGZJGR-UHFFFAOYSA-N 0 0 214.211 2.992 50 0 BFAARN Oc1cc2ccoc2c(Br)c1 ZINC000095775395 183257512 /nfs/dbraw/zinc/25/75/12/183257512.db2.gz JTCHQLUMIXTTFH-UHFFFAOYSA-N 0 0 213.030 2.901 50 0 BFAARN Oc1cc(F)c(Cl)c(Br)c1 ZINC000263623663 183258514 /nfs/dbraw/zinc/25/85/14/183258514.db2.gz JLHNWRBZQQAWRC-UHFFFAOYSA-N 0 0 225.444 2.947 50 0 BFAARN Oc1ccc(/C=C/c2cc(O)cc(O)c2)c(O)c1 ZINC000000899161 183261232 /nfs/dbraw/zinc/26/12/32/183261232.db2.gz PDHAOJSHSJQANO-OWOJBTEDSA-N 0 0 244.246 2.679 50 0 biogenic,in-vivo BFAARN Oc1ccc2nc(OC(F)F)ccc2c1 ZINC000091362293 183286569 /nfs/dbraw/zinc/28/65/69/183286569.db2.gz QMROPQCQPJHIHN-UHFFFAOYSA-N 0 0 211.167 2.542 50 0 BFAARN Oc1ccccc1OCCOc1ccccc1O ZINC000002030380 183302987 /nfs/dbraw/zinc/30/29/87/183302987.db2.gz PRYNAEBLJBDWPF-UHFFFAOYSA-N 0 0 246.262 2.556 50 0 BFAARN Oc1ccccc1OCc1ccccc1 ZINC000000406909 183304215 /nfs/dbraw/zinc/30/42/15/183304215.db2.gz CCZCXFHJMKINPE-UHFFFAOYSA-N 0 0 200.237 2.971 50 0 biogenic BFAARN S=c1nc[nH]c2sc3c(c21)CCC3 ZINC000001793956 183315196 /nfs/dbraw/zinc/31/51/96/183315196.db2.gz UZIFVIYMKOHMQD-UHFFFAOYSA-N 0 0 208.311 2.843 50 0 BFAARN c1c[nH]c(C(c2ccc[nH]2)c2ccncc2)c1 ZINC000030677703 183323712 /nfs/dbraw/zinc/32/37/12/183323712.db2.gz RPABFDPAGHDWCQ-UHFFFAOYSA-N 0 0 223.279 2.918 50 0 BFAARN S=C(NCc1ccco1)NC1CCCCC1 ZINC000002596068 183311407 /nfs/dbraw/zinc/31/14/07/183311407.db2.gz DKDGIRZQJZLONG-UHFFFAOYSA-N 0 0 238.356 2.576 50 0 BFAARN S=C(NCc1ccccc1)Nc1ccccn1 ZINC000000080953 183311469 /nfs/dbraw/zinc/31/14/69/183311469.db2.gz KDXKGWLTZXBZDC-UHFFFAOYSA-N 0 0 243.335 2.568 50 0 BFAARN S=C1NC2(CCCCC2)NC2=C1CCCC2 ZINC000000238921 183312683 /nfs/dbraw/zinc/31/26/83/183312683.db2.gz XKGVINWHWGXNSZ-UHFFFAOYSA-N 0 0 236.384 2.995 50 0 BFAARN S=C(c1c[nH]c2ccccc12)N1CCCC1 ZINC000000198314 183312707 /nfs/dbraw/zinc/31/27/07/183312707.db2.gz GCHKVHJBPKTOPQ-UHFFFAOYSA-N 0 0 230.336 2.939 50 0 BFAARN CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000000093800 169211700 /nfs/dbraw/zinc/21/17/00/169211700.db2.gz SYXCGDBAJXDIOY-UHFFFAOYSA-N 0 0 247.319 2.759 50 0 BFAARN CCCNC(=O)/C=C/c1nc2ccccc2s1 ZINC000012694674 169212883 /nfs/dbraw/zinc/21/28/83/169212883.db2.gz HZFATZGAACUWRS-BQYQJAHWSA-N 0 0 246.335 2.836 50 0 BFAARN CCCNC(=S)Nc1ccc(OCC)cc1 ZINC000002929706 169254288 /nfs/dbraw/zinc/25/42/88/169254288.db2.gz KTFNAZDHGKHQKY-UHFFFAOYSA-N 0 0 238.356 2.782 50 0 BFAARN c1cc2c(cc1N1CCCC1)NCCC2 ZINC000032010098 183369646 /nfs/dbraw/zinc/36/96/46/183369646.db2.gz PPDHCSPPTALYBJ-UHFFFAOYSA-N 0 0 202.301 2.645 50 0 BFAARN CCCNC(=O)N[C@H](C)c1ccc(C)cc1 ZINC000013321252 169238204 /nfs/dbraw/zinc/23/82/04/169238204.db2.gz RBQURYMAUYGLIZ-LLVKDONJSA-N 0 0 220.316 2.765 50 0 BFAARN CCCNC(=O)Nc1cc(Cl)ccc1OC ZINC000001640222 169239589 /nfs/dbraw/zinc/23/95/89/169239589.db2.gz VFXKQKBPPNZHAR-UHFFFAOYSA-N 0 0 242.706 2.880 50 0 BFAARN CCCNC(=O)Nc1ccccc1OCC ZINC000001741019 169239963 /nfs/dbraw/zinc/23/99/63/169239963.db2.gz ZFJIHLDDGOHQNP-UHFFFAOYSA-N 0 0 222.288 2.617 50 0 BFAARN CCCNC(=O)Nc1ccc(F)cc1C ZINC000006729634 169240111 /nfs/dbraw/zinc/24/01/11/169240111.db2.gz GJTPIILDTGJGKL-UHFFFAOYSA-N 0 0 210.252 2.666 50 0 BFAARN CCCNC(=O)Nc1ccc(Cl)cc1 ZINC000001701535 169240169 /nfs/dbraw/zinc/24/01/69/169240169.db2.gz ZOHMWYYUJMHIGF-UHFFFAOYSA-N 0 0 212.680 2.872 50 0 BFAARN CCCNC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000006698936 169240378 /nfs/dbraw/zinc/24/03/78/169240378.db2.gz FPUCBDCUIFPEGY-UHFFFAOYSA-N 0 0 242.706 2.880 50 0 BFAARN CCCNC(=O)[C@H](C)Nc1cccc(C)c1C ZINC000020312725 169247671 /nfs/dbraw/zinc/24/76/71/169247671.db2.gz BBLKIIHEYSEMDG-LBPRGKRZSA-N 0 0 234.343 2.630 50 0 BFAARN c1ccc(-c2nnc(-c3ccccc3)nn2)cc1 ZINC000000350319 183383421 /nfs/dbraw/zinc/38/34/21/183383421.db2.gz XAUWSIIGUUMHQQ-UHFFFAOYSA-N 0 0 234.262 2.601 50 0 BFAARN c1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000000402110 183384699 /nfs/dbraw/zinc/38/46/99/183384699.db2.gz WEIRTCYAWLTKFW-UHFFFAOYSA-N 0 0 221.263 2.934 50 0 BFAARN c1ccc(-c2nnc3sc(C4CC4)nn32)cc1 ZINC000000385215 183384985 /nfs/dbraw/zinc/38/49/85/183384985.db2.gz LRMXNODIGNLIAS-UHFFFAOYSA-N 0 0 242.307 2.730 50 0 BFAARN CCCNC(=O)c1cc2ccccc2o1 ZINC000016639658 169250623 /nfs/dbraw/zinc/25/06/23/169250623.db2.gz TTZUHVLIJIAIOG-UHFFFAOYSA-N 0 0 203.241 2.573 50 0 BFAARN CCCNC(=O)c1cccc2c1CCCC2 ZINC000096171084 169252422 /nfs/dbraw/zinc/25/24/22/169252422.db2.gz GIADTOIWGAYGOO-UHFFFAOYSA-N 0 0 217.312 2.705 50 0 BFAARN c1ccc(C2=NCCN3[C@@H]2[C@@H]3c2ccccc2)cc1 ZINC000023243461 183389596 /nfs/dbraw/zinc/38/95/96/183389596.db2.gz QVPANXFAXRPUEK-YGYNJSFOSA-N 0 0 248.329 2.915 50 0 BFAARN c1ccc(CCSCCc2ccccn2)nc1 ZINC000039339602 183394927 /nfs/dbraw/zinc/39/49/27/183394927.db2.gz RXAXTHBQQSPZMJ-UHFFFAOYSA-N 0 0 244.363 2.995 50 0 BFAARN CCCOc1c(C=O)cccc1OCC ZINC000003887665 169313004 /nfs/dbraw/zinc/31/30/04/169313004.db2.gz NGLILBQTESXZCG-UHFFFAOYSA-N 0 0 208.257 2.687 50 0 BFAARN CCCOc1cc(Cl)cc(N)c1NC ZINC000033358725 169315495 /nfs/dbraw/zinc/31/54/95/169315495.db2.gz NYWXKBOXZIVUHV-UHFFFAOYSA-N 0 0 214.696 2.753 50 0 BFAARN c1ccc([C@H]2CC(c3cccnc3)=NO2)cc1 ZINC000000064730 183432320 /nfs/dbraw/zinc/43/23/20/183432320.db2.gz SYCIBYJUPBHOCG-CQSZACIVSA-N 0 0 224.263 2.947 50 0 BFAARN CCCNc1cc(C)c(Br)cn1 ZINC000042783841 169293827 /nfs/dbraw/zinc/29/38/27/169293827.db2.gz LOPMKAGABPPDGM-UHFFFAOYSA-N 0 0 229.121 2.974 50 0 BFAARN CCCNc1nc(-c2ccccc2F)no1 ZINC000021922282 169295609 /nfs/dbraw/zinc/29/56/09/169295609.db2.gz ULINUYDRDKUQBT-UHFFFAOYSA-N 0 0 221.235 2.698 50 0 BFAARN CCCNc1nc(CC)nc2c(C)nn(CC)c21 ZINC000057355574 169295909 /nfs/dbraw/zinc/29/59/09/169295909.db2.gz PFLANHANNFLDEX-UHFFFAOYSA-N 0 0 247.346 2.539 50 0 BFAARN CCCOc1ccc(C=O)cc1Cn1ccnc1 ZINC000006659905 169317766 /nfs/dbraw/zinc/31/77/66/169317766.db2.gz JUPHOORCJSVMHL-UHFFFAOYSA-N 0 0 244.294 2.533 50 0 BFAARN CCCOc1ccc(Cn2ccccc2=O)cc1 ZINC000092283090 169319168 /nfs/dbraw/zinc/31/91/68/169319168.db2.gz VQNNFOLWDSBZQI-UHFFFAOYSA-N 0 0 243.306 2.685 50 0 BFAARN CCCOc1ccc(N)cc1OCCC ZINC000003308503 169319520 /nfs/dbraw/zinc/31/95/20/169319520.db2.gz VHXRZNPBQPRFRM-UHFFFAOYSA-N 0 0 209.289 2.846 50 0 BFAARN CCCOc1ccc(NC(=O)C2CC2)cc1 ZINC000002271856 169320356 /nfs/dbraw/zinc/32/03/56/169320356.db2.gz IUPXZFLTFDWCQQ-UHFFFAOYSA-N 0 0 219.284 2.824 50 0 BFAARN CCCOc1ncnc2c3ccccc3[nH]c21 ZINC000008690139 169329056 /nfs/dbraw/zinc/32/90/56/169329056.db2.gz PDNQLXYWZKGTEG-UHFFFAOYSA-N 0 0 227.267 2.900 50 0 BFAARN CCCSCC(=O)N1CCCC(C)(C)C1 ZINC000112684268 169336160 /nfs/dbraw/zinc/33/61/60/169336160.db2.gz QUUIJWGABUFXRE-UHFFFAOYSA-N 0 0 229.389 2.778 50 0 BFAARN c1ccc2c(c1)N[C@@H]([C@H]1Nc3ccccc3O1)O2 ZINC000012410539 183451066 /nfs/dbraw/zinc/45/10/66/183451066.db2.gz JLEHJOWNCWUHER-OKILXGFUSA-N 0 0 240.262 2.648 50 0 BFAARN CCC[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000000383582 169368682 /nfs/dbraw/zinc/36/86/82/169368682.db2.gz WEVIRYJSABXFDT-LLVKDONJSA-N 0 0 205.301 2.913 50 0 BFAARN c1sc(-c2cnccn2)nc1-c1cccnc1 ZINC000092196893 183488219 /nfs/dbraw/zinc/48/82/19/183488219.db2.gz WENFRIGLRSWOQO-UHFFFAOYSA-N 0 0 240.291 2.662 50 0 BFAARN c1coc(-c2ccnc3nc(C4CCC4)nn32)c1 ZINC000095480548 183504146 /nfs/dbraw/zinc/50/41/46/183504146.db2.gz TZLRMVFUIAYDIZ-UHFFFAOYSA-N 0 0 240.266 2.652 50 0 BFAARN c1csc(-c2noc(-c3cccnc3)n2)c1 ZINC000004686685 183490143 /nfs/dbraw/zinc/49/01/43/183490143.db2.gz YWJZRAHEPABBHR-UHFFFAOYSA-N 0 0 229.264 2.860 50 0 BFAARN CCCc1c(C)[nH]c2ccc(OC)cc2c1=O ZINC000008740061 169560216 /nfs/dbraw/zinc/56/02/16/169560216.db2.gz JSWGUNXDOYQJQZ-UHFFFAOYSA-N 0 0 231.295 2.798 50 0 biogenic BFAARN CCCc1nc2c(o1)CC(C)(C)CC2=O ZINC000000517189 169594327 /nfs/dbraw/zinc/59/43/27/169594327.db2.gz XXZXFJKESMKRTR-UHFFFAOYSA-N 0 0 207.273 2.782 50 0 biogenic BFAARN CCCc1noc(-c2ccc(Cl)nc2)n1 ZINC000022120376 169600424 /nfs/dbraw/zinc/60/04/24/169600424.db2.gz JOYIODGUAAZHNH-UHFFFAOYSA-N 0 0 223.663 2.738 50 0 BFAARN Brc1cccnc1N1CCCCC1 ZINC000019801037 532974420 /nfs/dbraw/zinc/97/44/20/532974420.db2.gz MRNXRQJABSSMNF-UHFFFAOYSA-N 0 0 241.132 2.834 50 0 BFAARN CC(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000000055175 383821553 /nfs/dbraw/zinc/82/15/53/383821553.db2.gz PJZVXHILLZKMEX-UHFFFAOYSA-N 0 0 226.279 2.631 50 0 BFAARN CCN(CC)c1ccc2c(C)cc(=O)oc2c1 ZINC000000057145 383821655 /nfs/dbraw/zinc/82/16/55/383821655.db2.gz AFYCEAFSNDLKSX-UHFFFAOYSA-N 0 0 231.295 2.948 50 0 biogenic,in-vitro BFAARN Cc1ccc(C)c(Oc2cc(F)nc(N)n2)c1 ZINC000000069704 383821754 /nfs/dbraw/zinc/82/17/54/383821754.db2.gz JKRIMACKJUDJRN-UHFFFAOYSA-N 0 0 233.246 2.607 50 0 BFAARN OC(COc1ccccc1)COc1ccccc1 ZINC000000066296 383822220 /nfs/dbraw/zinc/82/22/20/383822220.db2.gz NKCVHIPHZCIEFC-UHFFFAOYSA-N 0 0 244.290 2.505 50 0 BFAARN CC(C)(C)c1ccc(-c2nnc(N)o2)cc1 ZINC000000104381 383828027 /nfs/dbraw/zinc/82/80/27/383828027.db2.gz OISTTWCWVFSFNE-UHFFFAOYSA-N 0 0 217.272 2.616 50 0 BFAARN O=C1N[C@H](c2cccs2)Nc2ccccc21 ZINC000000079169 383824227 /nfs/dbraw/zinc/82/42/27/383824227.db2.gz ZYBQITBKNGCUHV-LLVKDONJSA-N 0 0 230.292 2.602 50 0 BFAARN CC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000000075107 383824860 /nfs/dbraw/zinc/82/48/60/383824860.db2.gz ZDAPLZCKWHZNPX-UHFFFAOYSA-N 0 0 220.297 2.698 50 0 BFAARN COC(=O)c1ccc(Br)c(C)c1 ZINC000000157030 383836172 /nfs/dbraw/zinc/83/61/72/383836172.db2.gz GTZTYNPAPQKIIR-UHFFFAOYSA-N 0 0 229.073 2.544 50 0 BFAARN O=Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000000165956 383838946 /nfs/dbraw/zinc/83/89/46/383838946.db2.gz PMKPJAJMBQBTKE-UHFFFAOYSA-N 0 0 240.184 2.908 50 0 BFAARN Cc1cc(=O)oc(C(Cl)(Cl)Cl)c1 ZINC000000165117 383839405 /nfs/dbraw/zinc/83/94/05/383839405.db2.gz NWTKBJNOJSTMMY-UHFFFAOYSA-N 0 0 227.474 2.775 50 0 BFAARN COC(=O)c1cc2ccc(Cl)cc2cn1 ZINC000066054672 383844662 /nfs/dbraw/zinc/84/46/62/383844662.db2.gz CMOINENCXVRJRP-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN COc1ccccc1NC(=O)Cc1ccccc1 ZINC000000236034 383846045 /nfs/dbraw/zinc/84/60/45/383846045.db2.gz BGJHYZZCNRCJSA-UHFFFAOYSA-N 0 0 241.290 2.876 50 0 BFAARN COc1ccc(Cl)cc1NC(=O)C1CC1 ZINC000000253612 383847995 /nfs/dbraw/zinc/84/79/95/383847995.db2.gz BKTSFYSLHSIWKU-UHFFFAOYSA-N 0 0 225.675 2.697 50 0 BFAARN C/C=C/C=C\C(=O)Nc1cccc(NC(C)=O)c1 ZINC000096640026 383849229 /nfs/dbraw/zinc/84/92/29/383849229.db2.gz ODTIWVBLVISLNR-BEHOXYOFSA-N 0 0 244.294 2.716 50 0 BFAARN Cc1nn(Cc2ccccc2)c2ncccc12 ZINC000000270764 383850840 /nfs/dbraw/zinc/85/08/40/383850840.db2.gz GLYFDIZBHQMLAU-UHFFFAOYSA-N 0 0 223.279 2.788 50 0 BFAARN CC(=O)S[C@@H](C)CC(=O)Nc1ccccc1 ZINC000000281162 383851695 /nfs/dbraw/zinc/85/16/95/383851695.db2.gz SBKPZDCRFAMXOV-VIFPVBQESA-N 0 0 237.324 2.683 50 0 BFAARN CC(C)(C)c1cc(C(N)=O)cc(C(C)(C)C)n1 ZINC000000337889 383856424 /nfs/dbraw/zinc/85/64/24/383856424.db2.gz YQSYGYRQJGOSBZ-UHFFFAOYSA-N 0 0 234.343 2.776 50 0 BFAARN COc1ccc(Br)c(C)c1OC ZINC000000345719 383856443 /nfs/dbraw/zinc/85/64/43/383856443.db2.gz JDIYVHQIOHSCQG-UHFFFAOYSA-N 0 0 231.089 2.775 50 0 BFAARN c1ccc2[nH]c(CN3CCCCC3)nc2c1 ZINC000000360585 383859245 /nfs/dbraw/zinc/85/92/45/383859245.db2.gz VBHJBDZRUQCCBW-UHFFFAOYSA-N 0 0 215.300 2.549 50 0 BFAARN C[C@]1(c2ccccc2)NC(=O)c2ccccc2O1 ZINC000000365313 383859816 /nfs/dbraw/zinc/85/98/16/383859816.db2.gz OAJLOMFJUSZIIM-HNNXBMFYSA-N 0 0 239.274 2.682 50 0 BFAARN CC(=O)Nc1cccc2cc(O)ccc21 ZINC000000393257 383860745 /nfs/dbraw/zinc/86/07/45/383860745.db2.gz BWGYGWYDRUDOSS-UHFFFAOYSA-N 0 0 201.225 2.504 50 0 BFAARN O=Cc1cn(-c2ccccc2)nc1-c1ccco1 ZINC000000383379 383861239 /nfs/dbraw/zinc/86/12/39/383861239.db2.gz OWMSNTKNRDZUFA-UHFFFAOYSA-N 0 0 238.246 2.945 50 0 BFAARN Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000000394899 383864722 /nfs/dbraw/zinc/86/47/22/383864722.db2.gz VLVCWODDMDGANW-UHFFFAOYSA-N 0 0 247.319 2.796 50 0 BFAARN Nc1cccnc1Oc1ccc2[nH]ccc2c1 ZINC000066442632 383865165 /nfs/dbraw/zinc/86/51/65/383865165.db2.gz FUHMCPKMMGLHQE-UHFFFAOYSA-N 0 0 225.251 2.937 50 0 BFAARN CCc1ccccc1NC(=O)c1cc(C)on1 ZINC000000426264 383866626 /nfs/dbraw/zinc/86/66/26/383866626.db2.gz LPVLHWWGQPHIGZ-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN CCC[C@H](C)C(=O)NCc1ccc(OC)cc1 ZINC000000450094 383869881 /nfs/dbraw/zinc/86/98/81/383869881.db2.gz HYFRYIZBLORNAY-NSHDSACASA-N 0 0 235.327 2.748 50 0 biogenic BFAARN COC(=O)c1ccc(NC(=O)C2CCCC2)cc1 ZINC000000476615 383871282 /nfs/dbraw/zinc/87/12/82/383871282.db2.gz QNVSMYADANMURK-UHFFFAOYSA-N 0 0 247.294 2.602 50 0 BFAARN Cc1ccc(C(=O)Nc2cccc(F)c2)o1 ZINC000000475066 383872310 /nfs/dbraw/zinc/87/23/10/383872310.db2.gz BYNGHQSUAAVZAH-UHFFFAOYSA-N 0 0 219.215 2.979 50 0 BFAARN Cc1ccc(C)c(C(=O)NCc2cccnc2)c1 ZINC000000514723 383874714 /nfs/dbraw/zinc/87/47/14/383874714.db2.gz JFRNQBIUTJCRGM-UHFFFAOYSA-N 0 0 240.306 2.628 50 0 BFAARN CCCCNC(=O)Nc1ccc(OC)c(F)c1 ZINC000048450906 383875905 /nfs/dbraw/zinc/87/59/05/383875905.db2.gz HGIJSCPZOHLUDW-UHFFFAOYSA-N 0 0 240.278 2.756 50 0 BFAARN CCc1ccc(NC(=O)CSC)cc1 ZINC000000615679 383877777 /nfs/dbraw/zinc/87/77/77/383877777.db2.gz LCLPCPJWDZDHJI-UHFFFAOYSA-N 0 0 209.314 2.551 50 0 BFAARN Cc1ccc(SC(=O)N2CCOCC2)cc1 ZINC000000127546 383831287 /nfs/dbraw/zinc/83/12/87/383831287.db2.gz ZXCFBGSUHBTPKS-UHFFFAOYSA-N 0 0 237.324 2.539 50 0 BFAARN CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000000142501 383832807 /nfs/dbraw/zinc/83/28/07/383832807.db2.gz HJZGXXPOKWGQHH-UHFFFAOYSA-N 0 0 218.281 2.769 50 0 BFAARN CSCC(=O)Nc1cc(C)ccc1C ZINC000000149894 383833983 /nfs/dbraw/zinc/83/39/83/383833983.db2.gz GEUIVPDVDLVBGL-UHFFFAOYSA-N 0 0 209.314 2.605 50 0 BFAARN CCCCNC(=O)c1ccccc1Cl ZINC000001598585 383910510 /nfs/dbraw/zinc/91/05/10/383910510.db2.gz PERRBGDAOVSLIV-UHFFFAOYSA-N 0 0 211.692 2.870 50 0 BFAARN Cc1cc(C)c(Br)cc1N ZINC000001610391 383913187 /nfs/dbraw/zinc/91/31/87/383913187.db2.gz LRPYBWZQRJDXDB-UHFFFAOYSA-N 0 0 200.079 2.648 50 0 BFAARN OCc1ccccc1CCc1ccccc1 ZINC000001632655 383914796 /nfs/dbraw/zinc/91/47/96/383914796.db2.gz CPZRYQJPVUJHOS-UHFFFAOYSA-N 0 0 212.292 2.964 50 0 BFAARN COc1nccnc1-c1c[nH]c2ccc(C)cc21 ZINC000067688937 383935290 /nfs/dbraw/zinc/93/52/90/383935290.db2.gz JXFMTPBNPCCTMC-UHFFFAOYSA-N 0 0 239.278 2.942 50 0 BFAARN Cc1ccc(F)cc1-c1ccccc1C(N)=O ZINC000067473228 383926178 /nfs/dbraw/zinc/92/61/78/383926178.db2.gz ZOEZMFCQLZBVDX-UHFFFAOYSA-N 0 0 229.254 2.900 50 0 BFAARN CCCc1nc(C)sc1C(=O)OCC ZINC000067597260 383929270 /nfs/dbraw/zinc/92/92/70/383929270.db2.gz WYMVFCXUMRELQA-UHFFFAOYSA-N 0 0 213.302 2.581 50 0 BFAARN Cc1c2nc(-c3ccc(N)cc3)[nH]c2ccc1N ZINC000000911797 383883817 /nfs/dbraw/zinc/88/38/17/383883817.db2.gz BEXBJUKRZILANI-UHFFFAOYSA-N 0 0 238.294 2.703 50 0 BFAARN CN[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000036294079 383894678 /nfs/dbraw/zinc/89/46/78/383894678.db2.gz YQEZLKZALYSWHR-CYBMUJFWSA-N 0 0 237.730 2.898 50 0 fda BFAARN Cc1noc(C)c1COc1ccccc1 ZINC000001383224 383896228 /nfs/dbraw/zinc/89/62/28/383896228.db2.gz USUHCZGGIBTHLA-UHFFFAOYSA-N 0 0 203.241 2.870 50 0 BFAARN CC(=O)c1sc(-c2ccccn2)nc1C ZINC000001402754 383896973 /nfs/dbraw/zinc/89/69/73/383896973.db2.gz CCNGLMLECVWYHW-UHFFFAOYSA-N 0 0 218.281 2.716 50 0 BFAARN CC(C)CCS(=O)(=O)Cc1ccccc1 ZINC000097325323 383905174 /nfs/dbraw/zinc/90/51/74/383905174.db2.gz GRZVOKXACFECLM-UHFFFAOYSA-N 0 0 226.341 2.648 50 0 BFAARN C=Cc1ccccc1I ZINC000002571970 383977840 /nfs/dbraw/zinc/97/78/40/383977840.db2.gz PSIKFNDJOGHVHP-UHFFFAOYSA-N 0 0 230.048 2.934 50 0 BFAARN CCc1ccccc1C(=O)C(F)(F)F ZINC000002579827 383979220 /nfs/dbraw/zinc/97/92/20/383979220.db2.gz SQJPNNHULDCRPO-UHFFFAOYSA-N 0 0 202.175 2.994 50 0 BFAARN C/C=C/C(=O)OC(C(F)(F)F)C(F)(F)F ZINC000002576924 383979266 /nfs/dbraw/zinc/97/92/66/383979266.db2.gz DCARLDZSCMKDNZ-NSCUHMNNSA-N 0 0 236.111 2.599 50 0 BFAARN CCCCNC(=O)Nc1cccc(C(C)=O)c1 ZINC000002585721 383980987 /nfs/dbraw/zinc/98/09/87/383980987.db2.gz WDKIFLWAYFIUQU-UHFFFAOYSA-N 0 0 234.299 2.811 50 0 BFAARN O=C1c2ccc(F)cc2CCc2ncccc21 ZINC000002599195 383982155 /nfs/dbraw/zinc/98/21/55/383982155.db2.gz PVYLZBOCBZTZDG-UHFFFAOYSA-N 0 0 227.238 2.550 50 0 BFAARN FC(F)(F)[C@@H]1C[C@@H](C2CC2)Nc2ccnn21 ZINC000002766447 383986322 /nfs/dbraw/zinc/98/63/22/383986322.db2.gz LDDDMXZXZTZPGS-YUMQZZPRSA-N 0 0 231.221 2.581 50 0 BFAARN S=C1NC2(CCCC2)NN1c1ccccc1 ZINC000002893208 383992688 /nfs/dbraw/zinc/99/26/88/383992688.db2.gz YOVKZKLGVGKTHH-UHFFFAOYSA-N 0 0 233.340 2.567 50 0 BFAARN CCOc1ccc(-c2c[nH]cn2)cc1OCC ZINC000067714440 383939289 /nfs/dbraw/zinc/93/92/89/383939289.db2.gz YBNASGZAQMOTRU-UHFFFAOYSA-N 0 0 232.283 2.874 50 0 BFAARN Cc1ccc(F)c(-c2nc(C)ccc2C(N)=O)c1 ZINC000067773455 383944027 /nfs/dbraw/zinc/94/40/27/383944027.db2.gz ISUCKMZSVMBOLO-UHFFFAOYSA-N 0 0 244.269 2.603 50 0 BFAARN CC[C@H](c1ccccn1)N(C)Cc1coc(C)n1 ZINC000067774815 383945645 /nfs/dbraw/zinc/94/56/45/383945645.db2.gz NCWDSCIQYDXUOF-CQSZACIVSA-N 0 0 245.326 2.961 50 0 BFAARN CCCC[C@@H](CC)C(=O)NCc1cccnc1 ZINC000002057666 383948902 /nfs/dbraw/zinc/94/89/02/383948902.db2.gz PEWOGBZGIWGIBQ-CYBMUJFWSA-N 0 0 234.343 2.914 50 0 BFAARN Cc1[nH]nc2cc(Cl)nc(Cl)c12 ZINC000089220081 383949759 /nfs/dbraw/zinc/94/97/59/383949759.db2.gz OEDSJFVMMHLPBB-UHFFFAOYSA-N 0 0 202.044 2.573 50 0 BFAARN CCOc1ncccc1-c1ccccc1CO ZINC000067804853 383949942 /nfs/dbraw/zinc/94/99/42/383949942.db2.gz YZPSYLGMKLSJKN-UHFFFAOYSA-N 0 0 229.279 2.640 50 0 BFAARN CC(C)(C)c1nccn1-c1ccc2c(c1)OCO2 ZINC000067804001 383950370 /nfs/dbraw/zinc/95/03/70/383950370.db2.gz AYYJQPHLGQMHCC-UHFFFAOYSA-N 0 0 244.294 2.899 50 0 BFAARN CCOCCOC(=O)Nc1cc(C)ccc1C ZINC000002172102 383954227 /nfs/dbraw/zinc/95/42/27/383954227.db2.gz AVNZSOIVKOOSRE-UHFFFAOYSA-N 0 0 237.299 2.888 50 0 BFAARN CCN(CCOc1ccccc1)C(=O)C=C(C)C ZINC000002160154 383954537 /nfs/dbraw/zinc/95/45/37/383954537.db2.gz DKUBKXQHGSVWRT-UHFFFAOYSA-N 0 0 247.338 2.880 50 0 BFAARN CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000002156459 383954817 /nfs/dbraw/zinc/95/48/17/383954817.db2.gz BNRKNBBWYHACKK-UHFFFAOYSA-N 0 0 217.240 2.960 50 0 BFAARN O=Cc1sc(N2CCCCC2)nc1Cl ZINC000002507507 383966264 /nfs/dbraw/zinc/96/62/64/383966264.db2.gz PIHYBGQGFSRXQU-UHFFFAOYSA-N 0 0 230.720 2.599 50 0 BFAARN CC1(C)Cc2nc3ccccc3c(N)c2C(=O)C1 ZINC000002468749 383966626 /nfs/dbraw/zinc/96/66/26/383966626.db2.gz RFXDMILSJZCTDQ-UHFFFAOYSA-N 0 0 240.306 2.972 50 0 biogenic BFAARN CCCCN1C[C@@H](COc2ccccc2)OC1=O ZINC000002476476 383967156 /nfs/dbraw/zinc/96/71/56/383967156.db2.gz CUUAATUGSCNRFP-ZDUSSCGKSA-N 0 0 249.310 2.686 50 0 BFAARN Cc1cccc(CC(=O)C(F)(F)F)c1 ZINC000002518006 383968957 /nfs/dbraw/zinc/96/89/57/383968957.db2.gz CXGINHIVNBDAKL-UHFFFAOYSA-N 0 0 202.175 2.669 50 0 BFAARN O=C1c2ccccc2N2Cc3ccccc3N=C12 ZINC000002519665 383969642 /nfs/dbraw/zinc/96/96/42/383969642.db2.gz VTMDQEHTVKDBHC-UHFFFAOYSA-N 0 0 234.258 2.933 50 0 BFAARN CCCCc1noc(C)c1C(=O)OCC ZINC000113143128 383969876 /nfs/dbraw/zinc/96/98/76/383969876.db2.gz UPGNSGNBQCREJB-UHFFFAOYSA-N 0 0 211.261 2.502 50 0 BFAARN c1cc2c(ncnc2NCc2ccccc2)[nH]1 ZINC000002525844 383971951 /nfs/dbraw/zinc/97/19/51/383971951.db2.gz XQTDTJWTCBSTMC-UHFFFAOYSA-N 0 0 224.267 2.570 50 0 in-vitro BFAARN CCc1ccc(OC(=O)c2cccnc2)cc1 ZINC000000241599 383973798 /nfs/dbraw/zinc/97/37/98/383973798.db2.gz FTBINGSVUOZAFH-UHFFFAOYSA-N 0 0 227.263 2.863 50 0 BFAARN OCc1ccccc1SC(F)(F)F ZINC000002560229 383976015 /nfs/dbraw/zinc/97/60/15/383976015.db2.gz IZKPDCFEJFNLJD-UHFFFAOYSA-N 0 0 208.204 2.791 50 0 BFAARN CC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000089954608 384016763 /nfs/dbraw/zinc/01/67/63/384016763.db2.gz QQADAEOQIPDETH-ZDUSSCGKSA-N 0 0 203.285 2.664 50 0 BFAARN CC[C@H](C)c1ccc(NC(N)=S)cc1 ZINC000003322187 384006433 /nfs/dbraw/zinc/00/64/33/384006433.db2.gz WTXSUXUHTUONPP-QMMMGPOBSA-N 0 0 208.330 2.856 50 0 BFAARN CCc1cccnc1NCc1ccccn1 ZINC000095434272 384008280 /nfs/dbraw/zinc/00/82/80/384008280.db2.gz BKOMBMVOYREANA-UHFFFAOYSA-N 0 0 213.284 2.651 50 0 BFAARN Cc1cc(C(=O)c2cccnc2)ccc1F ZINC000037761587 384010108 /nfs/dbraw/zinc/01/01/08/384010108.db2.gz WNIOHNLBJIIKDP-UHFFFAOYSA-N 0 0 215.227 2.760 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000003433565 384012919 /nfs/dbraw/zinc/01/29/19/384012919.db2.gz LDOICKODKWUUEX-GMSGAONNSA-N 0 0 209.676 2.935 50 0 BFAARN c1ccc(N[C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000071899573 384043804 /nfs/dbraw/zinc/04/38/04/384043804.db2.gz CBRUBVMDRAGESN-CQSZACIVSA-N 0 0 239.322 2.772 50 0 BFAARN Cc1cc(Br)cc(O)c1F ZINC000090413833 384048656 /nfs/dbraw/zinc/04/86/56/384048656.db2.gz XRNNSKQHDNJRDJ-UHFFFAOYSA-N 0 0 205.026 2.602 50 0 BFAARN COC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000004261950 384051862 /nfs/dbraw/zinc/05/18/62/384051862.db2.gz QJOOIMSFFIUFKX-CAHLUQPWSA-N 0 0 223.099 2.751 50 0 BFAARN Cc1cccc(CSc2ncc(CO)n2C)c1 ZINC000004003041 384034899 /nfs/dbraw/zinc/03/48/99/384034899.db2.gz ZVKPVLPMNKSKGZ-UHFFFAOYSA-N 0 0 248.351 2.513 50 0 BFAARN Clc1nccnc1C1SCCCS1 ZINC000090495602 384054947 /nfs/dbraw/zinc/05/49/47/384054947.db2.gz OBZGHDUHUNPBBW-UHFFFAOYSA-N 0 0 232.761 2.999 50 0 BFAARN CC[C@H](C)n1cc(Br)cn1 ZINC000038074777 384063614 /nfs/dbraw/zinc/06/36/14/384063614.db2.gz QBGURVIJWFJGNZ-LURJTMIESA-N 0 0 203.083 2.617 50 0 BFAARN Cc1ccc([C@@H](NC=O)c2ccccc2)cc1 ZINC000004779420 384079290 /nfs/dbraw/zinc/07/92/90/384079290.db2.gz WFSHCSTTWSATIF-HNNXBMFYSA-N 0 0 225.291 2.830 50 0 BFAARN COC(=O)c1ccc(-c2ccc(C=O)o2)c(C)c1 ZINC000004739699 384079553 /nfs/dbraw/zinc/07/95/53/384079553.db2.gz JDNVUVBLEFEZII-UHFFFAOYSA-N 0 0 244.246 2.854 50 0 BFAARN COc1c(Cl)ccc(C(C)=O)c1F ZINC000091252009 384109337 /nfs/dbraw/zinc/10/93/37/384109337.db2.gz SSQUECJMKSQDHG-UHFFFAOYSA-N 0 0 202.612 2.690 50 0 BFAARN CC(=O)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000005383513 384110953 /nfs/dbraw/zinc/11/09/53/384110953.db2.gz CRJNODJQTIHMRS-UHFFFAOYSA-N 0 0 219.284 2.874 50 0 BFAARN O=C(Nc1nccs1)OCc1ccccc1 ZINC000005773708 384129082 /nfs/dbraw/zinc/12/90/82/384129082.db2.gz QKWLYHRESAIPGB-UHFFFAOYSA-N 0 0 234.280 2.892 50 0 BFAARN CSCc1ncnn1-c1ccccc1Cl ZINC000091859723 384151323 /nfs/dbraw/zinc/15/13/23/384151323.db2.gz MBIZMMPXJGIGPJ-UHFFFAOYSA-N 0 0 239.731 2.784 50 0 BFAARN COC(=O)c1cccc(-c2ccccn2)c1 ZINC000006544735 384158055 /nfs/dbraw/zinc/15/80/55/384158055.db2.gz WSFNTSUFRZCBNQ-UHFFFAOYSA-N 0 0 213.236 2.535 50 0 BFAARN CC(C)Cn1c(=S)[nH]nc1-c1ccco1 ZINC000006493093 384154719 /nfs/dbraw/zinc/15/47/19/384154719.db2.gz CZOLJPVMCCCRAX-UHFFFAOYSA-N 0 0 223.301 2.857 50 0 BFAARN Cc1oncc1C(=O)Nc1cccc(F)c1C ZINC000000385198 259645890 /nfs/dbraw/zinc/64/58/90/259645890.db2.gz BOLBPKUPCUGYIX-UHFFFAOYSA-N 0 0 234.230 2.683 50 0 BFAARN Cc1ccc(C(=O)NCc2ccccc2F)o1 ZINC000007007569 384173005 /nfs/dbraw/zinc/17/30/05/384173005.db2.gz NFFRDINLLVJEDL-UHFFFAOYSA-N 0 0 233.242 2.657 50 0 BFAARN Cc1cc(C)c(C(=O)NC2CC2)c(C)c1 ZINC000006698732 384162926 /nfs/dbraw/zinc/16/29/26/384162926.db2.gz RTDHRPOJKLNXGW-UHFFFAOYSA-N 0 0 203.285 2.504 50 0 BFAARN CCCCNC(=O)N1c2ccccc2C[C@@H]1C ZINC000006731766 384164260 /nfs/dbraw/zinc/16/42/60/384164260.db2.gz DSTZGTMWHFCETE-NSHDSACASA-N 0 0 232.327 2.947 50 0 BFAARN CCC[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000006779243 384167146 /nfs/dbraw/zinc/16/71/46/384167146.db2.gz NBBVWDFNCSBFNW-VIFPVBQESA-N 0 0 235.283 2.790 50 0 BFAARN CN(Cc1ccc(Cl)s1)C(=O)C1CC1 ZINC000040460956 384170651 /nfs/dbraw/zinc/17/06/51/384170651.db2.gz JKCQWRLVUQXNAJ-UHFFFAOYSA-N 0 0 229.732 2.770 50 0 BFAARN COc1c(C)cc(NC(C)=O)c(C)c1C ZINC000071774279 384177204 /nfs/dbraw/zinc/17/72/04/384177204.db2.gz QJUYXISYJASRME-UHFFFAOYSA-N 0 0 207.273 2.579 50 0 BFAARN CN(C)CSc1ccc(Cl)cc1 ZINC000071773114 384178699 /nfs/dbraw/zinc/17/86/99/384178699.db2.gz GVTUWJGZDYATNU-UHFFFAOYSA-N 0 0 201.722 2.951 50 0 BFAARN COC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000071791024 384179336 /nfs/dbraw/zinc/17/93/36/384179336.db2.gz UOUBEKSUNCCLDY-UHFFFAOYSA-N 0 0 221.643 2.675 50 0 BFAARN CO[C@@H]1CCCC[C@H]1OC(=O)C1CCCC1 ZINC000097404918 384204286 /nfs/dbraw/zinc/20/42/86/384204286.db2.gz RMNIRHDUCYXNFX-VXGBXAGGSA-N 0 0 226.316 2.677 50 0 BFAARN COc1c(Cl)c(F)nc(F)c1Cl ZINC000072284044 384204706 /nfs/dbraw/zinc/20/47/06/384204706.db2.gz RQWCDYPJPZHFAZ-UHFFFAOYSA-N 0 0 213.998 2.675 50 0 BFAARN Cc1cc(-c2csc(N)n2)c(F)cc1F ZINC000072312132 384206519 /nfs/dbraw/zinc/20/65/19/384206519.db2.gz GVFNSJRXKXITSL-UHFFFAOYSA-N 0 0 226.251 2.979 50 0 BFAARN CCCCNC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000002772250 384187287 /nfs/dbraw/zinc/18/72/87/384187287.db2.gz MHRXYYPTQNFXTH-QWRGUYRKSA-N 0 0 212.337 2.759 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)C2CC2)c(C)c1 ZINC000002765885 384187868 /nfs/dbraw/zinc/18/78/68/384187868.db2.gz UFCODLRYDPFTLH-LLVKDONJSA-N 0 0 217.312 2.891 50 0 BFAARN CC(=O)NCCc1ccc2ccccc2c1 ZINC000041340446 384188315 /nfs/dbraw/zinc/18/83/15/384188315.db2.gz NIUFMHLNOJUCCH-UHFFFAOYSA-N 0 0 213.280 2.518 50 0 BFAARN Cc1nnc(CSc2ncccc2Cl)o1 ZINC000043895716 384188443 /nfs/dbraw/zinc/18/84/43/384188443.db2.gz ZKUHJOUEKZPACU-UHFFFAOYSA-N 0 0 241.703 2.719 50 0 BFAARN O=C(c1cc2cccnc2[nH]1)c1ccccc1 ZINC000072194172 384197726 /nfs/dbraw/zinc/19/77/26/384197726.db2.gz DWCJZCLNLRIZGI-UHFFFAOYSA-N 0 0 222.247 2.794 50 0 BFAARN FC(F)(F)c1nc(Br)cs1 ZINC000072193261 384198835 /nfs/dbraw/zinc/19/88/35/384198835.db2.gz JWIFAKPFCFVBQD-UHFFFAOYSA-N 0 0 232.024 2.924 50 0 BFAARN Cc1cc(NC(=O)c2cc(C)cc(C)c2)no1 ZINC000009218697 384237625 /nfs/dbraw/zinc/23/76/25/384237625.db2.gz BSFJEMJQFXTOLQ-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN O=Cc1c[nH]c2c1cccc2Br ZINC000008700556 384209714 /nfs/dbraw/zinc/20/97/14/384209714.db2.gz MGPMWCBAOQWENZ-UHFFFAOYSA-N 0 0 224.057 2.743 50 0 BFAARN O=Cc1ccc(OCCOc2ccccc2)cc1 ZINC000008727109 384212650 /nfs/dbraw/zinc/21/26/50/384212650.db2.gz PFZXOUAOLHEJAQ-UHFFFAOYSA-N 0 0 242.274 2.957 50 0 BFAARN CC(C)(C)OC(=O)N1C(=O)C[C@H]1C(C)(C)C ZINC000072481897 384224500 /nfs/dbraw/zinc/22/45/00/384224500.db2.gz HKIDIVDBXIMOMQ-QMMMGPOBSA-N 0 0 227.304 2.569 50 0 BFAARN O=C1NCCc2cc(-c3ccccc3)ccc21 ZINC000082539492 384250145 /nfs/dbraw/zinc/25/01/45/384250145.db2.gz JIFHLFJWIUUCJC-UHFFFAOYSA-N 0 0 223.275 2.640 50 0 BFAARN COCCCc1nc(-c2ccccn2)cs1 ZINC000408514401 384258016 /nfs/dbraw/zinc/25/80/16/384258016.db2.gz NNZQJLCWCQNCRQ-UHFFFAOYSA-N 0 0 234.324 2.784 50 0 BFAARN C[C@@H]1Cc2cc(-c3ccno3)ccc2O1 ZINC000036367084 384261780 /nfs/dbraw/zinc/26/17/80/384261780.db2.gz KYNVBKQBBUJVNS-MRVPVSSYSA-N 0 0 201.225 2.665 50 0 BFAARN CC/C=C/CCS(=O)(=O)c1ccccc1 ZINC000189168432 384265715 /nfs/dbraw/zinc/26/57/15/384265715.db2.gz MJMRGMFPPFNGNP-ONEGZZNKSA-N 0 0 224.325 2.817 50 0 BFAARN O=C(NC1(c2ccc(Cl)cc2)CC1)C(F)F ZINC000408514907 384271694 /nfs/dbraw/zinc/27/16/94/384271694.db2.gz QNKLEOIHZFMMOR-UHFFFAOYSA-N 0 0 245.656 2.710 50 0 BFAARN Cc1ccc(C(=O)NCc2ccco2)cc1 ZINC000000037530 384273299 /nfs/dbraw/zinc/27/32/99/384273299.db2.gz BJNKXNBPVDNGMF-UHFFFAOYSA-N 0 0 215.252 2.518 50 0 BFAARN CCCCNC(=O)COc1ccc(C)cc1C ZINC000010471936 384274283 /nfs/dbraw/zinc/27/42/83/384274283.db2.gz HBTQAULIMJUEHS-UHFFFAOYSA-N 0 0 235.327 2.599 50 0 BFAARN CC(C)n1ccc(C(=O)N[C@H]2C[C@]2(C)C(C)C)n1 ZINC000408520033 384274652 /nfs/dbraw/zinc/27/46/52/384274652.db2.gz PGHXUNMZTUIGFX-GXTWGEPZSA-N 0 0 249.358 2.628 50 0 BFAARN Cc1c(O)ccc(Br)c1C ZINC000011949634 384304964 /nfs/dbraw/zinc/30/49/64/384304964.db2.gz MOKFDXJOXUHQNO-UHFFFAOYSA-N 0 0 201.063 2.772 50 0 BFAARN CC(=O)N1C[C@H](C)Sc2ccccc21 ZINC000074878743 384308792 /nfs/dbraw/zinc/30/87/92/384308792.db2.gz YGOYDEBWIQZSHX-QMMMGPOBSA-N 0 0 207.298 2.534 50 0 BFAARN CCN(CC)c1ccc(NC(C)=O)c(C)c1 ZINC000000364219 384316486 /nfs/dbraw/zinc/31/64/86/384316486.db2.gz ORCJVXMOXNZNAY-UHFFFAOYSA-N 0 0 220.316 2.800 50 0 BFAARN Cc1nsc(NCc2ccccc2C)n1 ZINC000083648092 384316987 /nfs/dbraw/zinc/31/69/87/384316987.db2.gz KMOZXZTVBBXRLS-UHFFFAOYSA-N 0 0 219.313 2.767 50 0 BFAARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000012374518 384317444 /nfs/dbraw/zinc/31/74/44/384317444.db2.gz KEYGOTKLCRWNDY-VXGBXAGGSA-N 0 0 247.269 2.505 50 0 BFAARN Cc1ccc2c(c1)[C@@H](Nc1ccnc(C)n1)CO2 ZINC000097016220 384285392 /nfs/dbraw/zinc/28/53/92/384285392.db2.gz RODUULJNTBPAOU-LBPRGKRZSA-N 0 0 241.294 2.639 50 0 BFAARN Fc1cc(CNCC(F)F)ccc1Cl ZINC000147328209 384286852 /nfs/dbraw/zinc/28/68/52/384286852.db2.gz HUDJSBPIMLLQOL-UHFFFAOYSA-N 0 0 223.625 2.834 50 0 BFAARN CC(C)(C)c1nnc(Br)s1 ZINC000011920183 384300973 /nfs/dbraw/zinc/30/09/73/384300973.db2.gz NTCALTKEJCVOMO-UHFFFAOYSA-N 0 0 221.123 2.598 50 0 BFAARN Cc1[nH]ccc1C(=O)N1CCCc2ccccc21 ZINC000074716854 384302524 /nfs/dbraw/zinc/30/25/24/384302524.db2.gz MWUYDGCZMHEYML-UHFFFAOYSA-N 0 0 240.306 2.916 50 0 BFAARN CCc1ccccc1NC(=O)C1CCC1 ZINC000012976312 384344347 /nfs/dbraw/zinc/34/43/47/384344347.db2.gz BBJLCYSHTGMCKX-UHFFFAOYSA-N 0 0 203.285 2.988 50 0 BFAARN Fc1cc(Br)cc2c1OCCC2 ZINC000075882917 384345590 /nfs/dbraw/zinc/34/55/90/384345590.db2.gz HAJPUFTTZFGJMC-UHFFFAOYSA-N 0 0 231.064 2.913 50 0 BFAARN COC(=O)c1ccc2c(c1)ncn2C(C)(C)C ZINC000075935181 384347153 /nfs/dbraw/zinc/34/71/53/384347153.db2.gz XYAHVMLVBBICJJ-UHFFFAOYSA-N 0 0 232.283 2.578 50 0 BFAARN Cc1ccnc(NC(=O)Cc2ccccc2)c1 ZINC000013234493 384354034 /nfs/dbraw/zinc/35/40/34/384354034.db2.gz JQQIVCUBOYFIPT-UHFFFAOYSA-N 0 0 226.279 2.571 50 0 BFAARN O=C(CC(F)(F)F)N(Cc1ccco1)C1CC1 ZINC000044698684 384355222 /nfs/dbraw/zinc/35/52/22/384355222.db2.gz PNNOULUYBVUNFP-UHFFFAOYSA-N 0 0 247.216 2.723 50 0 BFAARN Cc1ccc(C(F)(F)F)cc1NC(N)=S ZINC000013571663 384365345 /nfs/dbraw/zinc/36/53/45/384365345.db2.gz WQXASGSEQGSJNH-UHFFFAOYSA-N 0 0 234.246 2.669 50 0 BFAARN Cc1ccncc1C(=O)c1cccc(F)c1F ZINC000045029024 384368818 /nfs/dbraw/zinc/36/88/18/384368818.db2.gz HTNTXOLWFUWHPW-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1ccncc1C(=O)c1ccc(F)cc1F ZINC000045029025 384369416 /nfs/dbraw/zinc/36/94/16/384369416.db2.gz VEXZQIOVEJKKEV-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN COC(=O)c1ccc(Cl)c(SC)c1 ZINC000095217934 384369820 /nfs/dbraw/zinc/36/98/20/384369820.db2.gz HRZUXPSAFUPMSG-UHFFFAOYSA-N 0 0 216.689 2.849 50 0 BFAARN Cc1ccncc1C(=O)c1cc(F)cc(F)c1 ZINC000045029029 384369980 /nfs/dbraw/zinc/36/99/80/384369980.db2.gz KYEFRHOYPYOVNS-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1ccncc1C(=O)c1ccc(F)c(F)c1 ZINC000045029028 384370048 /nfs/dbraw/zinc/37/00/48/384370048.db2.gz PCTIVAXALICAIG-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN Cc1ccc(C(=O)c2c(F)cccc2F)nc1 ZINC000045028567 384370339 /nfs/dbraw/zinc/37/03/39/384370339.db2.gz KTHOYLYXEUGCSI-UHFFFAOYSA-N 0 0 233.217 2.899 50 0 BFAARN O=c1c2ccccc2sn1Cc1cncs1 ZINC000095369878 384371435 /nfs/dbraw/zinc/37/14/35/384371435.db2.gz XIBSSOXWQWPDOH-UHFFFAOYSA-N 0 0 248.332 2.568 50 0 BFAARN CC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000095351000 384371441 /nfs/dbraw/zinc/37/14/41/384371441.db2.gz ZLIJQHKPEOVNPO-ZDUSSCGKSA-N 0 0 221.275 2.803 50 0 BFAARN Cc1ccc(C(=O)NCC(C)C)c(C)c1 ZINC000000514667 384323509 /nfs/dbraw/zinc/32/35/09/384323509.db2.gz NEDWVUIEMLZZFR-UHFFFAOYSA-N 0 0 205.301 2.689 50 0 BFAARN CC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000044316747 384324801 /nfs/dbraw/zinc/32/48/01/384324801.db2.gz GHEDNSLOXLEUKX-SSDOTTSWSA-N 0 0 242.116 2.646 50 0 BFAARN CC(C)C[C@H](C)NC(=O)c1ccccc1 ZINC000000405215 384325874 /nfs/dbraw/zinc/32/58/74/384325874.db2.gz VFMMJMOYGNCONK-NSHDSACASA-N 0 0 205.301 2.851 50 0 BFAARN CCCCCCc1c(C)[nH]c(=S)[nH]c1=O ZINC000012653019 384331406 /nfs/dbraw/zinc/33/14/06/384331406.db2.gz JZIKKXZRDBZPEE-UHFFFAOYSA-N 0 0 226.345 2.864 50 0 BFAARN COC(=O)c1cccc(Oc2ccccc2N)c1 ZINC000014629156 384395429 /nfs/dbraw/zinc/39/54/29/384395429.db2.gz XWYDTLZBLRQGFE-UHFFFAOYSA-N 0 0 243.262 2.848 50 0 BFAARN Cc1c(Cl)ccnc1Br ZINC000095761933 384395615 /nfs/dbraw/zinc/39/56/15/384395615.db2.gz UAHHMJZKBNKCIN-UHFFFAOYSA-N 0 0 206.470 2.806 50 0 BFAARN CCONC(=O)c1cc(SC)ccc1Cl ZINC000032848249 384401831 /nfs/dbraw/zinc/40/18/31/384401831.db2.gz GSBBZZSYPSQOCS-UHFFFAOYSA-N 0 0 245.731 2.743 50 0 BFAARN Cn1cncc1CSc1nc2ccccc2o1 ZINC000072312925 384411655 /nfs/dbraw/zinc/41/16/55/384411655.db2.gz RONJOTHTUHKRIQ-UHFFFAOYSA-N 0 0 245.307 2.854 50 0 BFAARN CCOc1ccc(C=O)c(Br)c1 ZINC000078019569 384426809 /nfs/dbraw/zinc/42/68/09/384426809.db2.gz MSPJFUIGOFAMMI-UHFFFAOYSA-N 0 0 229.073 2.660 50 0 BFAARN Cn1cc(CN2CCCCc3ccccc32)cn1 ZINC000178720167 384419058 /nfs/dbraw/zinc/41/90/58/384419058.db2.gz QFXAOWWPVKMSLP-UHFFFAOYSA-N 0 0 241.338 2.763 50 0 BFAARN CCN(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000071869180 384420432 /nfs/dbraw/zinc/42/04/32/384420432.db2.gz UEEVOEWOWADDHR-UHFFFAOYSA-N 0 0 221.344 2.681 50 0 BFAARN C[C@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000096026207 384421142 /nfs/dbraw/zinc/42/11/42/384421142.db2.gz YGUDYTLAAIGCNV-LBPRGKRZSA-N 0 0 240.306 2.502 50 0 BFAARN S=c1[nH]c2cc(Cl)ccc2c2ccnn21 ZINC000015107601 384421585 /nfs/dbraw/zinc/42/15/85/384421585.db2.gz UPOFSFKRDJRHTQ-UHFFFAOYSA-N 0 0 235.699 2.825 50 0 BFAARN c1sc(CC2CC2)nc1C1CCOCC1 ZINC000096009358 384422205 /nfs/dbraw/zinc/42/22/05/384422205.db2.gz KCOMAQPABTYZSI-UHFFFAOYSA-N 0 0 223.341 2.990 50 0 BFAARN C[C@]1(c2ccccc2)CCC[N@H+](CCC(=O)[O-])C1 ZINC000095526558 384380993 /nfs/dbraw/zinc/38/09/93/384380993.db2.gz KZCLUUSSKWSIQT-HNNXBMFYSA-N 0 0 247.338 2.515 50 0 BFAARN O=C(OCCCC(F)(F)F)c1ccoc1 ZINC000157383156 384386475 /nfs/dbraw/zinc/38/64/75/384386475.db2.gz JKYALKBCAIXBCY-UHFFFAOYSA-N 0 0 222.162 2.779 50 0 BFAARN COC(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000047202442 384444723 /nfs/dbraw/zinc/44/47/23/384444723.db2.gz LXUTXZRWQVCTTR-UHFFFAOYSA-N 0 0 218.174 2.800 50 0 BFAARN COCc1[nH]nc(C)c1-c1cccc(N(C)C)c1 ZINC000096150151 384436801 /nfs/dbraw/zinc/43/68/01/384436801.db2.gz CXXQZSFIZCSGBX-UHFFFAOYSA-N 0 0 245.326 2.598 50 0 BFAARN CC(C)(C)CCc1nc([C@@H]2CCOC2)no1 ZINC000096141402 384438036 /nfs/dbraw/zinc/43/80/36/384438036.db2.gz JSZYHQHFSOZTLE-SECBINFHSA-N 0 0 224.304 2.552 50 0 BFAARN CC(=O)Oc1cc(Cl)c(C=O)c(Cl)c1 ZINC000096179469 384440188 /nfs/dbraw/zinc/44/01/88/384440188.db2.gz OWYIYIOLZRIQJL-UHFFFAOYSA-N 0 0 233.050 2.731 50 0 BFAARN O=CNC(c1ccccc1)c1ccccc1 ZINC000015771822 384440589 /nfs/dbraw/zinc/44/05/89/384440589.db2.gz KIHAIHODXPSBCW-UHFFFAOYSA-N 0 0 211.264 2.522 50 0 BFAARN COC(=O)c1ccc(Oc2nccs2)cc1 ZINC000016678729 384464638 /nfs/dbraw/zinc/46/46/38/384464638.db2.gz GTAGKPHKKIJCSI-UHFFFAOYSA-N 0 0 235.264 2.722 50 0 BFAARN COC(=O)c1ccc(-c2ccc(CO)cc2)cc1 ZINC000016947581 384475406 /nfs/dbraw/zinc/47/54/06/384475406.db2.gz VKZMIOMZIBDFLC-UHFFFAOYSA-N 0 0 242.274 2.633 50 0 BFAARN Cc1ccc2[nH]c(=O)nc(-c3ccccc3)c2c1 ZINC000018178344 384499609 /nfs/dbraw/zinc/49/96/09/384499609.db2.gz ULRSRGDZNASHQP-UHFFFAOYSA-N 0 0 236.274 2.899 50 0 BFAARN CSCCNC(=O)Nc1ccc(Cl)cc1 ZINC000002158803 384513975 /nfs/dbraw/zinc/51/39/75/384513975.db2.gz HSDJOZPVIFNVKL-UHFFFAOYSA-N 0 0 244.747 2.825 50 0 BFAARN CCCCNC(=O)Nc1cccc(C)c1 ZINC000002171724 384516897 /nfs/dbraw/zinc/51/68/97/384516897.db2.gz FRQCXFQYBFXDIH-UHFFFAOYSA-N 0 0 206.289 2.917 50 0 BFAARN CN(Cc1ccccc1)C(=O)c1ccc(N)cc1 ZINC000019274603 384517035 /nfs/dbraw/zinc/51/70/35/384517035.db2.gz ZYULNQTYVKBFDV-UHFFFAOYSA-N 0 0 240.306 2.541 50 0 BFAARN CC(C)CCNC(=O)c1ccc(N)cc1Cl ZINC000019390791 384519646 /nfs/dbraw/zinc/51/96/46/384519646.db2.gz DZLMKYFHFSXJLT-UHFFFAOYSA-N 0 0 240.734 2.698 50 0 BFAARN COc1cc(C)cc(-c2ccc(C)nn2)c1OC ZINC000097505305 384526815 /nfs/dbraw/zinc/52/68/15/384526815.db2.gz RIZBEZSFRYGKST-UHFFFAOYSA-N 0 0 244.294 2.778 50 0 BFAARN O=Cc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000049538556 384543872 /nfs/dbraw/zinc/54/38/72/384543872.db2.gz TVXUZNFXRJTIJQ-UHFFFAOYSA-N 0 0 234.642 2.735 50 0 BFAARN Cc1cc(=O)c2c([nH]1)[C@@H](C(C)C)CCC2 ZINC000238231400 384550069 /nfs/dbraw/zinc/55/00/69/384550069.db2.gz IFDHZPHUFBKXCK-SNVBAGLBSA-N 0 0 205.301 2.759 50 0 BFAARN CCC[C@H](C)NC(=O)CCc1ccc(OC)cc1 ZINC000019897716 384553191 /nfs/dbraw/zinc/55/31/91/384553191.db2.gz RLDVRXTYFVXXLG-LBPRGKRZSA-N 0 0 249.354 2.933 50 0 BFAARN COC(=O)c1ccc(-c2ccc(F)cc2F)nc1 ZINC000097757310 384553376 /nfs/dbraw/zinc/55/33/76/384553376.db2.gz HZINORPUINEQOD-UHFFFAOYSA-N 0 0 249.216 2.813 50 0 BFAARN O=C([O-])CC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000019787896 384537814 /nfs/dbraw/zinc/53/78/14/384537814.db2.gz LPBOBLBZKKXQRP-UHFFFAOYSA-N 0 0 248.109 2.558 50 0 BFAARN FC(F)(F)CNCCCc1ccccc1 ZINC000020070259 384571640 /nfs/dbraw/zinc/57/16/40/384571640.db2.gz XBKIFVWVOLMCJL-UHFFFAOYSA-N 0 0 217.234 2.771 50 0 BFAARN C=Cc1cccc(I)c1 ZINC000098210429 384605454 /nfs/dbraw/zinc/60/54/54/384605454.db2.gz UENCBLICVDCSAB-UHFFFAOYSA-N 0 0 230.048 2.934 50 0 BFAARN CC(=O)c1ccc(OCc2cc(C)no2)cc1 ZINC000020253783 384607370 /nfs/dbraw/zinc/60/73/70/384607370.db2.gz KJUNDWDKDQDDNR-UHFFFAOYSA-N 0 0 231.251 2.765 50 0 BFAARN CC(=O)N[C@@]12C[C@H]3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000100054012 384612566 /nfs/dbraw/zinc/61/25/66/384612566.db2.gz WVIRSYCDAYUOMJ-YXSUXZIUSA-N 0 0 221.344 2.872 50 0 in-vitro BFAARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000100056859 384612756 /nfs/dbraw/zinc/61/27/56/384612756.db2.gz KEYGOTKLCRWNDY-RYUDHWBXSA-N 0 0 247.269 2.505 50 0 BFAARN CC(C)(C)C(O)=CC(=O)C(F)(F)C(F)(F)F ZINC000100044057 384612953 /nfs/dbraw/zinc/61/29/53/384612953.db2.gz FTTQCEGWFGHNDU-UHFFFAOYSA-N 0 0 246.175 2.758 50 0 BFAARN CCCC1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000100072230 384614407 /nfs/dbraw/zinc/61/44/07/384614407.db2.gz OGJINVIYPLULOK-UHFFFAOYSA-N 0 0 234.274 2.978 50 0 BFAARN CCCc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000100137277 384618074 /nfs/dbraw/zinc/61/80/74/384618074.db2.gz GKYWXLBARGQODW-UHFFFAOYSA-N 0 0 202.257 2.530 50 0 BFAARN Cc1cc(C)c2c(=O)n(-c3ccccc3)nc-2[nH]1 ZINC000100137725 384618482 /nfs/dbraw/zinc/61/84/82/384618482.db2.gz HIXUVUJDKKNNGA-UHFFFAOYSA-N 0 0 239.278 2.743 50 0 BFAARN O=C1[C@@H]2C[C@@H]3C[C@H]1C[C@](Br)(C2)C3 ZINC000100261678 384627183 /nfs/dbraw/zinc/62/71/83/384627183.db2.gz TXEWIOREYPSNRR-XYYXLIQBSA-N 0 0 229.117 2.529 50 0 BFAARN O=c1[nH]c2ccccc2c(O)c1-c1ccccc1 ZINC000100258164 384628968 /nfs/dbraw/zinc/62/89/68/384628968.db2.gz WNISVGSZMGXKHE-UHFFFAOYSA-N 0 0 237.258 2.901 50 0 in-vivo BFAARN Cc1n[nH]cc1Nc1ncnc2cccc(F)c21 ZINC000071899472 384595003 /nfs/dbraw/zinc/59/50/03/384595003.db2.gz DCPXHGUYHCBMFG-UHFFFAOYSA-N 0 0 243.245 2.544 50 0 BFAARN O=C(Nc1ncccc1Cl)[C@H]1C[C@H]1C1CC1 ZINC000097046952 384597992 /nfs/dbraw/zinc/59/79/92/384597992.db2.gz CJKHKRZLNASZQB-IUCAKERBSA-N 0 0 236.702 2.720 50 0 BFAARN CC(=O)OC[C@@]12CC=C(C)[C@@H]([C@@H](C)OC1)[C@@H]2C ZINC000013424796 384632360 /nfs/dbraw/zinc/63/23/60/384632360.db2.gz KSCMOJQRHWGLDT-OIMNJJJWSA-N 0 0 238.327 2.557 50 0 BFAARN O=Cc1cnc2ccc(Br)cc2c1 ZINC000082331841 384669060 /nfs/dbraw/zinc/66/90/60/384669060.db2.gz PCHCYMZZDAUVQB-UHFFFAOYSA-N 0 0 236.068 2.810 50 0 BFAARN Cn1nc(Cl)c2ccc(Br)cc21 ZINC000089157376 384670302 /nfs/dbraw/zinc/67/03/02/384670302.db2.gz RHTHXDOLGOEEAY-UHFFFAOYSA-N 0 0 245.507 2.989 50 0 BFAARN Cc1noc(C(C)C)c1C(=O)NCc1ccco1 ZINC000021555376 384673632 /nfs/dbraw/zinc/67/36/32/384673632.db2.gz JOKKUBUGHDVTLM-UHFFFAOYSA-N 0 0 248.282 2.629 50 0 BFAARN Cn1[nH]cc2nc(-c3ccccc3Cl)nc1-2 ZINC000020919522 384642885 /nfs/dbraw/zinc/64/28/85/384642885.db2.gz IFBPXENYCKULHY-UHFFFAOYSA-N 0 0 232.674 2.617 50 0 BFAARN CC(C)[S@](=O)c1ccc(Br)cc1 ZINC000082046454 384643976 /nfs/dbraw/zinc/64/39/76/384643976.db2.gz KNOPNGNHCUFBRQ-GFCCVEGCSA-N 0 0 247.157 2.965 50 0 BFAARN COC(=O)c1ccc(C(F)(F)F)c(Cl)n1 ZINC000082046729 384644762 /nfs/dbraw/zinc/64/47/62/384644762.db2.gz PODTYUCVUPUSNR-UHFFFAOYSA-N 0 0 239.580 2.540 50 0 BFAARN CC(C)(C)c1nnc(-c2cccc(N)c2)o1 ZINC000021004456 384645151 /nfs/dbraw/zinc/64/51/51/384645151.db2.gz KZVYJIALRIHGLZ-UHFFFAOYSA-N 0 0 217.272 2.616 50 0 BFAARN Cc1ccc(C(=O)N2CCc3ccccc32)n1C ZINC000021278609 384657346 /nfs/dbraw/zinc/65/73/46/384657346.db2.gz MUYGBXOOVOOZCJ-UHFFFAOYSA-N 0 0 240.306 2.536 50 0 BFAARN CC/C=C/COC(=O)c1scnc1C ZINC000071913748 384726103 /nfs/dbraw/zinc/72/61/03/384726103.db2.gz PELINRFOEMVHAJ-SNAWJCMRSA-N 0 0 211.286 2.575 50 0 BFAARN O=C1CCc2c1c(Br)ccc2F ZINC000082420058 384683899 /nfs/dbraw/zinc/68/38/99/384683899.db2.gz AIVSTGKLEISXKC-UHFFFAOYSA-N 0 0 229.048 2.717 50 0 BFAARN C[C@]1(C(=O)Nc2ccncc2)CC1(Cl)Cl ZINC000011535863 384690106 /nfs/dbraw/zinc/69/01/06/384690106.db2.gz LSKUAKBTZWKYBO-SECBINFHSA-N 0 0 245.109 2.604 50 0 BFAARN CSc1nsc(NCc2ccccc2)n1 ZINC000075824812 384692957 /nfs/dbraw/zinc/69/29/57/384692957.db2.gz UIEIKUDWPSVDNZ-UHFFFAOYSA-N 0 0 237.353 2.872 50 0 BFAARN c1ccc2nc(-c3nc(C4CC4)no3)cnc2c1 ZINC000078774223 384713873 /nfs/dbraw/zinc/71/38/73/384713873.db2.gz YBBSMEJJGNTDID-UHFFFAOYSA-N 0 0 238.250 2.557 50 0 BFAARN CSCc1ccc(-n2ccnc2)cc1 ZINC000078990986 384714623 /nfs/dbraw/zinc/71/46/23/384714623.db2.gz BBUMMKBDAGBSPA-UHFFFAOYSA-N 0 0 204.298 2.735 50 0 BFAARN CCc1oc(C(=O)Nc2cnoc2C)cc1C ZINC000097230294 384715497 /nfs/dbraw/zinc/71/54/97/384715497.db2.gz TUCREVVREPSMBV-UHFFFAOYSA-N 0 0 234.255 2.699 50 0 BFAARN c1cnc(N[C@@H]2CCCc3ccccc32)nc1 ZINC000022034760 384722565 /nfs/dbraw/zinc/72/25/65/384722565.db2.gz LUZUFAVGXCCLLD-CYBMUJFWSA-N 0 0 225.295 2.966 50 0 BFAARN CN(C)c1nc(-c2ccccc2)c(C=O)s1 ZINC000052345254 384730973 /nfs/dbraw/zinc/73/09/73/384730973.db2.gz HGVBOPKWOUTSAI-UHFFFAOYSA-N 0 0 232.308 2.689 50 0 BFAARN c1ccc(N2CC[C@H]3CCCC[C@@H]32)nc1 ZINC000080972548 384733726 /nfs/dbraw/zinc/73/37/26/384733726.db2.gz ZCFZTNRSWIDGOO-NEPJUHHUSA-N 0 0 202.301 2.851 50 0 BFAARN CC(=O)c1ccc2cccc3nc[nH]c1c23 ZINC000018100276 384780961 /nfs/dbraw/zinc/78/09/61/384780961.db2.gz QMVJZVGSCWOBAV-UHFFFAOYSA-N 0 0 210.236 2.919 50 0 BFAARN C[C@@H](Cc1ccoc1)NC(=O)/C=C/c1ccoc1 ZINC000206718854 384779363 /nfs/dbraw/zinc/77/93/63/384779363.db2.gz FVESPFABUYEYHE-VUDBWIFFSA-N 0 0 245.278 2.633 50 0 BFAARN CN(Cc1cn2ccccc2n1)c1ccccc1 ZINC000061745094 384739738 /nfs/dbraw/zinc/73/97/38/384739738.db2.gz RLWURKBHRBANCA-UHFFFAOYSA-N 0 0 237.306 2.971 50 0 BFAARN CCOc1ccc(CNc2cc(C)on2)cc1 ZINC000083358748 384750277 /nfs/dbraw/zinc/75/02/77/384750277.db2.gz RJGVNTDSWKMAOO-UHFFFAOYSA-N 0 0 232.283 2.994 50 0 BFAARN COC(=O)[C@H]1CCCCN1Cc1ccccc1C ZINC000048251545 384752465 /nfs/dbraw/zinc/75/24/65/384752465.db2.gz BAEPSUXSKFEFRB-CQSZACIVSA-N 0 0 247.338 2.523 50 0 BFAARN COC(=O)c1occc1-c1ccccc1 ZINC000083255204 384755384 /nfs/dbraw/zinc/75/53/84/384755384.db2.gz NCUSDJQPBORFOB-UHFFFAOYSA-N 0 0 202.209 2.733 50 0 BFAARN CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C2CC2)on1 ZINC000084721579 384763964 /nfs/dbraw/zinc/76/39/64/384763964.db2.gz LRXYMLGLSWNQKI-RKDXNWHRSA-N 0 0 236.315 2.716 50 0 BFAARN COC[C@H](C)Nc1ccccc1Br ZINC000053172250 384767151 /nfs/dbraw/zinc/76/71/51/384767151.db2.gz RESDJCQTDKZPLW-QMMMGPOBSA-N 0 0 244.132 2.896 50 0 BFAARN COC[C@H](C)Nc1ccc(SC)cc1 ZINC000053172074 384767786 /nfs/dbraw/zinc/76/77/86/384767786.db2.gz DLFDBPBFAMAGLY-VIFPVBQESA-N 0 0 211.330 2.855 50 0 BFAARN CC(=O)Nc1n[nH]c(-c2ccc(C)cc2)c1C ZINC000013111456 384819272 /nfs/dbraw/zinc/81/92/72/384819272.db2.gz SPNOTUPHSQXUSA-UHFFFAOYSA-N 0 0 229.283 2.652 50 0 BFAARN COc1ccc(N)cc1C(=O)c1ccccc1 ZINC000041248083 384827964 /nfs/dbraw/zinc/82/79/64/384827964.db2.gz CWBOUNYPCOGQQD-UHFFFAOYSA-N 0 0 227.263 2.508 50 0 BFAARN CCCCNC(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000022990813 384784961 /nfs/dbraw/zinc/78/49/61/384784961.db2.gz ZGPJUARZMDWFCH-FNORWQNLSA-N 0 0 245.322 2.551 50 0 BFAARN C[C@@H](NC(=O)c1cccnc1)c1cccs1 ZINC000023079537 384786579 /nfs/dbraw/zinc/78/65/79/384786579.db2.gz WOGNOWISQCBQIW-SECBINFHSA-N 0 0 232.308 2.634 50 0 BFAARN C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCC(=O)[O-] ZINC000175603944 384803327 /nfs/dbraw/zinc/80/33/27/384803327.db2.gz UHKGQOAKWZRNDI-OCCSQVGLSA-N 0 0 247.338 2.729 50 0 BFAARN Cc1nnc(SCc2ccccc2F)n1C ZINC000003296496 384805160 /nfs/dbraw/zinc/80/51/60/384805160.db2.gz OSQDZNOAOMSYEL-UHFFFAOYSA-N 0 0 237.303 2.555 50 0 BFAARN CC(C)(C)c1ccc(OCc2nnc(N)o2)cc1 ZINC000026473160 384876909 /nfs/dbraw/zinc/87/69/09/384876909.db2.gz WKLHGBZSFIJFEC-UHFFFAOYSA-N 0 0 247.298 2.528 50 0 BFAARN Fc1ccc(CNc2cnccn2)c(Cl)c1 ZINC000225406869 384846015 /nfs/dbraw/zinc/84/60/15/384846015.db2.gz PKCWUFOOWHHMST-UHFFFAOYSA-N 0 0 237.665 2.881 50 0 BFAARN COc1cc(C(=O)NC(C)C)cc2occc21 ZINC000072240061 384848779 /nfs/dbraw/zinc/84/87/79/384848779.db2.gz FGJULZJQCNPMPQ-UHFFFAOYSA-N 0 0 233.267 2.580 50 0 BFAARN O=C(Nc1nc(C2CC2)cs1)c1ccoc1 ZINC000025562668 384855776 /nfs/dbraw/zinc/85/57/76/384855776.db2.gz CDFMVMDCZRHFPF-UHFFFAOYSA-N 0 0 234.280 2.866 50 0 BFAARN O=C(c1ccc(-c2ccco2)o1)N1CCCC1 ZINC000072243295 384855882 /nfs/dbraw/zinc/85/58/82/384855882.db2.gz KSVAGLGBWXNSJH-UHFFFAOYSA-N 0 0 231.251 2.776 50 0 BFAARN C[C@@H](NC(=O)N[C@H](C)C1CCC1)c1ccco1 ZINC000095440217 384856261 /nfs/dbraw/zinc/85/62/61/384856261.db2.gz XMSRJQXUOSFDPE-NXEZZACHSA-N 0 0 236.315 2.828 50 0 BFAARN CC(=O)[C@H]1CC=C(Br)CC1 ZINC000085483014 384949025 /nfs/dbraw/zinc/94/90/25/384949025.db2.gz MFZYGUCXBQSIAS-ZETCQYMHSA-N 0 0 203.079 2.654 50 0 BFAARN Cc1ccc(NC(=O)Cc2cccc(F)c2)nc1 ZINC000057541810 384952474 /nfs/dbraw/zinc/95/24/74/384952474.db2.gz RPSFQNLPYXGBEO-UHFFFAOYSA-N 0 0 244.269 2.710 50 0 BFAARN CSc1nc2nccc(-c3cccs3)n2n1 ZINC000057530968 384954522 /nfs/dbraw/zinc/95/45/22/384954522.db2.gz OLXXFIKBIUOMOQ-UHFFFAOYSA-N 0 0 248.336 2.575 50 0 BFAARN Cc1cc(C(=O)N2CCC3(C2)CCCCC3)no1 ZINC000095401720 384902864 /nfs/dbraw/zinc/90/28/64/384902864.db2.gz IUDRWXFLLVVJBR-UHFFFAOYSA-N 0 0 248.326 2.779 50 0 BFAARN Cc1ccnc(NC(=O)c2ccsc2)c1 ZINC000027648472 384904760 /nfs/dbraw/zinc/90/47/60/384904760.db2.gz IKBITZQLXOKQPU-UHFFFAOYSA-N 0 0 218.281 2.704 50 0 BFAARN Cc1noc([C@H](C)N2CCc3sccc3C2)n1 ZINC000027812874 384916084 /nfs/dbraw/zinc/91/60/84/384916084.db2.gz RVQMCQIGFZHMKE-QMMMGPOBSA-N 0 0 249.339 2.559 50 0 BFAARN Cc1cc2sc3nncn3c2c(C)c1 ZINC000002024903 384924179 /nfs/dbraw/zinc/92/41/79/384924179.db2.gz OSXXJJFPJYFCPT-UHFFFAOYSA-N 0 0 203.270 2.561 50 0 BFAARN COc1ncc(Br)cc1C(F)F ZINC000107267710 384959753 /nfs/dbraw/zinc/95/97/53/384959753.db2.gz AJNHTTUMXPNNAH-UHFFFAOYSA-N 0 0 238.031 2.790 50 0 BFAARN c1ccc(N[C@@H]2CCOC3(CCCC3)C2)nc1 ZINC000095425687 384931226 /nfs/dbraw/zinc/93/12/26/384931226.db2.gz RTNRWYITFPQPCJ-GFCCVEGCSA-N 0 0 232.327 2.985 50 0 BFAARN Nc1ccc2nc(C(F)F)sc2c1 ZINC000085279094 384933815 /nfs/dbraw/zinc/93/38/15/384933815.db2.gz FOFMNMOYBHDIDQ-UHFFFAOYSA-N 0 0 200.213 2.816 50 0 BFAARN CN1C(=O)c2ccc(Cl)cc2NC1(C)C ZINC000057291832 384936550 /nfs/dbraw/zinc/93/65/50/384936550.db2.gz UOCFBOHJXVHADA-UHFFFAOYSA-N 0 0 224.691 2.574 50 0 BFAARN COCc1cccc(Br)c1 ZINC000028278323 384943132 /nfs/dbraw/zinc/94/31/32/384943132.db2.gz BZYGFMKYRKQSQG-UHFFFAOYSA-N 0 0 201.063 2.596 50 0 BFAARN Cc1[nH]ccc1C(=O)N(C)[C@H](C)c1ccncc1 ZINC000175907431 384977827 /nfs/dbraw/zinc/97/78/27/384977827.db2.gz KSYROJCONZYXQH-LLVKDONJSA-N 0 0 243.310 2.551 50 0 BFAARN Cc1[nH]ccc1C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000175907394 384978039 /nfs/dbraw/zinc/97/80/39/384978039.db2.gz KSYROJCONZYXQH-NSHDSACASA-N 0 0 243.310 2.551 50 0 BFAARN c1cc(-c2nc3c4ccccc4ncn3n2)co1 ZINC000058047131 384978876 /nfs/dbraw/zinc/97/88/76/384978876.db2.gz IJTHTOQRONDHEA-UHFFFAOYSA-N 0 0 236.234 2.538 50 0 BFAARN CCCCNC(=O)CSc1ccc(F)cc1 ZINC000058080360 384983731 /nfs/dbraw/zinc/98/37/31/384983731.db2.gz UDTRQQQIPMGOKQ-UHFFFAOYSA-N 0 0 241.331 2.834 50 0 BFAARN CC(C)[C@H](NC(=O)C1CC1)c1ccccc1 ZINC000058230622 384987993 /nfs/dbraw/zinc/98/79/93/384987993.db2.gz NYTNWYFDAHZOON-ZDUSSCGKSA-N 0 0 217.312 2.910 50 0 BFAARN O=C(CCNc1ccccc1)N1CCCCC1 ZINC000058264941 384991892 /nfs/dbraw/zinc/99/18/92/384991892.db2.gz DUNZZUBRXDLOJL-UHFFFAOYSA-N 0 0 232.327 2.501 50 0 BFAARN CC(C)CC(=O)N(Cc1ccccn1)C1CC1 ZINC000058344585 385000690 /nfs/dbraw/zinc/00/06/90/385000690.db2.gz AVMLPNDIFUNNQN-UHFFFAOYSA-N 0 0 232.327 2.619 50 0 BFAARN CC(C)CC(=O)NCCc1cccc(F)c1 ZINC000058363987 385000973 /nfs/dbraw/zinc/00/09/73/385000973.db2.gz URBYYUODGDVABP-UHFFFAOYSA-N 0 0 223.291 2.531 50 0 BFAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccn(C)n2)C1(C)C ZINC000058424048 385003619 /nfs/dbraw/zinc/00/36/19/385003619.db2.gz AQTPEKSWUJLIOI-JQWIXIFHSA-N 0 0 247.342 2.597 50 0 BFAARN Cc1ccc([C@@H](O)c2ccc(O)cc2)cc1 ZINC000059996055 385060652 /nfs/dbraw/zinc/06/06/52/385060652.db2.gz YROLENHJECWGMN-CQSZACIVSA-N 0 0 214.264 2.782 50 0 BFAARN Cc1nc(C)c(C(=O)N2CCC(C)CC2)s1 ZINC000058872811 385031730 /nfs/dbraw/zinc/03/17/30/385031730.db2.gz FFLUAPWTPZEMEE-UHFFFAOYSA-N 0 0 238.356 2.632 50 0 BFAARN Cc1nc(CSc2ccccc2F)no1 ZINC000057694523 385039704 /nfs/dbraw/zinc/03/97/04/385039704.db2.gz ZKDDCSHEIGYKDE-UHFFFAOYSA-N 0 0 224.260 2.809 50 0 BFAARN CC(=O)c1c(N)nc(-c2ccccc2)[nH]c1=S ZINC000004034807 385129880 /nfs/dbraw/zinc/12/98/80/385129880.db2.gz MYASUYIITPVZLT-UHFFFAOYSA-N 0 0 245.307 2.591 50 0 BFAARN CC(=O)c1ccc(N(C)C)c(Br)c1 ZINC000061693619 385132713 /nfs/dbraw/zinc/13/27/13/385132713.db2.gz MICXBJJGVAFDNE-UHFFFAOYSA-N 0 0 242.116 2.718 50 0 BFAARN CNc1nc2c(s1)COc1ccccc1-2 ZINC000061714330 385135662 /nfs/dbraw/zinc/13/56/62/385135662.db2.gz JLGVYBJOTIOVNI-UHFFFAOYSA-N 0 0 218.281 2.744 50 0 BFAARN Cc1cc(C(=O)N[C@@H](C)c2cccnc2)c(C)o1 ZINC000032819210 385183907 /nfs/dbraw/zinc/18/39/07/385183907.db2.gz WMFOQUZJRAUITQ-JTQLQIEISA-N 0 0 244.294 2.782 50 0 BFAARN CCC1(CNC(=O)C[C@@H]2CCCO2)CCCC1 ZINC000096473323 385187673 /nfs/dbraw/zinc/18/76/73/385187673.db2.gz FOEDSYBCMXJCIS-LBPRGKRZSA-N 0 0 239.359 2.642 50 0 BFAARN CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC000062877557 385192835 /nfs/dbraw/zinc/19/28/35/385192835.db2.gz RYPAYHSHXCUXSE-HNNXBMFYSA-N 0 0 247.338 2.763 50 0 BFAARN Nc1cc(-c2cn3ccsc3n2)ccc1F ZINC000061957804 385148655 /nfs/dbraw/zinc/14/86/55/385148655.db2.gz SGDJWMZMHGYPKX-UHFFFAOYSA-N 0 0 233.271 2.784 50 0 BFAARN CC(C)=CCSc1ccccc1C(N)=O ZINC000096420607 385149022 /nfs/dbraw/zinc/14/90/22/385149022.db2.gz RGGVXKDMIXCCPZ-UHFFFAOYSA-N 0 0 221.325 2.844 50 0 BFAARN COC(Cc1cccc(Cl)c1)OC ZINC000062152094 385162743 /nfs/dbraw/zinc/16/27/43/385162743.db2.gz HXFDKNFRSDFQDE-UHFFFAOYSA-N 0 0 200.665 2.501 50 0 BFAARN FCCn1ccc2c1nc(Cl)nc2Cl ZINC000095629781 385165738 /nfs/dbraw/zinc/16/57/38/385165738.db2.gz XGJZRSSMPLGXDD-UHFFFAOYSA-N 0 0 234.061 2.708 50 0 BFAARN CC(=O)CCCc1nc(-c2cccc(F)c2)no1 ZINC000032541056 385169161 /nfs/dbraw/zinc/16/91/61/385169161.db2.gz PRFYYRYZJVKFAT-UHFFFAOYSA-N 0 0 248.257 2.787 50 0 BFAARN CO[C@@H](C)CCOC(=O)C1(c2ccccc2)CC1 ZINC000096442913 385171043 /nfs/dbraw/zinc/17/10/43/385171043.db2.gz FFKAFPRLSINJRF-LBPRGKRZSA-N 0 0 248.322 2.686 50 0 BFAARN Cc1ccc(C(=O)NCc2ccccc2)s1 ZINC000005557794 385173008 /nfs/dbraw/zinc/17/30/08/385173008.db2.gz IRGVOFLFCYQJQY-UHFFFAOYSA-N 0 0 231.320 2.987 50 0 BFAARN CCS[C@@H]1CCC[C@@H]1NC(=O)C1CCCC1 ZINC000096450670 385173352 /nfs/dbraw/zinc/17/33/52/385173352.db2.gz IOKQYDOGBPGVPN-NWDGAFQWSA-N 0 0 241.400 2.967 50 0 BFAARN CCCC(=O)N[C@H]1CCC[C@H]1SCC ZINC000096450669 385173821 /nfs/dbraw/zinc/17/38/21/385173821.db2.gz KSALHUBUULOPBW-VHSXEESVSA-N 0 0 215.362 2.577 50 0 BFAARN Cc1ccc([C@H](C)NC(=O)C2CCCC2)o1 ZINC000032721744 385179951 /nfs/dbraw/zinc/17/99/51/385179951.db2.gz BHLUDVSDPKHETM-JTQLQIEISA-N 0 0 221.300 2.955 50 0 BFAARN O=[N+]([O-])/C=C\c1ccccc1C(F)(F)F ZINC000033284649 385221553 /nfs/dbraw/zinc/22/15/53/385221553.db2.gz CAXVHMDVSKVTID-WAYWQWQTSA-N 0 0 217.146 2.953 50 0 BFAARN C[C@@H]1Cn2c(nnc2-c2cccc(F)c2)S1 ZINC000000110482 385225259 /nfs/dbraw/zinc/22/52/59/385225259.db2.gz TZSOYPGBWUBLMI-SSDOTTSWSA-N 0 0 235.287 2.578 50 0 BFAARN Clc1ncnc2c(Br)coc21 ZINC000064033655 385242939 /nfs/dbraw/zinc/24/29/39/385242939.db2.gz UCSMOMJNVDQFHX-UHFFFAOYSA-N 0 0 233.452 2.639 50 0 BFAARN CC(C)(C)OC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000064038039 385243853 /nfs/dbraw/zinc/24/38/53/385243853.db2.gz BQRMVHVRBBRSOH-PHIMTYICSA-N 0 0 223.316 2.820 50 0 BFAARN Cc1cc(C)nc(NCc2cc(C(C)C)on2)n1 ZINC000065393683 385302716 /nfs/dbraw/zinc/30/27/16/385302716.db2.gz YEONAKRJIIAHRP-UHFFFAOYSA-N 0 0 246.314 2.817 50 0 BFAARN Cc1cc(C)c(-c2cc(C(N)=O)ccn2)c(C)c1 ZINC000065372020 385303476 /nfs/dbraw/zinc/30/34/76/385303476.db2.gz YYMBOLARSGWYGJ-UHFFFAOYSA-N 0 0 240.306 2.773 50 0 BFAARN O=C(/C=C\c1cccs1)Nc1nccs1 ZINC000096551375 385306289 /nfs/dbraw/zinc/30/62/89/385306289.db2.gz HXJMWXZUPOLKIM-ARJAWSKDSA-N 0 0 236.321 2.857 50 0 BFAARN CSCC(=O)Nc1ccc(C)c(C)c1 ZINC000000615680 385279220 /nfs/dbraw/zinc/27/92/20/385279220.db2.gz MPWDKDIOOZCBEY-UHFFFAOYSA-N 0 0 209.314 2.605 50 0 BFAARN Cc1cccc(C(=O)Oc2cccccc2=O)c1 ZINC000000447170 385279313 /nfs/dbraw/zinc/27/93/13/385279313.db2.gz YDORUGQDHPAEDN-UHFFFAOYSA-N 0 0 240.258 2.574 50 0 biogenic BFAARN O=Cc1cc(F)cc(Br)c1F ZINC000034330887 385279715 /nfs/dbraw/zinc/27/97/15/385279715.db2.gz TVCPYZKOMHPTLX-UHFFFAOYSA-N 0 0 221.000 2.540 50 0 BFAARN [NH3+]Cc1cccc(-c2ccc(C(=O)[O-])cc2)c1 ZINC000032565310 385285378 /nfs/dbraw/zinc/28/53/78/385285378.db2.gz VUITXBJYPYIZIM-UHFFFAOYSA-N 0 0 227.263 2.511 50 0 BFAARN CNc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000187374543 385294713 /nfs/dbraw/zinc/29/47/13/385294713.db2.gz JSFXRSHYETZAQS-SECBINFHSA-N 0 0 241.718 2.797 50 0 BFAARN C[C@@H]1c2cccn2CCN1C(=O)NC1CCCC1 ZINC000015783054 385341161 /nfs/dbraw/zinc/34/11/61/385341161.db2.gz FPFOYBOHNPMTLN-LLVKDONJSA-N 0 0 247.342 2.517 50 0 BFAARN Cc1ccc(S[C@@H]2CCN(C)C2=O)c(C)c1 ZINC000098010241 385357186 /nfs/dbraw/zinc/35/71/86/385357186.db2.gz ISEPUTDLZGEQQO-GFCCVEGCSA-N 0 0 235.352 2.626 50 0 BFAARN Cc1cscc1-c1nc([C@@H]2CCOC2)no1 ZINC000098019190 385358785 /nfs/dbraw/zinc/35/87/85/385358785.db2.gz VURLPEZEHDCHMM-MRVPVSSYSA-N 0 0 236.296 2.610 50 0 BFAARN FC(F)(F)c1ccnc(N2CCSC2)c1 ZINC000169725710 385418392 /nfs/dbraw/zinc/41/83/92/385418392.db2.gz GLLYBQDBKZYZRM-UHFFFAOYSA-N 0 0 234.246 2.611 50 0 BFAARN FC(F)(F)c1ncccc1N1CCSC1 ZINC000169725738 385418873 /nfs/dbraw/zinc/41/88/73/385418873.db2.gz HGYYHXSFKKNHJT-UHFFFAOYSA-N 0 0 234.246 2.611 50 0 BFAARN Brc1nccn1Cc1ccccc1 ZINC000032500030 385446085 /nfs/dbraw/zinc/44/60/85/385446085.db2.gz KQCACPNUWPQBMF-UHFFFAOYSA-N 0 0 237.100 2.694 50 0 BFAARN CC(C)Cn1cnc2c3ccccc3[nH]c2c1=O ZINC000000525805 385454248 /nfs/dbraw/zinc/45/42/48/385454248.db2.gz GMBGPRWPVUMHGY-UHFFFAOYSA-N 0 0 241.294 2.534 50 0 biogenic BFAARN Cc1ccc(Oc2ncccc2N)cc1 ZINC000005728592 385695886 /nfs/dbraw/zinc/69/58/86/385695886.db2.gz NDCFOIJNPBIOOB-UHFFFAOYSA-N 0 0 200.241 2.765 50 0 BFAARN O=C(NN=Cc1ccco1)c1ccc(Cl)cc1 ZINC000254705259 385716295 /nfs/dbraw/zinc/71/62/95/385716295.db2.gz UNVOTDGPNAVDAJ-UHFFFAOYSA-N 0 0 248.669 2.697 50 0 BFAARN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCO2)cc1C ZINC000001054528 385728637 /nfs/dbraw/zinc/72/86/37/385728637.db2.gz CAXVXLIMLXPGLH-TZMCWYRMSA-N 0 0 247.338 2.660 50 0 BFAARN CCOP(=O)(OCC)N(CC)CC ZINC000001799343 385749225 /nfs/dbraw/zinc/74/92/25/385749225.db2.gz SZAAJLKHJPJRJQ-UHFFFAOYSA-N 0 0 209.226 2.509 50 0 BFAARN CC(C)(C)OC(=O)n1ccc(Cl)c1 ZINC000261493625 385815408 /nfs/dbraw/zinc/81/54/08/385815408.db2.gz GBSKGTRKGNCZCH-UHFFFAOYSA-N 0 0 201.653 2.925 50 0 BFAARN CN(Cc1cccs1)C(=O)c1ccccc1O ZINC000031345529 385910217 /nfs/dbraw/zinc/91/02/17/385910217.db2.gz BDORNHVGIHYEJS-UHFFFAOYSA-N 0 0 247.319 2.726 50 0 BFAARN Cc1ccc([C@H](C)NCc2noc(C(C)C)n2)o1 ZINC000182573329 385876527 /nfs/dbraw/zinc/87/65/27/385876527.db2.gz VKCRFHXZTNJVMQ-JTQLQIEISA-N 0 0 249.314 2.945 50 0 BFAARN COc1ccccc1NC(=O)/C=C\c1ccco1 ZINC000012729676 385978542 /nfs/dbraw/zinc/97/85/42/385978542.db2.gz DSLKZOZKZHXIRE-HJWRWDBZSA-N 0 0 243.262 2.940 50 0 BFAARN Cc1ccccc1NC(=O)c1cc(F)c[nH]1 ZINC000335068759 386015692 /nfs/dbraw/zinc/01/56/92/386015692.db2.gz MUIYOJFQPWGAQH-UHFFFAOYSA-N 0 0 218.231 2.715 50 0 BFAARN Cc1ccnc(-c2noc(C(C)(C)F)n2)c1 ZINC000273716541 386026957 /nfs/dbraw/zinc/02/69/57/386026957.db2.gz ISBQNYNZHRSGGX-UHFFFAOYSA-N 0 0 221.235 2.645 50 0 BFAARN CS[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000225614382 386058714 /nfs/dbraw/zinc/05/87/14/386058714.db2.gz QCPGMMJPECADLI-LLVKDONJSA-N 0 0 227.373 2.531 50 0 BFAARN CS[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000225614417 386062421 /nfs/dbraw/zinc/06/24/21/386062421.db2.gz QCPGMMJPECADLI-NSHDSACASA-N 0 0 227.373 2.531 50 0 BFAARN CC(C)=CCC/C(C)=C/CNc1ncncn1 ZINC000223691583 386093910 /nfs/dbraw/zinc/09/39/10/386093910.db2.gz ZJGYMZQMNSTXBO-KPKJPENVSA-N 0 0 232.331 2.976 50 0 BFAARN CC(=O)c1c(F)cc(F)cc1Br ZINC000263623657 386157820 /nfs/dbraw/zinc/15/78/20/386157820.db2.gz JKHDUMYRDVELBF-UHFFFAOYSA-N 0 0 235.027 2.930 50 0 BFAARN FC(F)Oc1cncc(C(F)(F)F)c1 ZINC000263623117 386158114 /nfs/dbraw/zinc/15/81/14/386158114.db2.gz DTYDGNOXXLVOSA-UHFFFAOYSA-N 0 0 213.105 2.702 50 0 BFAARN Cc1ccc(C(=O)Nc2cccc(N)c2)s1 ZINC000019408595 386160381 /nfs/dbraw/zinc/16/03/81/386160381.db2.gz DFZAJALEWGGDNK-UHFFFAOYSA-N 0 0 232.308 2.891 50 0 BFAARN COC(=O)c1cc(Cl)c2ccccc2c1O ZINC000000610759 386137378 /nfs/dbraw/zinc/13/73/78/386137378.db2.gz YXHHYWLUQOYFSN-UHFFFAOYSA-N 0 0 236.654 2.985 50 0 BFAARN c1ccc2c(c1)CCN2C[C@H]1CCSC1 ZINC000225625050 386208342 /nfs/dbraw/zinc/20/83/42/386208342.db2.gz DBPGAYUBDKSULJ-LLVKDONJSA-N 0 0 219.353 2.802 50 0 BFAARN c1cnc(NCc2nc3ccccc3s2)nc1 ZINC000044866669 386228035 /nfs/dbraw/zinc/22/80/35/386228035.db2.gz PCBGJEIKDHGXSK-UHFFFAOYSA-N 0 0 242.307 2.698 50 0 BFAARN CC[C@H]1CCCC[C@H]1Nc1ncnc2oncc21 ZINC000225503428 386197734 /nfs/dbraw/zinc/19/77/34/386197734.db2.gz NZMDERKPXAEKSR-GXSJLCMTSA-N 0 0 246.314 2.999 50 0 BFAARN c1cn(Cc2nc3ccccc3s2)cn1 ZINC000032860169 386318905 /nfs/dbraw/zinc/31/89/05/386318905.db2.gz JMKXEPJZVZBCEY-UHFFFAOYSA-N 0 0 215.281 2.541 50 0 BFAARN C=Cn1cc(CNc2cccc3c2CCO3)cn1 ZINC000355516710 386277351 /nfs/dbraw/zinc/27/73/51/386277351.db2.gz QMXZYSHMJDLFHB-UHFFFAOYSA-N 0 0 241.294 2.531 50 0 BFAARN Cc1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)no1 ZINC000052918036 386354720 /nfs/dbraw/zinc/35/47/20/386354720.db2.gz KFTGPOALGWOPPR-DGCLKSJQSA-N 0 0 248.326 2.778 50 0 BFAARN CC[C@@H](C)n1c2ccccc2nc1CCCO ZINC000012949611 386415856 /nfs/dbraw/zinc/41/58/56/386415856.db2.gz QHRSKPBPUWDGHI-LLVKDONJSA-N 0 0 232.327 2.932 50 0 BFAARN COC(=O)c1ccc2cc(C)ccc2c1O ZINC000238407553 386477554 /nfs/dbraw/zinc/47/75/54/386477554.db2.gz JIANYUAJQVQFJP-UHFFFAOYSA-N 0 0 216.236 2.640 50 0 BFAARN Cc1ccnc([C@@](C)(O)c2ccccc2)c1 ZINC000015781929 386528383 /nfs/dbraw/zinc/52/83/83/386528383.db2.gz HRPTXZBMBLGKJS-AWEZNQCLSA-N 0 0 213.280 2.646 50 0 BFAARN Fc1ccc(O[C@H]2CCOC2)c(Cl)c1 ZINC000241897363 386546417 /nfs/dbraw/zinc/54/64/17/386546417.db2.gz TYBUYZRCMIAFQM-QMMMGPOBSA-N 0 0 216.639 2.647 50 0 BFAARN CCC[C@H](C)NC(=O)Nc1ccccc1 ZINC000000409075 386633446 /nfs/dbraw/zinc/63/34/46/386633446.db2.gz ZEQLEAVZSKTONP-JTQLQIEISA-N 0 0 206.289 2.997 50 0 BFAARN CCCc1noc([C@H](C)N2CCC[C@@H](C)C2)n1 ZINC000229120045 386684755 /nfs/dbraw/zinc/68/47/55/386684755.db2.gz FQARJKDRGABXFF-MNOVXSKESA-N 0 0 237.347 2.815 50 0 BFAARN Cc1nc(CN2CCc3sccc3C2)co1 ZINC000647956333 386689449 /nfs/dbraw/zinc/68/94/49/386689449.db2.gz JPHAGIYLHXNDIQ-UHFFFAOYSA-N 0 0 234.324 2.603 50 0 BFAARN O=C(C1CC1)N1CCC[C@@H]1c1ccsc1 ZINC000046912565 386733141 /nfs/dbraw/zinc/73/31/41/386733141.db2.gz VNWQGEQOMZKDMR-LLVKDONJSA-N 0 0 221.325 2.822 50 0 BFAARN CC1(C)CN2C(=O)c3ccccc3[C@H]2S1 ZINC000004072815 386738804 /nfs/dbraw/zinc/73/88/04/386738804.db2.gz WEMLWLXBMJJMNS-LLVKDONJSA-N 0 0 219.309 2.666 50 0 BFAARN Cc1nc(C(=O)Nc2cc(C)ccc2C)co1 ZINC000022606330 386726522 /nfs/dbraw/zinc/72/65/22/386726522.db2.gz APONRWLQAPBIRJ-UHFFFAOYSA-N 0 0 230.267 2.852 50 0 BFAARN Clc1ccc(NC[C@H]2CCSC2)nc1 ZINC000226403359 386769604 /nfs/dbraw/zinc/76/96/04/386769604.db2.gz AFXIGSPAZQCALG-MRVPVSSYSA-N 0 0 228.748 2.900 50 0 BFAARN CC(C)=CC(=O)NC[C@H](C)N(C)c1ccccc1 ZINC000046951355 386761853 /nfs/dbraw/zinc/76/18/53/386761853.db2.gz DUTCOXULIWQIDK-ZDUSSCGKSA-N 0 0 246.354 2.594 50 0 BFAARN c1ccc2c(c1)cccc2C[NH+]1CCOCC1 ZINC000019632897 386781282 /nfs/dbraw/zinc/78/12/82/386781282.db2.gz GGWYLBCLWGXMMY-UHFFFAOYSA-N 0 0 227.307 2.672 50 0 BFAARN Cc1cnc(CNC(=O)Nc2ccc(C)cc2)o1 ZINC000075105200 386798248 /nfs/dbraw/zinc/79/82/48/386798248.db2.gz JNBGDFQJGLRDMG-UHFFFAOYSA-N 0 0 245.282 2.613 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000012915216 386894480 /nfs/dbraw/zinc/89/44/80/386894480.db2.gz BVFWVDWDLGJAFT-LERXQTSPSA-N 0 0 229.323 2.910 50 0 BFAARN COc1ncccc1-c1ncnc2ccsc21 ZINC000032533036 386939665 /nfs/dbraw/zinc/93/96/65/386939665.db2.gz CJDJTMTXBXZEQN-UHFFFAOYSA-N 0 0 243.291 2.762 50 0 BFAARN Cc1cn(-c2ccccc2)nc1Br ZINC000218300369 386968012 /nfs/dbraw/zinc/96/80/12/386968012.db2.gz CQCVLMGJOUCELL-UHFFFAOYSA-N 0 0 237.100 2.943 50 0 BFAARN O=C1Nc2ccccc2[C@H]2CCCC[C@H]12 ZINC000001579169 386994070 /nfs/dbraw/zinc/99/40/70/386994070.db2.gz IZYIINICADMQJQ-KOLCDFICSA-N 0 0 201.269 2.913 50 0 BFAARN CCOc1ccccc1Nc1nc(C)cc(N)n1 ZINC000075156675 387064028 /nfs/dbraw/zinc/06/40/28/387064028.db2.gz YPJCKPOIWYWPRX-UHFFFAOYSA-N 0 0 244.298 2.510 50 0 BFAARN c1nc2ccccc2n1-c1nncc2ccccc21 ZINC000001465684 387024507 /nfs/dbraw/zinc/02/45/07/387024507.db2.gz WVMNVMUMOHBXCS-UHFFFAOYSA-N 0 0 246.273 2.969 50 0 BFAARN CC(C)=CC(=O)NCCSC1CCCC1 ZINC000040511073 387079061 /nfs/dbraw/zinc/07/90/61/387079061.db2.gz IGJXCZYEKYLRQV-UHFFFAOYSA-N 0 0 227.373 2.745 50 0 BFAARN CC(=O)Nc1nccn1Cc1ccccc1Cl ZINC000089265688 387151800 /nfs/dbraw/zinc/15/18/00/387151800.db2.gz ORVCGVRCVUYUNT-UHFFFAOYSA-N 0 0 249.701 2.543 50 0 BFAARN Cc1ccc(-c2cc(N)ncn2)cc1Cl ZINC000123255487 387157743 /nfs/dbraw/zinc/15/77/43/387157743.db2.gz GUUQHTBGDGWHLX-UHFFFAOYSA-N 0 0 219.675 2.688 50 0 BFAARN C1CC1c1nsc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000089817887 387186343 /nfs/dbraw/zinc/18/63/43/387186343.db2.gz BOWWEOJEOKNNMM-AOOOYVTPSA-N 0 0 235.356 2.652 50 0 BFAARN Cc1cc(C)c(C(=O)OCc2ccccc2)[nH]1 ZINC000000391085 387216836 /nfs/dbraw/zinc/21/68/36/387216836.db2.gz UBZQULOXHJSJTI-UHFFFAOYSA-N 0 0 229.279 2.989 50 0 BFAARN CCc1ccc(O)c(NC(=O)c2cscn2)c1 ZINC000074827398 387220221 /nfs/dbraw/zinc/22/02/21/387220221.db2.gz WBHMRJLHRLBCRH-UHFFFAOYSA-N 0 0 248.307 2.663 50 0 BFAARN Fc1ccc(-c2nnc([C@H]3CCCO3)o2)cc1 ZINC000064556871 387221112 /nfs/dbraw/zinc/22/11/12/387221112.db2.gz JJZSKPSECNCLTP-SNVBAGLBSA-N 0 0 234.230 2.727 50 0 BFAARN Cc1nnc([C@@H](C)Oc2ccccc2)o1 ZINC000064556823 387221329 /nfs/dbraw/zinc/22/13/29/387221329.db2.gz HGXNQFVEWIGLPH-MRVPVSSYSA-N 0 0 204.229 2.518 50 0 BFAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)C1CCC1 ZINC000064555488 387221770 /nfs/dbraw/zinc/22/17/70/387221770.db2.gz JIEWAGSENOPELD-LBPRGKRZSA-N 0 0 248.326 2.755 50 0 BFAARN O=Cc1ccccc1OCOc1ccccc1 ZINC000025664236 387259578 /nfs/dbraw/zinc/25/95/78/387259578.db2.gz APUORQMCVNRGDP-UHFFFAOYSA-N 0 0 228.247 2.914 50 0 BFAARN O=NN1CC23CC=CCC2(C1)CC=CC3 ZINC000045070749 387273547 /nfs/dbraw/zinc/27/35/47/387273547.db2.gz WEOFLFZNFTXTFJ-UHFFFAOYSA-N 0 0 204.273 2.656 50 0 BFAARN OCCC[C@]1(O)CCCC[C@@H]1c1ccccc1 ZINC000043762873 387274284 /nfs/dbraw/zinc/27/42/84/387274284.db2.gz GXIZSEVMWHKCPA-HUUCEWRRSA-N 0 0 234.339 2.848 50 0 BFAARN CCS[C@H]1CCC[C@@H]1Nc1ncccn1 ZINC000078996783 387307486 /nfs/dbraw/zinc/30/74/86/387307486.db2.gz VPRBOEVQQSNSGI-UWVGGRQHSA-N 0 0 223.345 2.563 50 0 BFAARN CC[C@H](OC)C(=O)NC1(c2ccccc2C)CC1 ZINC000648467918 387354348 /nfs/dbraw/zinc/35/43/48/387354348.db2.gz RAWYBSVTHIDIQQ-ZDUSSCGKSA-N 0 0 247.338 2.525 50 0 BFAARN C[Si]1(C)c2ccccc2Oc2ccccc21 ZINC000169808139 387323906 /nfs/dbraw/zinc/32/39/06/387323906.db2.gz GGECHZFPEBUJGA-UHFFFAOYSA-N 0 0 226.351 2.615 50 0 BFAARN Cc1ccc(C)c(-c2ncnc(N)c2C)c1 ZINC000084026547 387435920 /nfs/dbraw/zinc/43/59/20/387435920.db2.gz SHJHGFFBQDSQLB-UHFFFAOYSA-N 0 0 213.284 2.651 50 0 BFAARN CCC[C@@]1(COC)CCCN1C(=O)[C@H](C)CC ZINC000192763619 387438061 /nfs/dbraw/zinc/43/80/61/387438061.db2.gz KVYCLFDSVSEADU-OCCSQVGLSA-N 0 0 241.375 2.840 50 0 BFAARN C[C@@H](Cc1ccoc1)NC(=O)Cc1cccs1 ZINC000084829307 387454639 /nfs/dbraw/zinc/45/46/39/387454639.db2.gz YOLFMMSBZLNMGU-JTQLQIEISA-N 0 0 249.335 2.631 50 0 BFAARN O=C(/C=C/c1ccccc1)NCCc1ccoc1 ZINC000090607373 387455963 /nfs/dbraw/zinc/45/59/63/387455963.db2.gz RHHUETXAHXNLOW-VOTSOKGWSA-N 0 0 241.290 2.652 50 0 BFAARN CC(C)(C)C(=O)NCc1cncc(C2CC2)c1 ZINC000575606994 387393968 /nfs/dbraw/zinc/39/39/68/387393968.db2.gz XPTAXLGYOCXLJA-UHFFFAOYSA-N 0 0 232.327 2.621 50 0 BFAARN C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000265214924 387399299 /nfs/dbraw/zinc/39/92/99/387399299.db2.gz FEHPBDRDMSFMQL-WFASDCNBSA-N 0 0 247.338 2.513 50 0 BFAARN COC(=O)NCc1ccc(-c2cccs2)o1 ZINC000575609551 387409700 /nfs/dbraw/zinc/40/97/00/387409700.db2.gz XTCWKZJRHOXJEH-UHFFFAOYSA-N 0 0 237.280 2.864 50 0 BFAARN CNC(=O)c1cccc(Oc2ccccc2)c1 ZINC000005392409 387493649 /nfs/dbraw/zinc/49/36/49/387493649.db2.gz FKCUOISXAGPXMY-UHFFFAOYSA-N 0 0 227.263 2.839 50 0 BFAARN Cc1cc(NC(=O)Nc2ccc(C)cc2)n[nH]1 ZINC000104449526 387495043 /nfs/dbraw/zinc/49/50/43/387495043.db2.gz FGYSXAXCTLPQGD-UHFFFAOYSA-N 0 0 230.271 2.671 50 0 BFAARN Cc1cccc(C(=O)Nc2cccc(F)c2)n1 ZINC000024255348 387475998 /nfs/dbraw/zinc/47/59/98/387475998.db2.gz KTGSVHPYDLKUDO-UHFFFAOYSA-N 0 0 230.242 2.781 50 0 BFAARN C[C@H](O)c1cccc(-c2cccc(N(C)C)c2)n1 ZINC000426701405 387585842 /nfs/dbraw/zinc/58/58/42/387585842.db2.gz KJBLQONGYCMVHM-NSHDSACASA-N 0 0 242.322 2.868 50 0 BFAARN COc1c(C)cc(-c2n[nH]c(C3CC3)n2)cc1C ZINC000426701621 387586857 /nfs/dbraw/zinc/58/68/57/387586857.db2.gz NMBUFMMPBOZKJU-UHFFFAOYSA-N 0 0 243.310 2.975 50 0 BFAARN CCCC=Cc1c(C)nc2[nH]nc(N)c2c1C ZINC000426724036 387588668 /nfs/dbraw/zinc/58/86/68/387588668.db2.gz UFIIOVOBOVOFSY-VOTSOKGWSA-N 0 0 230.315 2.970 50 0 BFAARN O=C(C1CCCC1)N1CCc2sccc2C1 ZINC000032889980 387545657 /nfs/dbraw/zinc/54/56/57/387545657.db2.gz OCGQGGAQOSJFLU-UHFFFAOYSA-N 0 0 235.352 2.823 50 0 BFAARN c1c2ccccc2oc1-c1cnc2n[nH]nc2c1 ZINC000426368408 387561182 /nfs/dbraw/zinc/56/11/82/387561182.db2.gz YOHZKKZCNVPENL-UHFFFAOYSA-N 0 0 236.234 2.766 50 0 BFAARN CCc1nc(-c2ccc([C@H](C)OC)cc2)n(C)n1 ZINC000426393057 387562095 /nfs/dbraw/zinc/56/20/95/387562095.db2.gz QAVDTPRCDAZSEH-JTQLQIEISA-N 0 0 245.326 2.752 50 0 BFAARN OCc1ccccc1-c1n[nH]c(C2CCCC2)n1 ZINC000426386257 387562937 /nfs/dbraw/zinc/56/29/37/387562937.db2.gz DJRMIDRFXVMPFK-UHFFFAOYSA-N 0 0 243.310 2.622 50 0 BFAARN CCC/C=C/c1ccc(CN2CCOCC2)cn1 ZINC000426382941 387563323 /nfs/dbraw/zinc/56/33/23/387563323.db2.gz QLBRLIDILNOGEI-SNAWJCMRSA-N 0 0 246.354 2.727 50 0 BFAARN Cc1cc(-n2cnnc2)ncc1C1=CCCCC1 ZINC000426406109 387565462 /nfs/dbraw/zinc/56/54/62/387565462.db2.gz KUJCAHMDUDZDCZ-UHFFFAOYSA-N 0 0 240.310 2.928 50 0 BFAARN c1ccc2nc(NC[C@H]3CCOC3)ccc2c1 ZINC000037988127 387570084 /nfs/dbraw/zinc/57/00/84/387570084.db2.gz NVMACIVGTPYXNM-LLVKDONJSA-N 0 0 228.295 2.683 50 0 BFAARN Cc1c(-c2ccccc2CO)cnn1C(F)F ZINC000426478802 387574345 /nfs/dbraw/zinc/57/43/45/387574345.db2.gz NPHSMYGHIWREPS-UHFFFAOYSA-N 0 0 238.237 2.746 50 0 BFAARN CSc1cccc(-c2ccc(N(C)C)nc2)n1 ZINC000426510508 387577115 /nfs/dbraw/zinc/57/71/15/387577115.db2.gz WVQAXEUPRQMZOT-UHFFFAOYSA-N 0 0 245.351 2.932 50 0 BFAARN COc1ccc(-c2ncnn2C(C)C)c(OC)c1 ZINC000426518847 387577960 /nfs/dbraw/zinc/57/79/60/387577960.db2.gz ULQJASMYBHQHIZ-UHFFFAOYSA-N 0 0 247.298 2.543 50 0 BFAARN Nc1cc2cc(-c3ccncc3F)ccc2cn1 ZINC000426518778 387578198 /nfs/dbraw/zinc/57/81/98/387578198.db2.gz LELAKYKWEJGZSX-UHFFFAOYSA-N 0 0 239.253 2.848 50 0 BFAARN O=C(c1ccoc1)N1CC[C@H](c2ccccc2)C1 ZINC000121579766 387632365 /nfs/dbraw/zinc/63/23/65/387632365.db2.gz BPVBAEFUTDGHGF-ZDUSSCGKSA-N 0 0 241.290 2.909 50 0 BFAARN CSc1ccccc1Nc1cc(C)nc(N)n1 ZINC000072436884 387654463 /nfs/dbraw/zinc/65/44/63/387654463.db2.gz SRSIUZIJKGYFOA-UHFFFAOYSA-N 0 0 246.339 2.833 50 0 BFAARN Cc1cc(C)cc(C2N=NC(=S)O2)c1 ZINC000005960116 177889437 /nfs/dbraw/zinc/88/94/37/177889437.db2.gz KJGDENXYYRACQD-UHFFFAOYSA-N 0 0 206.270 2.642 50 0 BFAARN Cc1cc(C)cc(C(=O)c2cccnc2)c1 ZINC000037745990 177895835 /nfs/dbraw/zinc/89/58/35/177895835.db2.gz BWPJGEGIXTWCQV-UHFFFAOYSA-N 0 0 211.264 2.929 50 0 BFAARN Fc1ccc(NCc2nccs2)cc1 ZINC000049814188 387788389 /nfs/dbraw/zinc/78/83/89/387788389.db2.gz KMFOZHCJWQFMBS-UHFFFAOYSA-N 0 0 208.261 2.894 50 0 BFAARN CCc1cccc(NC(=O)c2cnoc2C)c1 ZINC000000385573 387797082 /nfs/dbraw/zinc/79/70/82/387797082.db2.gz YPGTVRHSCZFVGK-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN CC(C)CCNC(=O)CCc1cccs1 ZINC000036140564 387757233 /nfs/dbraw/zinc/75/72/33/387757233.db2.gz HORDRIWPBCTQMF-UHFFFAOYSA-N 0 0 225.357 2.843 50 0 BFAARN CCOCCOc1cccc(Br)c1 ZINC000034361461 387847038 /nfs/dbraw/zinc/84/70/38/387847038.db2.gz FNSGRVBRWKODOK-UHFFFAOYSA-N 0 0 245.116 2.864 50 0 BFAARN Cc1noc(C(=O)N2CCC(C)CC2)c1Cl ZINC000006738100 387847257 /nfs/dbraw/zinc/84/72/57/387847257.db2.gz NHQWAJRMSFETFB-UHFFFAOYSA-N 0 0 242.706 2.509 50 0 BFAARN COC(=O)[C@H]1Cc2ccccc2C(C)(C)C1 ZINC000036449039 387875039 /nfs/dbraw/zinc/87/50/39/387875039.db2.gz SGGXRLXCTLDTGT-NSHDSACASA-N 0 0 218.296 2.700 50 0 BFAARN Cc1cc(C)c(CC2OCCO2)c(C)c1 ZINC000043214481 177855716 /nfs/dbraw/zinc/85/57/16/177855716.db2.gz IXJBBXJJGDQQHV-UHFFFAOYSA-N 0 0 206.285 2.527 50 0 BFAARN Cc1cc(C)[n+](-c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000002351374 177833992 /nfs/dbraw/zinc/83/39/92/177833992.db2.gz DKZLQGKDLMUQQQ-UHFFFAOYSA-O 0 0 242.298 2.587 50 0 BFAARN Cc1cc(C(N)=O)c2cc(C(C)C)ccc2n1 ZINC000064553276 177831476 /nfs/dbraw/zinc/83/14/76/177831476.db2.gz WUMZQQDHELZVIF-UHFFFAOYSA-N 0 0 228.295 2.766 50 0 BFAARN Fc1ccc(Cl)c(O[C@H]2CCOC2)c1 ZINC000306187047 388023078 /nfs/dbraw/zinc/02/30/78/388023078.db2.gz NRDPLHGSNZBOQE-QMMMGPOBSA-N 0 0 216.639 2.647 50 0 BFAARN CCCc1noc([C@@H](C)N2CCCCC2)n1 ZINC000065564640 388084665 /nfs/dbraw/zinc/08/46/65/388084665.db2.gz PXHMMPAPFUQQLE-SNVBAGLBSA-N 0 0 223.320 2.569 50 0 BFAARN Cc1ccoc1-c1nnc(CN2CCCCC2)o1 ZINC000065578912 388095823 /nfs/dbraw/zinc/09/58/23/388095823.db2.gz MDVQZAQRWILIBE-UHFFFAOYSA-N 0 0 247.298 2.624 50 0 BFAARN O=C(Nc1nccs1)NC1CCCCCC1 ZINC000042738549 388111562 /nfs/dbraw/zinc/11/15/62/388111562.db2.gz FBSZGELAMUEGTF-UHFFFAOYSA-N 0 0 239.344 2.987 50 0 BFAARN Cc1cc(C(=O)NC2CCCCCCC2)no1 ZINC000013329548 177775672 /nfs/dbraw/zinc/77/56/72/177775672.db2.gz KOAPHKRZCRKOLK-UHFFFAOYSA-N 0 0 236.315 2.826 50 0 BFAARN C[C@@H](NC(=O)NC1CCCCC1)c1cccnc1 ZINC000013331939 388130136 /nfs/dbraw/zinc/13/01/36/388130136.db2.gz HSEWSFAEFIZFLI-LLVKDONJSA-N 0 0 247.342 2.775 50 0 BFAARN Cc1cc(C(=O)C(F)(F)F)ccc1F ZINC000002378588 256510991 /nfs/dbraw/zinc/51/09/91/256510991.db2.gz LXYZEMSITQZCRP-UHFFFAOYSA-N 0 0 206.138 2.879 50 0 BFAARN Cc1nc(C(=O)Nc2ccc(C)cc2F)c(C)o1 ZINC000065293395 388256138 /nfs/dbraw/zinc/25/61/38/388256138.db2.gz FRXFNNDZMCYMAK-UHFFFAOYSA-N 0 0 248.257 2.991 50 0 BFAARN Cc1cc(C(=O)N2c3ccccc3C[C@@H]2C)on1 ZINC000036697998 388257019 /nfs/dbraw/zinc/25/70/19/388257019.db2.gz LSVCYSNNHWCCBQ-JTQLQIEISA-N 0 0 242.278 2.574 50 0 BFAARN Nc1nnc(SCC2CCCCC2)s1 ZINC000007535998 388257307 /nfs/dbraw/zinc/25/73/07/388257307.db2.gz QUHSEFYORTZNQE-UHFFFAOYSA-N 0 0 229.374 2.793 50 0 BFAARN O=C(Nc1cccs1)N1CC=CCC1 ZINC000238825784 388257620 /nfs/dbraw/zinc/25/76/20/388257620.db2.gz DSEADCISHGBGJB-UHFFFAOYSA-N 0 0 208.286 2.542 50 0 BFAARN CC(C)c1nccc(N[C@@H]2CCCC[C@H]2CO)n1 ZINC000170615828 388257895 /nfs/dbraw/zinc/25/78/95/388257895.db2.gz YXTGIFNSLYBOLG-NWDGAFQWSA-N 0 0 249.358 2.563 50 0 BFAARN CC(C)c1nnc(SC[Si](C)(C)C)n1C ZINC000170621457 388258876 /nfs/dbraw/zinc/25/88/76/388258876.db2.gz KRLDNLBOTVXJMS-UHFFFAOYSA-N 0 0 243.452 2.908 50 0 BFAARN Cc1nsc(NCC[Si](C)(C)C)n1 ZINC000170619607 388258991 /nfs/dbraw/zinc/25/89/91/388258991.db2.gz BGZFRUZSKQCBBM-UHFFFAOYSA-N 0 0 215.398 2.597 50 0 BFAARN CC[S@](=O)Cc1cccc(Br)c1 ZINC000170592914 388239252 /nfs/dbraw/zinc/23/92/52/388239252.db2.gz SBLBEKUMCAXMLL-LBPRGKRZSA-N 0 0 247.157 2.718 50 0 BFAARN CCc1nc(C)c(CNc2ccc(C)cn2)o1 ZINC000382515125 388267395 /nfs/dbraw/zinc/26/73/95/388267395.db2.gz TVCRJXVIUUGTTG-UHFFFAOYSA-N 0 0 231.299 2.861 50 0 BFAARN CNc1nc(-c2ccccc2)c(NC(C)=O)s1 ZINC000028405573 388345139 /nfs/dbraw/zinc/34/51/39/388345139.db2.gz SZRLQONBZZEQGV-UHFFFAOYSA-N 0 0 247.323 2.810 50 0 BFAARN CC(C)CC[N@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000230043592 388349631 /nfs/dbraw/zinc/34/96/31/388349631.db2.gz NYJQTXUOIFWYGX-AVGNSLFASA-N 0 0 239.359 2.750 50 0 BFAARN CCS[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000089603057 388353884 /nfs/dbraw/zinc/35/38/84/388353884.db2.gz JTYBYUPFYVVKIX-ZDUSSCGKSA-N 0 0 249.379 2.931 50 0 BFAARN CCS[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000089603056 388354165 /nfs/dbraw/zinc/35/41/65/388354165.db2.gz JTYBYUPFYVVKIX-CYBMUJFWSA-N 0 0 249.379 2.931 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)NCCC1=CCCCC1 ZINC000057287874 388356736 /nfs/dbraw/zinc/35/67/36/388356736.db2.gz LEASRAUSZBWTPU-ZYHUDNBSSA-N 0 0 207.317 2.649 50 0 BFAARN O=C(C1CCC1)N1CC[C@H](c2ccccc2)C1 ZINC000038566851 388404892 /nfs/dbraw/zinc/40/48/92/388404892.db2.gz NSOIUWZLJRXMQU-AWEZNQCLSA-N 0 0 229.323 2.803 50 0 BFAARN FC(F)(F)c1cccc(Nc2nc[nH]n2)c1 ZINC000003028750 388360923 /nfs/dbraw/zinc/36/09/23/388360923.db2.gz HVENNWUONZHZDN-UHFFFAOYSA-N 0 0 228.177 2.567 50 0 BFAARN O=C(CCn1ccnc1)c1cc2ccccc2o1 ZINC000089873052 388369017 /nfs/dbraw/zinc/36/90/17/388369017.db2.gz BWKREZFEUNXBME-UHFFFAOYSA-N 0 0 240.262 2.902 50 0 BFAARN Cc1ccc(C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000003228072 388369820 /nfs/dbraw/zinc/36/98/20/388369820.db2.gz DTKKFXFWMINJRJ-UHFFFAOYSA-N 0 0 234.295 2.767 50 0 BFAARN COCCn1c(C)csc1=Nc1ccccc1 ZINC000254820006 388369996 /nfs/dbraw/zinc/36/99/96/388369996.db2.gz QQNPZRJMOAHNSA-UHFFFAOYSA-N 0 0 248.351 2.737 50 0 BFAARN CC(C)c1ccn(Cc2noc(C(C)C)n2)n1 ZINC000089893494 388370319 /nfs/dbraw/zinc/37/03/19/388370319.db2.gz WKGZHNUILIGMRM-UHFFFAOYSA-N 0 0 234.303 2.561 50 0 BFAARN CCCCCNC(=O)N1CC=C(C)CC1 ZINC000089953450 388376262 /nfs/dbraw/zinc/37/62/62/388376262.db2.gz YVKPRMXPYFIVJM-UHFFFAOYSA-N 0 0 210.321 2.538 50 0 BFAARN Cc1cc(C)c(C[N@@H+]2CCC[C@H]2C(=O)[O-])c(C)c1 ZINC000003748086 388386804 /nfs/dbraw/zinc/38/68/04/388386804.db2.gz CGZSNWCOOIUJFK-AWEZNQCLSA-N 0 0 247.338 2.661 50 0 BFAARN CC(C)(C)n1cc(NCc2ccncc2)cn1 ZINC000090198544 388395567 /nfs/dbraw/zinc/39/55/67/388395567.db2.gz JOIMZSGPSSCZLY-UHFFFAOYSA-N 0 0 230.315 2.645 50 0 BFAARN CC(C)c1csc(NC(=O)c2ccccn2)n1 ZINC000070816655 388440094 /nfs/dbraw/zinc/44/00/94/388440094.db2.gz WYNFZUKWVPJIPX-UHFFFAOYSA-N 0 0 247.323 2.914 50 0 BFAARN Cc1noc(CN2CCC[C@@H]2c2cccs2)n1 ZINC000042355918 388443608 /nfs/dbraw/zinc/44/36/08/388443608.db2.gz BZMDKGHYLYJOHY-SNVBAGLBSA-N 0 0 249.339 2.777 50 0 BFAARN Cc1cc(C(=O)N[C@H](C)c2cccc(F)c2)no1 ZINC000042672367 388444716 /nfs/dbraw/zinc/44/47/16/388444716.db2.gz LJIPJGRPHIWGAZ-SECBINFHSA-N 0 0 248.257 2.613 50 0 BFAARN CC(C)CCCNC(=O)[C@@H]1CC=CCC1 ZINC000071800823 388446684 /nfs/dbraw/zinc/44/66/84/388446684.db2.gz LAECIEFPDXNCQG-GFCCVEGCSA-N 0 0 209.333 2.895 50 0 BFAARN c1nc(-c2csc3ccccc23)n[nH]1 ZINC000067966125 388408407 /nfs/dbraw/zinc/40/84/07/388408407.db2.gz MVGDYXZPKAJQNF-UHFFFAOYSA-N 0 0 201.254 2.686 50 0 BFAARN CCc1ccccc1NC(=O)CSC ZINC000000149895 388414295 /nfs/dbraw/zinc/41/42/95/388414295.db2.gz OATHXQSBIWSWCJ-UHFFFAOYSA-N 0 0 209.314 2.551 50 0 BFAARN Cc1nc(C(=O)OCc2ccccc2)cs1 ZINC000069312581 388414541 /nfs/dbraw/zinc/41/45/41/388414541.db2.gz WTELSUMLAYYAED-UHFFFAOYSA-N 0 0 233.292 2.809 50 0 BFAARN CC(C)C(=O)NCCCSc1ccccc1 ZINC000040458936 388416254 /nfs/dbraw/zinc/41/62/54/388416254.db2.gz IHHIDISTKIZXKF-UHFFFAOYSA-N 0 0 237.368 2.941 50 0 BFAARN O=C(C1CCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000040462017 388416922 /nfs/dbraw/zinc/41/69/22/388416922.db2.gz DHKLTQFWDJEOMD-VIFPVBQESA-N 0 0 235.249 2.587 50 0 BFAARN Cc1cc(Br)cnc1OC(C)C ZINC000090413420 388417671 /nfs/dbraw/zinc/41/76/71/388417671.db2.gz FKPBYAWGLOPFDQ-UHFFFAOYSA-N 0 0 230.105 2.940 50 0 BFAARN CCN(CC)Cc1nccn1Cc1ccccc1 ZINC000069492409 388418051 /nfs/dbraw/zinc/41/80/51/388418051.db2.gz YKBFHCKGLKBWMA-UHFFFAOYSA-N 0 0 243.354 2.773 50 0 BFAARN Cc1noc(OCc2ccc(Cl)cc2)n1 ZINC000069620105 388422266 /nfs/dbraw/zinc/42/22/66/388422266.db2.gz JZXBNOCEOLWEJC-UHFFFAOYSA-N 0 0 224.647 2.610 50 0 BFAARN COC(C)(C)C[C@@H](C)NC(=O)c1ccc(C)o1 ZINC000173815303 388430556 /nfs/dbraw/zinc/43/05/56/388430556.db2.gz MDKXWTZDEKGTKJ-SECBINFHSA-N 0 0 239.315 2.521 50 0 BFAARN COC(C)(C)C[C@H](C)NC(=O)c1ccccc1C ZINC000173815825 388430827 /nfs/dbraw/zinc/43/08/27/388430827.db2.gz JQOFAWIPXIBANX-LBPRGKRZSA-N 0 0 249.354 2.928 50 0 BFAARN Cc1cc(C(=O)N(CCC(C)C)C2CC2)no1 ZINC000042767629 177744708 /nfs/dbraw/zinc/74/47/08/177744708.db2.gz WUBADYCVAKCEAL-UHFFFAOYSA-N 0 0 236.315 2.634 50 0 BFAARN CCOCSc1nc(C)c(C)s1 ZINC000195562344 388483848 /nfs/dbraw/zinc/48/38/48/388483848.db2.gz VDKHWALDYYQGAN-UHFFFAOYSA-N 0 0 203.332 2.846 50 0 BFAARN CCc1[nH]nc(NC(=O)c2cscc2C)c1C ZINC000079094858 388524555 /nfs/dbraw/zinc/52/45/55/388524555.db2.gz SMNZWTYXJVFWGA-UHFFFAOYSA-N 0 0 249.339 2.903 50 0 BFAARN CC(=O)NC1c2ccccc2-c2ccccc21 ZINC000000395878 388586160 /nfs/dbraw/zinc/58/61/60/388586160.db2.gz VQFOESRCDRTBKL-UHFFFAOYSA-N 0 0 223.275 2.893 50 0 BFAARN Nc1nc2c(s1)c(Br)ccc2F ZINC000015442792 388591575 /nfs/dbraw/zinc/59/15/75/388591575.db2.gz LWIGNCTXUWWDDC-UHFFFAOYSA-N 0 0 247.092 2.780 50 0 BFAARN O=C1c2ccccc2CN1Cc1ccccc1 ZINC000001399926 388573032 /nfs/dbraw/zinc/57/30/32/388573032.db2.gz SCSQXWFIZNVBID-UHFFFAOYSA-N 0 0 223.275 2.843 50 0 BFAARN CCOC(=O)/C=C/c1ccc(F)cc1F ZINC000002383966 388675310 /nfs/dbraw/zinc/67/53/10/388675310.db2.gz CIDYGTPEQJOLBL-GQCTYLIASA-N 0 0 212.195 2.541 50 0 BFAARN Cc1cc(-c2nc3c(cccc3C)[nH]2)n(C)n1 ZINC000055212166 388680536 /nfs/dbraw/zinc/68/05/36/388680536.db2.gz XKDCSDXECUEDIQ-UHFFFAOYSA-N 0 0 226.283 2.580 50 0 BFAARN O=C(c1ccc[nH]1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114434787 388681390 /nfs/dbraw/zinc/68/13/90/388681390.db2.gz DCJGBNVBOKZDNH-HNNXBMFYSA-N 0 0 244.338 2.977 50 0 BFAARN C[C@H](NC(=O)CC(C)(C)C)c1cccnc1 ZINC000054458909 388623945 /nfs/dbraw/zinc/62/39/45/388623945.db2.gz CKGQJAWBNHSLOR-JTQLQIEISA-N 0 0 220.316 2.695 50 0 BFAARN Cc1cc(C)c(C(=O)N2C[C@H]3CCC[C@@H]3C2)[nH]1 ZINC000089568583 388737756 /nfs/dbraw/zinc/73/77/56/388737756.db2.gz MDVSEXXHKZAOHL-VXGBXAGGSA-N 0 0 232.327 2.504 50 0 BFAARN Cc1cscc1C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000089708882 388739380 /nfs/dbraw/zinc/73/93/80/388739380.db2.gz AYPOOWFLIWYPRZ-PHIMTYICSA-N 0 0 235.352 2.929 50 0 BFAARN FC(F)(F)c1cccc(CN2CCOCC2)c1 ZINC000019634274 388744439 /nfs/dbraw/zinc/74/44/39/388744439.db2.gz WRPBJSMGRMPPRB-UHFFFAOYSA-N 0 0 245.244 2.538 50 0 BFAARN CC[C@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000037400537 388751731 /nfs/dbraw/zinc/75/17/31/388751731.db2.gz BHXZRKIEMZFBNT-QMMMGPOBSA-N 0 0 232.283 2.848 50 0 BFAARN CC[C@H]1C[N@H+](CC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000225453938 388701314 /nfs/dbraw/zinc/70/13/14/388701314.db2.gz HQJYPIKIQDVROW-JSGCOSHPSA-N 0 0 247.338 2.587 50 0 BFAARN C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCC(=O)[O-] ZINC000116402600 388709487 /nfs/dbraw/zinc/70/94/87/388709487.db2.gz ONVKAZCNWPJCEK-TZMCWYRMSA-N 0 0 247.338 2.729 50 0 BFAARN O=C(C1CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000012953331 388725300 /nfs/dbraw/zinc/72/53/00/388725300.db2.gz JEEWWSZOQQMYRG-JQWIXIFHSA-N 0 0 207.317 2.578 50 0 BFAARN CCCc1nnc(NCc2ccccc2OC)o1 ZINC000095990041 388802052 /nfs/dbraw/zinc/80/20/52/388802052.db2.gz XAZGCAUURLWAHM-UHFFFAOYSA-N 0 0 247.298 2.643 50 0 BFAARN CCCc1csc(Nc2cnn(C)c2)n1 ZINC000095399459 388765477 /nfs/dbraw/zinc/76/54/77/388765477.db2.gz PIMZKUHEACLWHL-UHFFFAOYSA-N 0 0 222.317 2.573 50 0 BFAARN c1ccc(NCCNc2ccccn2)cc1 ZINC000095398952 388766298 /nfs/dbraw/zinc/76/62/98/388766298.db2.gz PXECQVDVECCLCB-UHFFFAOYSA-N 0 0 213.284 2.606 50 0 BFAARN CCc1ccc(CNC(C)(C)c2cnn(C)c2)o1 ZINC000095415513 388767074 /nfs/dbraw/zinc/76/70/74/388767074.db2.gz YSVIKBGMDNHNSD-UHFFFAOYSA-N 0 0 247.342 2.600 50 0 BFAARN COC[C@@H](C)Nc1ccnc2ccsc21 ZINC000095407704 388767337 /nfs/dbraw/zinc/76/73/37/388767337.db2.gz SOKDHFIZQJACAD-MRVPVSSYSA-N 0 0 222.313 2.743 50 0 BFAARN CCCc1nnc(S[C@H](C)C(F)(F)F)[nH]1 ZINC000095427351 388769036 /nfs/dbraw/zinc/76/90/36/388769036.db2.gz VIMLJEZHQAARMR-RXMQYKEDSA-N 0 0 239.266 2.800 50 0 BFAARN Cc1cncc(C(=O)OCc2cccs2)c1 ZINC000095426578 388769708 /nfs/dbraw/zinc/76/97/08/388769708.db2.gz KGEGXHYCBZULMI-UHFFFAOYSA-N 0 0 233.292 2.809 50 0 BFAARN CC(C)c1cc(N(C)Cc2cccnc2)n[nH]1 ZINC000095432180 388771463 /nfs/dbraw/zinc/77/14/63/388771463.db2.gz ANYDVQFIRGSLLI-UHFFFAOYSA-N 0 0 230.315 2.565 50 0 BFAARN CCc1cccc(C)c1NC(=O)N(C)C ZINC000000397282 388812754 /nfs/dbraw/zinc/81/27/54/388812754.db2.gz YELRYOUMQUCMHV-UHFFFAOYSA-N 0 0 206.289 2.651 50 0 BFAARN CCCn1cc(NC(=O)/C=C/c2ccco2)cn1 ZINC000080728596 388779188 /nfs/dbraw/zinc/77/91/88/388779188.db2.gz IMOFJGWJTHJBNE-AATRIKPKSA-N 0 0 245.282 2.538 50 0 BFAARN Cc1ccc(C=NNc2ccccn2)s1 ZINC000254484545 388781658 /nfs/dbraw/zinc/78/16/58/388781658.db2.gz FIUOGEOQFLPJCI-UHFFFAOYSA-N 0 0 217.297 2.898 50 0 BFAARN CN(Cc1c[nH]cn1)Cc1ccc(Cl)s1 ZINC000280359019 388782146 /nfs/dbraw/zinc/78/21/46/388782146.db2.gz CRZYNXPHQPHLOT-UHFFFAOYSA-N 0 0 241.747 2.757 50 0 BFAARN Cc1ccc(NC(=O)C[C@@H](C)n2cccn2)cc1 ZINC000020991013 388790421 /nfs/dbraw/zinc/79/04/21/388790421.db2.gz DVURJQOBEPKPMM-GFCCVEGCSA-N 0 0 243.310 2.781 50 0 BFAARN c1[nH]nc2c1CCc1c3ccccc3[nH]c1-2 ZINC000096308815 388815036 /nfs/dbraw/zinc/81/50/36/388815036.db2.gz WQSHEPAFFTVLAP-UHFFFAOYSA-N 0 0 209.252 2.657 50 0 BFAARN COc1cc(F)ccc1N(C)Cc1cccnc1 ZINC000096415736 388818384 /nfs/dbraw/zinc/81/83/84/388818384.db2.gz XVYACIKDYJEEGT-UHFFFAOYSA-N 0 0 246.285 2.866 50 0 BFAARN CC(C)CC(=O)NC/C=C\c1ccccc1 ZINC000096457128 388819892 /nfs/dbraw/zinc/81/98/92/388819892.db2.gz SRWXKGYHSUPHOE-TWGQIWQCSA-N 0 0 217.312 2.862 50 0 BFAARN CCOC(=O)/C=C\c1ccc(NC(=O)CC)cc1 ZINC000096926084 388827867 /nfs/dbraw/zinc/82/78/67/388827867.db2.gz MLSCLKJEQWWMLY-YFHOEESVSA-N 0 0 247.294 2.611 50 0 BFAARN CCCCNC(=O)Nc1ccc(C)cc1 ZINC000001704434 388830814 /nfs/dbraw/zinc/83/08/14/388830814.db2.gz JFYNDZSUPRRXEA-UHFFFAOYSA-N 0 0 206.289 2.917 50 0 BFAARN Cc1cc(-c2cc3ccccc3o2)nc(N)n1 ZINC000032573354 177681643 /nfs/dbraw/zinc/68/16/43/177681643.db2.gz PLDJRRYBVGIMJF-UHFFFAOYSA-N 0 0 225.251 2.780 50 0 BFAARN CC1=CC(C)(C)NC(=O)N1c1ccccc1 ZINC000016680220 132293124 /nfs/dbraw/zinc/29/31/24/132293124.db2.gz FOSLNMGBIYWUKX-UHFFFAOYSA-N 0 0 216.284 2.899 50 0 BFAARN CC1=CC(C)(C)N(C)c2cc(O)c(C=O)cc21 ZINC000253496019 132233699 /nfs/dbraw/zinc/23/36/99/132233699.db2.gz ZBHLTFSBHHLHSJ-UHFFFAOYSA-N 0 0 231.295 2.836 50 0 BFAARN c1csc(C2=CCN(c3ncccn3)CC2)c1 ZINC000301293806 132252680 /nfs/dbraw/zinc/25/26/80/132252680.db2.gz QPLNSHDPPOILSL-UHFFFAOYSA-N 0 0 243.335 2.832 50 0 BFAARN O=C1COc2ccccc2N1Cc1ccccc1 ZINC000000088437 132312506 /nfs/dbraw/zinc/31/25/06/132312506.db2.gz VHTLTHHJLPLDOK-UHFFFAOYSA-N 0 0 239.274 2.612 50 0 BFAARN CC(C)CN1CCCc2cc(C=O)ccc21 ZINC000001390496 132314018 /nfs/dbraw/zinc/31/40/18/132314018.db2.gz GIDPODBYJWFZOV-UHFFFAOYSA-N 0 0 217.312 2.908 50 0 BFAARN C[C@@H]1CCCN(c2ccc(F)cc2N)C1 ZINC000004417985 132316752 /nfs/dbraw/zinc/31/67/52/132316752.db2.gz MXHWGHJBQPQAJS-SECBINFHSA-N 0 0 208.280 2.644 50 0 BFAARN Cc1ccc(N2CCC(C)CC2)c(N)c1 ZINC000008702592 132319241 /nfs/dbraw/zinc/31/92/41/132319241.db2.gz VOBHHJBUKYXVQS-UHFFFAOYSA-N 0 0 204.317 2.814 50 0 BFAARN CCOC(=O)c1ccc(N2CCCCC2)cc1 ZINC000012396243 132321467 /nfs/dbraw/zinc/32/14/67/132321467.db2.gz FBLWXQXFSIWABA-UHFFFAOYSA-N 0 0 233.311 2.854 50 0 BFAARN CC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000019870989 132328144 /nfs/dbraw/zinc/32/81/44/132328144.db2.gz BHKSEAKLXNVZNY-PHIMTYICSA-N 0 0 233.311 2.503 50 0 BFAARN C[C@@H]1CCCN(c2ccc(N)cc2F)C1 ZINC000020135720 132330061 /nfs/dbraw/zinc/33/00/61/132330061.db2.gz WOKGGVUHTIXNEK-SECBINFHSA-N 0 0 208.280 2.644 50 0 BFAARN COc1ccc2c(c1)CCCN2C(=O)C(C)C ZINC000032848569 132335602 /nfs/dbraw/zinc/33/56/02/132335602.db2.gz IPZRHULEKLICAB-UHFFFAOYSA-N 0 0 233.311 2.630 50 0 BFAARN CC(=O)[C@@H](C)N1CCCc2cc(C)ccc21 ZINC000035036683 132337250 /nfs/dbraw/zinc/33/72/50/132337250.db2.gz XUCXDXDMAURJCM-LLVKDONJSA-N 0 0 217.312 2.725 50 0 BFAARN O=C(CC1CCCC1)N1CCCc2ncccc21 ZINC000069347653 132390451 /nfs/dbraw/zinc/39/04/51/132390451.db2.gz WSWKJDAQIQAZFW-UHFFFAOYSA-N 0 0 244.338 2.941 50 0 BFAARN O=C(C1CCCC1)N1CCCc2ncccc21 ZINC000069439536 132390634 /nfs/dbraw/zinc/39/06/34/132390634.db2.gz VSJUTCJJPCJQMQ-UHFFFAOYSA-N 0 0 230.311 2.551 50 0 BFAARN O=C(NCCCOCC1CC1)Nc1ccccc1 ZINC000014187447 133451030 /nfs/dbraw/zinc/45/10/30/133451030.db2.gz MTWYRGMNQOYSNM-UHFFFAOYSA-N 0 0 248.326 2.625 50 0 BFAARN O=C(Nc1ccsc1)[C@H]1C[C@@H]1C(F)F ZINC000335922938 134007840 /nfs/dbraw/zinc/00/78/40/134007840.db2.gz GWPOBZTWYUVJFB-BQBZGAKWSA-N 0 0 217.240 2.588 50 0 BFAARN C[C@@H](c1ccccn1)N(C)C(=O)NCC1CCC1 ZINC000068397781 134398845 /nfs/dbraw/zinc/39/88/45/134398845.db2.gz RDVDUQUECBEBHQ-NSHDSACASA-N 0 0 247.342 2.584 50 0 BFAARN CC(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000060340625 134792535 /nfs/dbraw/zinc/79/25/35/134792535.db2.gz GUUAUUAVELZJGH-UHFFFAOYSA-N 0 0 245.307 2.586 50 0 BFAARN CC(C)COc1ccc2oc(=O)[nH]c2c1 ZINC000408525099 134809934 /nfs/dbraw/zinc/80/99/34/134809934.db2.gz KQVHOTZWDRUYLL-UHFFFAOYSA-N 0 0 207.229 2.568 50 0 BFAARN Cn1cccc1[C@H]1COCCN1[C@@H]1C=CCCC1 ZINC000249087371 135031794 /nfs/dbraw/zinc/03/17/94/135031794.db2.gz CGVCALGOFTZFEH-UKRRQHHQSA-N 0 0 246.354 2.507 50 0 BFAARN C(=C\C1=Cc2ccccc2OC1)\c1ccncn1 ZINC000255840954 135130766 /nfs/dbraw/zinc/13/07/66/135130766.db2.gz CZOAYVNXGHDXGK-WAYWQWQTSA-N 0 0 236.274 2.966 50 0 BFAARN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](CCC2CCCC2)C1 ZINC000263344238 135347881 /nfs/dbraw/zinc/34/78/81/135347881.db2.gz OEESEFVVLGMYCO-DGCLKSJQSA-N 0 0 239.359 2.609 50 0 BFAARN Cc1noc(C)c1NC(=O)c1ccccc1 ZINC000084025574 135463894 /nfs/dbraw/zinc/46/38/94/135463894.db2.gz NANAXVHFHCDKSQ-UHFFFAOYSA-N 0 0 216.240 2.544 50 0 BFAARN Cc1cc(C(=O)N[C@H]2CC[C@@H](F)C2)c(C)o1 ZINC000334515028 135595509 /nfs/dbraw/zinc/59/55/09/135595509.db2.gz DANZOXLFZVOYRZ-ZJUUUORDSA-N 0 0 225.263 2.517 50 0 BFAARN Cc1cc(F)ccc1C(=O)Nc1ccncc1F ZINC000095979526 135626329 /nfs/dbraw/zinc/62/63/29/135626329.db2.gz JLJGPVVCGKBYIE-UHFFFAOYSA-N 0 0 248.232 2.921 50 0 BFAARN CC(C)CN(C(=O)Cc1cccs1)C1CC1 ZINC000097138584 166924844 /nfs/dbraw/zinc/92/48/44/166924844.db2.gz UJHGKTDNQHMMJJ-UHFFFAOYSA-N 0 0 237.368 2.938 50 0 BFAARN CCCCOc1ccc2ccc(=O)oc2c1 ZINC000002950199 397782080 /nfs/dbraw/zinc/78/20/80/397782080.db2.gz BDOGTORASJEUBW-UHFFFAOYSA-N 0 0 218.252 2.972 50 0 biogenic,in-vivo BFAARN O=Cc1cccc(-c2ccc(F)cc2)n1 ZINC000020443243 397964953 /nfs/dbraw/zinc/96/49/53/397964953.db2.gz WVQIFQHRRHZIGZ-UHFFFAOYSA-N 0 0 201.200 2.700 50 0 BFAARN CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000020490575 397910287 /nfs/dbraw/zinc/91/02/87/397910287.db2.gz YEZMVKXWLNSARK-CYBMUJFWSA-N 0 0 205.301 2.910 50 0 BFAARN O=C1CC=C(c2ccc(Br)cc2)O1 ZINC000000432637 397914665 /nfs/dbraw/zinc/91/46/65/397914665.db2.gz YXZHMBVOSLIGNF-UHFFFAOYSA-N 0 0 239.068 2.737 50 0 BFAARN C[C@@H](NC(=O)C1CCCCC1)c1ccccn1 ZINC000028781144 397991497 /nfs/dbraw/zinc/99/14/97/397991497.db2.gz WPEPSHQLSXSEMO-LLVKDONJSA-N 0 0 232.327 2.839 50 0 BFAARN CN(Cc1ccccc1)c1ccc(Cl)nn1 ZINC000036047697 398020794 /nfs/dbraw/zinc/02/07/94/398020794.db2.gz COMNEAHRVDUXCV-UHFFFAOYSA-N 0 0 233.702 2.766 50 0 BFAARN O=C(C=C(C1CC1)C1CC1)Nc1cccnc1 ZINC000048667163 398028727 /nfs/dbraw/zinc/02/87/27/398028727.db2.gz MEIXRJLYWZORGV-UHFFFAOYSA-N 0 0 228.295 2.767 50 0 BFAARN Cc1ccc(C)c(C(=O)NCCCOC(C)C)c1 ZINC000042236322 398030617 /nfs/dbraw/zinc/03/06/17/398030617.db2.gz ODBBPKGWXTXHQV-UHFFFAOYSA-N 0 0 249.354 2.848 50 0 BFAARN Nc1cc(C(=O)Nc2cccnc2)ccc1Cl ZINC000022141581 397972510 /nfs/dbraw/zinc/97/25/10/397972510.db2.gz VFZYHSZKYVRDDP-UHFFFAOYSA-N 0 0 247.685 2.570 50 0 BFAARN Cc1noc(-c2ccccc2NC(=O)C(C)C)n1 ZINC000022462961 397974395 /nfs/dbraw/zinc/97/43/95/397974395.db2.gz QDNQDUQNHRXRAN-UHFFFAOYSA-N 0 0 245.282 2.640 50 0 BFAARN CC(=O)c1ccc(-c2ccnc3[nH]ccc32)nc1 ZINC000072137173 397976364 /nfs/dbraw/zinc/97/63/64/397976364.db2.gz OKDIIRRJUZTNCS-UHFFFAOYSA-N 0 0 237.262 2.828 50 0 BFAARN CC(C)=CC(=O)NCC1(c2ccccc2)CC1 ZINC000022885294 397976660 /nfs/dbraw/zinc/97/66/60/397976660.db2.gz FHVDNJQMILCAPH-UHFFFAOYSA-N 0 0 229.323 2.801 50 0 BFAARN FC(F)(F)Oc1ccc2nsnc2c1 ZINC000065337097 398083404 /nfs/dbraw/zinc/08/34/04/398083404.db2.gz PMFZQWARKYEPDS-UHFFFAOYSA-N 0 0 220.175 2.590 50 0 BFAARN Cc1ccccc1CC(=O)Nc1ccncc1F ZINC000095975739 398089495 /nfs/dbraw/zinc/08/94/95/398089495.db2.gz DASRYEBFUCPOJW-UHFFFAOYSA-N 0 0 244.269 2.710 50 0 BFAARN COC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000008428153 398106071 /nfs/dbraw/zinc/10/60/71/398106071.db2.gz LPUOALQGDBWIGZ-UHFFFAOYSA-N 0 0 242.278 2.536 50 0 BFAARN CC(C)NC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000020538293 167075623 /nfs/dbraw/zinc/07/56/23/167075623.db2.gz IKTZCKINWDCUSW-VIFPVBQESA-N 0 0 224.279 2.594 50 0 BFAARN COCCCSC[C@@H]1CCC(C)(C)O1 ZINC000225436942 174259219 /nfs/dbraw/zinc/25/92/19/174259219.db2.gz XUHGYJQZNFMTEB-JTQLQIEISA-N 0 0 218.362 2.714 50 0 BFAARN C[C@@H](SCC1CCCC1)C(=O)NC1CC1 ZINC000095940641 176008285 /nfs/dbraw/zinc/00/82/85/176008285.db2.gz XNXWKEMSAZHDET-SECBINFHSA-N 0 0 227.373 2.577 50 0 BFAARN CC[C@@H](NC(=O)COC)C(C)(C)c1ccccc1 ZINC000096422442 409985093 /nfs/dbraw/zinc/98/50/93/409985093.db2.gz JERHATMKGNXFPP-CYBMUJFWSA-N 0 0 249.354 2.505 50 0 BFAARN c1ccc(OCc2noc(CC3CCC3)n2)cc1 ZINC000096435858 409985163 /nfs/dbraw/zinc/98/51/63/409985163.db2.gz PGIFUAUQDZZAMZ-UHFFFAOYSA-N 0 0 244.294 2.991 50 0 BFAARN CC(C)([NH3+])[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000085118195 322925487 /nfs/dbraw/zinc/92/54/87/322925487.db2.gz MEIXRUWEWJUTFS-JTQLQIEISA-N 0 0 241.718 2.636 50 0 BFAARN Cc1cc(C)nc(NC(=O)N(C)C2CCC2)c1 ZINC000097143105 410062056 /nfs/dbraw/zinc/06/20/56/410062056.db2.gz BKSTXRVGVAYEJE-UHFFFAOYSA-N 0 0 233.315 2.715 50 0 BFAARN Brc1ccc(C2=NCCS2)cc1 ZINC000019925115 166097062 /nfs/dbraw/zinc/09/70/62/166097062.db2.gz GQODWBBIGYWREA-UHFFFAOYSA-N 0 0 242.141 2.943 50 0 BFAARN Brc1ccc(C2=NOCC2)cc1 ZINC000149410957 166097268 /nfs/dbraw/zinc/09/72/68/166097268.db2.gz PJYQVQYRNVFRHE-UHFFFAOYSA-N 0 0 226.073 2.574 50 0 BFAARN Brc1ccc(OC2CC2)cc1 ZINC000065337339 166097381 /nfs/dbraw/zinc/09/73/81/166097381.db2.gz FOCLRODNGKLAOT-UHFFFAOYSA-N 0 0 213.074 2.990 50 0 BFAARN Brc1ccc(OCC2CC2)cn1 ZINC000091692826 166097705 /nfs/dbraw/zinc/09/77/05/166097705.db2.gz ACWHKQKLDSZRPM-UHFFFAOYSA-N 0 0 228.089 2.633 50 0 BFAARN Brc1ccc(-n2cccc2)nc1 ZINC000001036350 166097915 /nfs/dbraw/zinc/09/79/15/166097915.db2.gz FFSASABTRPXORW-UHFFFAOYSA-N 0 0 223.073 2.635 50 0 BFAARN Brc1ccc(SC[C@H]2CO2)cc1 ZINC000037381625 166100090 /nfs/dbraw/zinc/10/00/90/166100090.db2.gz YKAVUOZXTJFTQQ-MRVPVSSYSA-N 0 0 245.141 2.940 50 0 BFAARN Brc1cccc(-c2ncc[nH]2)c1 ZINC000037974129 166101510 /nfs/dbraw/zinc/10/15/10/166101510.db2.gz NVNCBJALMQWYAO-UHFFFAOYSA-N 0 0 223.073 2.839 50 0 BFAARN Brc1cccc(-c2ncccn2)c1 ZINC000016124749 166101760 /nfs/dbraw/zinc/10/17/60/166101760.db2.gz CETLQDSNTJEASI-UHFFFAOYSA-N 0 0 235.084 2.906 50 0 BFAARN Brc1cccc(-c2cn[nH]c2)c1 ZINC000001494965 166101815 /nfs/dbraw/zinc/10/18/15/166101815.db2.gz NWJALWCDYPLISV-UHFFFAOYSA-N 0 0 223.073 2.839 50 0 BFAARN Brc1cccc(Cn2cccn2)c1 ZINC000049600513 166102082 /nfs/dbraw/zinc/10/20/82/166102082.db2.gz RXAVSUHRVOXVKQ-UHFFFAOYSA-N 0 0 237.100 2.694 50 0 BFAARN Brc1ccnc(OCC2CC2)c1 ZINC000211527992 166102412 /nfs/dbraw/zinc/10/24/12/166102412.db2.gz XRQOGAJFCVMZSK-UHFFFAOYSA-N 0 0 228.089 2.633 50 0 BFAARN Brc1ccsc1C1OCCCO1 ZINC000000338727 166103150 /nfs/dbraw/zinc/10/31/50/166103150.db2.gz NYLUCQRECPXKJV-UHFFFAOYSA-N 0 0 249.129 2.946 50 0 BFAARN Brc1cccnc1OCC1CC1 ZINC000042376444 166103193 /nfs/dbraw/zinc/10/31/93/166103193.db2.gz RAPPABSFXUIOHQ-UHFFFAOYSA-N 0 0 228.089 2.633 50 0 BFAARN Brc1ccnc(Br)c1 ZINC000000330775 166103553 /nfs/dbraw/zinc/10/35/53/166103553.db2.gz PCMMSLVJMKQWMQ-UHFFFAOYSA-N 0 0 236.894 2.607 50 0 BFAARN Brc1cncnc1C1CCCC1 ZINC000015021317 166106431 /nfs/dbraw/zinc/10/64/31/166106431.db2.gz FKYAHCYSOLMPND-UHFFFAOYSA-N 0 0 227.105 2.897 50 0 BFAARN C(=C\c1ccccc1)\c1nc([C@H]2CCOC2)no1 ZINC000098019206 166228642 /nfs/dbraw/zinc/22/86/42/166228642.db2.gz YJMHLHZCCOGPPI-DGMVEKRQSA-N 0 0 242.278 2.744 50 0 BFAARN CC(=O)c1ccc(NCc2cc(C)on2)cc1 ZINC000058337189 166466579 /nfs/dbraw/zinc/46/65/79/166466579.db2.gz ZRDWJVHXJXTSTM-UHFFFAOYSA-N 0 0 230.267 2.798 50 0 BFAARN CC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000066325812 166472592 /nfs/dbraw/zinc/47/25/92/166472592.db2.gz YESSMNWGVXXGJB-UHFFFAOYSA-N 0 0 220.268 2.845 50 0 BFAARN CC(=O)c1sc2nc3c(cc2c1N)CCC3 ZINC000000087930 166493767 /nfs/dbraw/zinc/49/37/67/166493767.db2.gz QDTCBHNNRLSYJX-UHFFFAOYSA-N 0 0 232.308 2.570 50 0 BFAARN CC(C)(C)NC(=O)/C=C/c1ccccc1 ZINC000003161299 166611263 /nfs/dbraw/zinc/61/12/63/166611263.db2.gz DQEWVEDDMGKPDM-MDZDMXLPSA-N 0 0 203.285 2.615 50 0 BFAARN CC(C)(C)NC(=O)c1ccnc(C(C)(C)C)c1 ZINC000000347165 166628109 /nfs/dbraw/zinc/62/81/09/166628109.db2.gz IWIVGGIPEUXHQL-UHFFFAOYSA-N 0 0 234.343 2.907 50 0 BFAARN CC(C)(C)OC(=O)[C@@H]1CCCc2cccnc21 ZINC000095628793 166671741 /nfs/dbraw/zinc/67/17/41/166671741.db2.gz CDXNIYSYQPAXPX-LLVKDONJSA-N 0 0 233.311 2.843 50 0 BFAARN CC(C)(C)OC(=O)n1cc(CO)c2ccccc21 ZINC000002563741 166675646 /nfs/dbraw/zinc/67/56/46/166675646.db2.gz OOVPQKQFSDFRFA-UHFFFAOYSA-N 0 0 247.294 2.917 50 0 in-vitro BFAARN CC(C)C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000015589846 166732185 /nfs/dbraw/zinc/73/21/85/166732185.db2.gz FRULMTRWXILXCP-UHFFFAOYSA-N 0 0 246.314 2.607 50 0 BFAARN CC(C)C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000005856739 166732571 /nfs/dbraw/zinc/73/25/71/166732571.db2.gz KVWUCVYBTJZJPH-UHFFFAOYSA-N 0 0 247.323 2.800 50 0 BFAARN CC(C)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000015835971 166760732 /nfs/dbraw/zinc/76/07/32/166760732.db2.gz NNBPHUIRXYFCSJ-LLVKDONJSA-N 0 0 221.300 2.989 50 0 BFAARN CC(C)CCC[C@H]1CN(C(=O)C(C)C)CCO1 ZINC000067919768 166825061 /nfs/dbraw/zinc/82/50/61/166825061.db2.gz HBDARNUVIBVIGQ-ZDUSSCGKSA-N 0 0 241.375 2.696 50 0 BFAARN CC(C)CCNC(=O)c1cc(N)ccc1Cl ZINC000019385996 166856378 /nfs/dbraw/zinc/85/63/78/166856378.db2.gz PZLWOWRYNCBPQJ-UHFFFAOYSA-N 0 0 240.734 2.698 50 0 BFAARN CC(C)CN(C(=O)NCc1cccnc1)C(C)C ZINC000058210322 166925393 /nfs/dbraw/zinc/92/53/93/166925393.db2.gz WFRGIEVVTLMDOK-UHFFFAOYSA-N 0 0 249.358 2.658 50 0 BFAARN CSc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000040459579 410872624 /nfs/dbraw/zinc/87/26/24/410872624.db2.gz SZTZJDFWTXJRKO-UHFFFAOYSA-N 0 0 229.732 2.764 50 0 BFAARN CC(C)CN1c2ccc(Cl)cc2C(=O)C1=O ZINC000006883506 166963124 /nfs/dbraw/zinc/96/31/24/166963124.db2.gz IFFKSJMZCKKYDH-UHFFFAOYSA-N 0 0 237.686 2.525 50 0 BFAARN CC(C)CNC(=O)COc1ccc(C(C)C)cc1 ZINC000000859895 166985625 /nfs/dbraw/zinc/98/56/25/166985625.db2.gz PISNQFNLQWANLX-UHFFFAOYSA-N 0 0 249.354 2.961 50 0 BFAARN CC(C)CNC(=O)c1ccc2ccccc2n1 ZINC000005613880 166999404 /nfs/dbraw/zinc/99/94/04/166999404.db2.gz PNHPULFWCYSEIT-UHFFFAOYSA-N 0 0 228.295 2.621 50 0 BFAARN CC(C)C[NH2+][C@H](C(=O)[O-])c1c[nH]c2ccccc21 ZINC000012322439 167014031 /nfs/dbraw/zinc/01/40/31/167014031.db2.gz GZJPKAROFVPEOU-ZDUSSCGKSA-N 0 0 246.310 2.539 50 0 BFAARN CC(C)CNc1cccc(Cl)c1C(N)=O ZINC000079016980 167016435 /nfs/dbraw/zinc/01/64/35/167016435.db2.gz NPBWYAMGMSPZEO-UHFFFAOYSA-N 0 0 226.707 2.507 50 0 BFAARN CC(C)N1CC[C@H](SC2CCCC2)C1=O ZINC000089870028 167028343 /nfs/dbraw/zinc/02/83/43/167028343.db2.gz CKADDYJYAYCJKA-NSHDSACASA-N 0 0 227.373 2.672 50 0 BFAARN CC(C)N1c2ccc(C=O)cc2C[C@@H]1C ZINC000004998657 167034986 /nfs/dbraw/zinc/03/49/86/167034986.db2.gz NCDYVZCIBMESRD-JTQLQIEISA-N 0 0 203.285 2.659 50 0 BFAARN CC(C)NC(=O)/C=C/c1ccnc2ccccc12 ZINC000071910517 167037230 /nfs/dbraw/zinc/03/72/30/167037230.db2.gz DJMPOINKLAQHDF-BQYQJAHWSA-N 0 0 240.306 2.773 50 0 BFAARN CC(C)NC(=O)CCc1c[nH]c2ccccc12 ZINC000006650670 167046956 /nfs/dbraw/zinc/04/69/56/167046956.db2.gz NZCWVUDVZCXBFR-UHFFFAOYSA-N 0 0 230.311 2.625 50 0 BFAARN CC(C)NC(=O)N1CCC(c2ccccc2)CC1 ZINC000012984179 167067626 /nfs/dbraw/zinc/06/76/26/167067626.db2.gz PBGURYQPBKCFSV-UHFFFAOYSA-N 0 0 246.354 2.984 50 0 BFAARN CC(C)NC(=O)NCCc1cccc(Cl)c1 ZINC000032862593 167073188 /nfs/dbraw/zinc/07/31/88/167073188.db2.gz ALWSHCBEJJOELF-UHFFFAOYSA-N 0 0 240.734 2.590 50 0 BFAARN CC(C)NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000000579789 167082062 /nfs/dbraw/zinc/08/20/62/167082062.db2.gz OFNZPEMCADZALP-SECBINFHSA-N 0 0 241.718 2.632 50 0 BFAARN CC/C=C\COC(=O)c1cnc(C)s1 ZINC000103919695 410918305 /nfs/dbraw/zinc/91/83/05/410918305.db2.gz GVFRHVWRNKLCAC-PLNGDYQASA-N 0 0 211.286 2.575 50 0 BFAARN CC(C)OCc1ccc(O)c2ncccc12 ZINC000000282494 167270873 /nfs/dbraw/zinc/27/08/73/167270873.db2.gz SEHAKMLLHGQTSZ-UHFFFAOYSA-N 0 0 217.268 2.865 50 0 BFAARN CCC[C@@H]1Cc2c(sc3ncnc(N)c32)CO1 ZINC000000554681 410911474 /nfs/dbraw/zinc/91/14/74/410911474.db2.gz OGDJSFCPWSUYOZ-SSDOTTSWSA-N 0 0 249.339 2.515 50 0 BFAARN CC(C)Oc1cc(Br)ccc1O ZINC000095710677 167284293 /nfs/dbraw/zinc/28/42/93/167284293.db2.gz BXOYQPKNGGAODC-UHFFFAOYSA-N 0 0 231.089 2.942 50 0 BFAARN CC(C)Oc1cc(Cl)cc(O)c1F ZINC000261493981 167286617 /nfs/dbraw/zinc/28/66/17/167286617.db2.gz NEQYBCOSNNKVKE-UHFFFAOYSA-N 0 0 204.628 2.972 50 0 BFAARN CC(C)Oc1ccc(Br)nc1 ZINC000072193032 167290822 /nfs/dbraw/zinc/29/08/22/167290822.db2.gz CUYHLTYVNBUNMW-UHFFFAOYSA-N 0 0 216.078 2.631 50 0 BFAARN CC(C)Oc1ccc(C=O)cc1Cn1ccnc1 ZINC000013424677 167291778 /nfs/dbraw/zinc/29/17/78/167291778.db2.gz UWMWGLGHZZJUJW-UHFFFAOYSA-N 0 0 244.294 2.531 50 0 BFAARN CC(C)Oc1ccc(C=O)cc1CN1CCCC1 ZINC000013424680 167292640 /nfs/dbraw/zinc/29/26/40/167292640.db2.gz KWOPYDHXAZUUOS-UHFFFAOYSA-N 0 0 247.338 2.882 50 0 BFAARN CC(C)Oc1ccc(N[C@H]2CCOC2)c(F)c1 ZINC000095978144 167296410 /nfs/dbraw/zinc/29/64/10/167296410.db2.gz HGSGZPGRQQIWJV-JTQLQIEISA-N 0 0 239.290 2.814 50 0 BFAARN CC(C)Oc1cccc(/C=C/[N+](=O)[O-])c1 ZINC000038534588 167305449 /nfs/dbraw/zinc/30/54/49/167305449.db2.gz BUXFAOMWKWPOJC-VOTSOKGWSA-N 0 0 207.229 2.721 50 0 BFAARN CC(C)Oc1ncnc2c3ccccc3[nH]c21 ZINC000013865245 167315760 /nfs/dbraw/zinc/31/57/60/167315760.db2.gz MIZKNAIQHARXSZ-UHFFFAOYSA-N 0 0 227.267 2.898 50 0 BFAARN CC(C)Sc1nnnn1C1CCCCC1 ZINC000048396167 167337967 /nfs/dbraw/zinc/33/79/67/167337967.db2.gz RDIHSRQVOQJGOQ-UHFFFAOYSA-N 0 0 226.349 2.679 50 0 BFAARN CC(C)Sc1nc2ccccc2n1CCO ZINC000000122684 167338131 /nfs/dbraw/zinc/33/81/31/167338131.db2.gz QSYBKEBLDOGLIV-UHFFFAOYSA-N 0 0 236.340 2.529 50 0 BFAARN CC[NH+](CC)Cc1ccc(/C=C/C(=O)[O-])cc1 ZINC000049625870 169790975 /nfs/dbraw/zinc/79/09/75/169790975.db2.gz CYXNSPIICGVVPJ-MDZDMXLPSA-N 0 0 233.311 2.626 50 0 BFAARN CC(C)[C@H]1CO[C@]2(c3ccccc3)CCC(=O)N12 ZINC000000154907 167495903 /nfs/dbraw/zinc/49/59/03/167495903.db2.gz USVVTHSUMLVZJC-HIFRSBDPSA-N 0 0 245.322 2.517 50 0 biogenic BFAARN CC(C)[C@H]1C[C@H](c2csc(N)n2)CCO1 ZINC000000191473 167505560 /nfs/dbraw/zinc/50/55/60/167505560.db2.gz JXYPLQDIDJLTJJ-PSASIEDQSA-N 0 0 226.345 2.644 50 0 BFAARN CC(C)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C ZINC000096454041 167518196 /nfs/dbraw/zinc/51/81/96/167518196.db2.gz VYPPPEXWROLDMF-WDEREUQCSA-N 0 0 243.347 2.572 50 0 BFAARN CC(C)c1c(N)cnn1-c1ccccc1 ZINC000085634239 167554903 /nfs/dbraw/zinc/55/49/03/167554903.db2.gz DUBQDGHFTJXULH-UHFFFAOYSA-N 0 0 201.273 2.578 50 0 BFAARN CC(C)c1ccc(OCC(=O)N2CCCC2)cc1 ZINC000000303189 167608655 /nfs/dbraw/zinc/60/86/55/167608655.db2.gz ZVMJMVBFZKGCNF-UHFFFAOYSA-N 0 0 247.338 2.811 50 0 BFAARN CC(C)c1ccsc1C(=O)Nc1cnn(C)c1 ZINC000048891758 167648677 /nfs/dbraw/zinc/64/86/77/167648677.db2.gz STOXJAJBCHTBLU-UHFFFAOYSA-N 0 0 249.339 2.857 50 0 BFAARN Cc1cc(NC(=O)CC(C)C)n(C(C)(C)C)n1 ZINC000047228239 411118345 /nfs/dbraw/zinc/11/83/45/411118345.db2.gz TXCVGFVMQZECLE-UHFFFAOYSA-N 0 0 237.347 2.931 50 0 BFAARN CNC(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000047717776 411162630 /nfs/dbraw/zinc/16/26/30/411162630.db2.gz VTHUDOSTVQTQSF-LLVKDONJSA-N 0 0 238.356 2.908 50 0 BFAARN Cc1ncsc1C(=O)N(C)[C@H](C)CC(C)C ZINC000046787153 411196928 /nfs/dbraw/zinc/19/69/28/411196928.db2.gz MXQSRONRJJQRTD-SECBINFHSA-N 0 0 240.372 2.958 50 0 BFAARN CCN(CC)c1nc2ccc(O)cc2s1 ZINC000045237292 169805535 /nfs/dbraw/zinc/80/55/35/169805535.db2.gz FMYKVNAXSVUEBU-UHFFFAOYSA-N 0 0 222.313 2.848 50 0 BFAARN CO[C@H](C)c1cccc(-c2ccc(C(N)=O)o2)c1 ZINC000426730283 411282184 /nfs/dbraw/zinc/28/21/84/411282184.db2.gz CTDGBRQQYCMFNQ-SECBINFHSA-N 0 0 245.278 2.753 50 0 BFAARN C[C@@]12C[C@@H]1CC(C)(C)CCC21OCCO1 ZINC000071785988 167891816 /nfs/dbraw/zinc/89/18/16/167891816.db2.gz CDABDQBRUUFCQK-CMPLNLGQSA-N 0 0 210.317 2.966 50 0 BFAARN CC1(C)[C@@H]2CC[C@@]1(C)C(O)=C2C(=O)C(F)(F)F ZINC000002242742 168003545 /nfs/dbraw/zinc/00/35/45/168003545.db2.gz ISLOIHOAZDSEAJ-AMXGMDGSSA-N 0 0 248.244 2.759 50 0 BFAARN CC1(C)[C@H]2CC[C@]1(C)c1[nH]c(=S)nnc12 ZINC000005686111 168010749 /nfs/dbraw/zinc/01/07/49/168010749.db2.gz FYDIWFZMQQDSND-UPONEAKYSA-N 0 0 221.329 2.709 50 0 BFAARN CC1(C)CC(=O)C[C@H]1CCC1(C)OCCO1 ZINC000045071728 168021476 /nfs/dbraw/zinc/02/14/76/168021476.db2.gz JBORCXOOPWLMIP-SNVBAGLBSA-N 0 0 226.316 2.535 50 0 BFAARN CC12CN3CC(C)(CN(C1)C3c1cccs1)C2 ZINC000019324166 168074333 /nfs/dbraw/zinc/07/43/33/168074333.db2.gz AXSULNBQGJAEOG-UHFFFAOYSA-N 0 0 248.395 2.794 50 0 BFAARN CC1=C(C(=O)NCC2CC(F)(F)C2)CCC1 ZINC000336354281 168076418 /nfs/dbraw/zinc/07/64/18/168076418.db2.gz WPXJRXMMFWAELI-UHFFFAOYSA-N 0 0 229.270 2.648 50 0 BFAARN CC1=C[C@H](C)C2(COC(C)OC2)[C@H](C)C1 ZINC000000517784 168126737 /nfs/dbraw/zinc/12/67/37/168126737.db2.gz BAYLCXARJZNKOL-ZFDZMSFRSA-N 0 0 210.317 2.988 50 0 biogenic BFAARN CC1=N/C(=C\C=C\c2ccccc2)C(=O)O1 ZINC000004693641 168133069 /nfs/dbraw/zinc/13/30/69/168133069.db2.gz SQIINWMZSDPVND-VQDMZCOGSA-N 0 0 213.236 2.559 50 0 BFAARN CC1CCN(C(=O)CCc2cccs2)CC1 ZINC000036140418 168170643 /nfs/dbraw/zinc/17/06/43/168170643.db2.gz OTUGTSHZIKSZDZ-UHFFFAOYSA-N 0 0 237.368 2.939 50 0 BFAARN CCC(=CC(=O)Nc1cccnc1)CC ZINC000164139559 168195873 /nfs/dbraw/zinc/19/58/73/168195873.db2.gz VKDZLHMADZYNML-UHFFFAOYSA-N 0 0 204.273 2.767 50 0 BFAARN CCC(=O)N(C)c1cccc2cccnc21 ZINC000252485401 168212723 /nfs/dbraw/zinc/21/27/23/168212723.db2.gz GTZINKOMWFSBGI-UHFFFAOYSA-N 0 0 214.268 2.608 50 0 BFAARN CCC(=O)N1CCC(c2ccc(OC)cc2)CC1 ZINC000064553705 168215346 /nfs/dbraw/zinc/21/53/46/168215346.db2.gz KEAWOOXMISPKMF-UHFFFAOYSA-N 0 0 247.338 2.811 50 0 BFAARN CCC(=O)N1CCC[C@@H]1Cc1ccccc1OC ZINC000058404551 168218468 /nfs/dbraw/zinc/21/84/68/168218468.db2.gz DDJLQKBPLQJRTC-CYBMUJFWSA-N 0 0 247.338 2.639 50 0 BFAARN CCC(=O)N1C[C@@H](C)O[C@H](c2ccc(C)cc2)C1 ZINC000041422264 168227163 /nfs/dbraw/zinc/22/71/63/168227163.db2.gz SHUIKUPBACIPJJ-OCCSQVGLSA-N 0 0 247.338 2.693 50 0 BFAARN CCC(=O)NCCCSc1ccccc1 ZINC000040458938 168228860 /nfs/dbraw/zinc/22/88/60/168228860.db2.gz KVSDVIDEUQWUTP-UHFFFAOYSA-N 0 0 223.341 2.695 50 0 BFAARN CCC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000044866057 168229444 /nfs/dbraw/zinc/22/94/44/168229444.db2.gz UVEVVQZPQZKISQ-UHFFFAOYSA-N 0 0 245.244 2.774 50 0 BFAARN CCC(=O)N[C@@H](C)c1cc(C)ccc1C ZINC000006741719 168236595 /nfs/dbraw/zinc/23/65/95/168236595.db2.gz WTLMLAAXOBPLCL-NSHDSACASA-N 0 0 205.301 2.891 50 0 BFAARN CCC(=O)N[C@H](C)Cc1c[nH]c2ccccc12 ZINC000000192497 168239613 /nfs/dbraw/zinc/23/96/13/168239613.db2.gz MHMOEPVGEPQEEV-SNVBAGLBSA-N 0 0 230.311 2.625 50 0 biogenic BFAARN CCC(=O)N[C@H](CC)c1ccc(C)cc1 ZINC000006698448 168239813 /nfs/dbraw/zinc/23/98/13/168239813.db2.gz AVCINTRUNIKJCU-GFCCVEGCSA-N 0 0 205.301 2.972 50 0 BFAARN CCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000055274558 168240073 /nfs/dbraw/zinc/24/00/73/168240073.db2.gz FISZKMZDSPXLAU-YUMQZZPRSA-N 0 0 223.238 2.634 50 0 BFAARN CCC(=O)Nc1ccc(N(CC)CC)cc1 ZINC000005261125 168244417 /nfs/dbraw/zinc/24/44/17/168244417.db2.gz PHVADMKFYOITNU-UHFFFAOYSA-N 0 0 220.316 2.881 50 0 BFAARN CCC(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000170607449 168244745 /nfs/dbraw/zinc/24/47/45/168244745.db2.gz MAADACCOGJOIJU-UHFFFAOYSA-N 0 0 249.701 2.874 50 0 BFAARN CCC(=O)Nc1cccc(N2CCCC2)c1 ZINC000020499605 168245184 /nfs/dbraw/zinc/24/51/84/168245184.db2.gz MVQJSTAZLGEGMP-UHFFFAOYSA-N 0 0 218.300 2.635 50 0 BFAARN CCC(=O)Nc1cccc(-n2cc[nH]c2=S)c1 ZINC000040512128 168245251 /nfs/dbraw/zinc/24/52/51/168245251.db2.gz UAUNWANUQUMTFP-UHFFFAOYSA-N 0 0 247.323 2.883 50 0 BFAARN CCC(=O)Nc1ccccc1C(=O)N[C@H](C)CC ZINC000051528872 168247433 /nfs/dbraw/zinc/24/74/33/168247433.db2.gz KFCPKRDUZBQTPT-SNVBAGLBSA-N 0 0 248.326 2.563 50 0 BFAARN CCC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000004059111 168247862 /nfs/dbraw/zinc/24/78/62/168247862.db2.gz QWNPCALGIYBSIX-UHFFFAOYSA-N 0 0 233.296 2.554 50 0 BFAARN CCC(=O)OCc1nc2ccccc2s1 ZINC000003373697 168249751 /nfs/dbraw/zinc/24/97/51/168249751.db2.gz IEZWKFIKURMFRW-UHFFFAOYSA-N 0 0 221.281 2.750 50 0 BFAARN CCC(=O)c1ccc(OCc2noc(C)n2)cc1 ZINC000020253810 168257978 /nfs/dbraw/zinc/25/79/78/168257978.db2.gz CZTZHUDSXSLNSA-UHFFFAOYSA-N 0 0 246.266 2.550 50 0 BFAARN CCC(C)(C)NC(=O)Cc1ccc(F)cc1 ZINC000002847202 168291047 /nfs/dbraw/zinc/29/10/47/168291047.db2.gz GGMLKDSMJOAAOK-UHFFFAOYSA-N 0 0 223.291 2.673 50 0 BFAARN CCC(C)(C)NC(=O)c1cccc(NC(C)=O)c1 ZINC000032666447 168297751 /nfs/dbraw/zinc/29/77/51/168297751.db2.gz RNVHSQLCVCIDIE-UHFFFAOYSA-N 0 0 248.326 2.563 50 0 BFAARN CCC(C)(C)NC(=O)c1ccccc1F ZINC000032666439 168298219 /nfs/dbraw/zinc/29/82/19/168298219.db2.gz WITYTARKAMSABC-UHFFFAOYSA-N 0 0 209.264 2.744 50 0 BFAARN CCC(C)(C)OC(=O)c1cccc(C)n1 ZINC000097049074 168303077 /nfs/dbraw/zinc/30/30/77/168303077.db2.gz ZMKBABOJNTWUOO-UHFFFAOYSA-N 0 0 207.273 2.735 50 0 BFAARN CCNC(=O)/C=C(\c1ccccc1)C(F)(F)F ZINC000096257554 170042648 /nfs/dbraw/zinc/04/26/48/170042648.db2.gz OXNZXAKQUDKXMV-CSKARUKUSA-N 0 0 243.228 2.768 50 0 BFAARN CCNC(=O)CCc1ccc(C(C)C)cc1 ZINC000010327859 170054061 /nfs/dbraw/zinc/05/40/61/170054061.db2.gz RAVOCNYDZMQUQM-UHFFFAOYSA-N 0 0 219.328 2.879 50 0 BFAARN CCNC(=O)N(C)[C@H](CC)Cc1ccccc1 ZINC000080580283 170071838 /nfs/dbraw/zinc/07/18/38/170071838.db2.gz FIIKGDPDZMGWGQ-CYBMUJFWSA-N 0 0 234.343 2.669 50 0 BFAARN CCNC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000096415185 170071904 /nfs/dbraw/zinc/07/19/04/170071904.db2.gz RIQRPERRNXNRIU-LBPRGKRZSA-N 0 0 234.343 2.587 50 0 BFAARN CCNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000000399674 170071973 /nfs/dbraw/zinc/07/19/73/170071973.db2.gz LDBSVLXXTZFWPT-UHFFFAOYSA-N 0 0 226.707 2.501 50 0 BFAARN CCNC(=O)Nc1ccc(Br)cc1 ZINC000000396416 170084337 /nfs/dbraw/zinc/08/43/37/170084337.db2.gz GUNDEIBZUWFUQA-UHFFFAOYSA-N 0 0 243.104 2.591 50 0 BFAARN CCNC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000069296580 170100995 /nfs/dbraw/zinc/10/09/95/170100995.db2.gz ATLMBSQEQQLIGG-QMMMGPOBSA-N 0 0 223.341 2.623 50 0 BFAARN CCNC(=O)c1cccc(Oc2ccccn2)c1 ZINC000096122660 170103183 /nfs/dbraw/zinc/10/31/83/170103183.db2.gz MPWVXYBZZBJOAF-UHFFFAOYSA-N 0 0 242.278 2.624 50 0 BFAARN CCNC(=O)c1cccc(Cl)c1Cl ZINC000013008575 170103314 /nfs/dbraw/zinc/10/33/14/170103314.db2.gz XLIWICYILPTDAW-UHFFFAOYSA-N 0 0 218.083 2.743 50 0 BFAARN CCNC(=O)c1ccccc1-c1c(C)noc1C ZINC000032507761 170103939 /nfs/dbraw/zinc/10/39/39/170103939.db2.gz DGJSSGUSWWHAIU-UHFFFAOYSA-N 0 0 244.294 2.708 50 0 BFAARN CCNC(=O)c1sc2ccccc2c1C ZINC000012919920 170105366 /nfs/dbraw/zinc/10/53/66/170105366.db2.gz ONEAGGYHSXOBST-UHFFFAOYSA-N 0 0 219.309 2.959 50 0 BFAARN CCNC(=S)Nc1c(C)cccc1C ZINC000004685246 170106608 /nfs/dbraw/zinc/10/66/08/170106608.db2.gz AVPJDTSWZGZVEO-UHFFFAOYSA-N 0 0 208.330 2.610 50 0 BFAARN CCNC(=S)Nc1cccc(CC)c1 ZINC000013789192 170106622 /nfs/dbraw/zinc/10/66/22/170106622.db2.gz BMQPMTHGGBSUFQ-UHFFFAOYSA-N 0 0 208.330 2.555 50 0 BFAARN CCNc1cc2oc(=O)cc(C)c2cc1C ZINC000000266372 170172987 /nfs/dbraw/zinc/17/29/87/170172987.db2.gz QZXAEJGHNXJTSE-UHFFFAOYSA-N 0 0 217.268 2.842 50 0 biogenic BFAARN CCNc1ccc(C(F)(F)F)cc1N ZINC000001465976 170173464 /nfs/dbraw/zinc/17/34/64/170173464.db2.gz MOQFNDFDNBIIHW-UHFFFAOYSA-N 0 0 204.195 2.719 50 0 BFAARN CCNc1nc(C(C)C)nc2c(C)nn(CC)c21 ZINC000072238361 170176418 /nfs/dbraw/zinc/17/64/18/170176418.db2.gz PIQNOXADLRKXJI-UHFFFAOYSA-N 0 0 247.346 2.710 50 0 BFAARN CCNc1nnc(Cc2ccccc2)s1 ZINC000097085892 170178763 /nfs/dbraw/zinc/17/87/63/170178763.db2.gz AHBDGDWBPWZQPU-UHFFFAOYSA-N 0 0 219.313 2.561 50 0 BFAARN CCOC(=N)c1ccc(F)c(Cl)c1 ZINC000012368398 170180401 /nfs/dbraw/zinc/18/04/01/170180401.db2.gz WFPACVNOALZEEG-UHFFFAOYSA-N 0 0 201.628 2.841 50 0 BFAARN CCOC(=O)C=C(C)Nc1ccccc1 ZINC000100010476 170182863 /nfs/dbraw/zinc/18/28/63/170182863.db2.gz NLGDIRPNWGZGLI-MDZDMXLPSA-N 0 0 205.257 2.565 50 0 BFAARN CCOC(=O)C(=O)c1c(C)ccc2ccccc21 ZINC000043209636 170185126 /nfs/dbraw/zinc/18/51/26/170185126.db2.gz NUQYTOHXWRLOSS-UHFFFAOYSA-N 0 0 242.274 2.894 50 0 BFAARN CCOC(=O)C(C)(C)Oc1cccc(C)c1 ZINC000001459374 170188126 /nfs/dbraw/zinc/18/81/26/170188126.db2.gz YQIXMNLLNGNCRF-UHFFFAOYSA-N 0 0 222.284 2.716 50 0 BFAARN CCOC(=O)C(C)(CCC(C)C)C(=O)OCC ZINC000001664893 170188135 /nfs/dbraw/zinc/18/81/35/170188135.db2.gz LFMBZEGLMSBWHG-UHFFFAOYSA-N 0 0 244.331 2.555 50 0 BFAARN CCOC(=O)C(F)(F)c1ccc(F)cc1F ZINC000055237939 170189250 /nfs/dbraw/zinc/18/92/50/170189250.db2.gz YAKBPASPIJTDDM-UHFFFAOYSA-N 0 0 236.164 2.620 50 0 BFAARN CCOC(=O)COc1c(C)ccc(C)c1C ZINC000001513506 170228855 /nfs/dbraw/zinc/22/88/55/170228855.db2.gz XDLUESKRNMLVFL-UHFFFAOYSA-N 0 0 222.284 2.554 50 0 BFAARN CCOC(=O)COc1ccccc1C(C)C ZINC000001459367 170229280 /nfs/dbraw/zinc/22/92/80/170229280.db2.gz CYMQLVKNVKRVAX-UHFFFAOYSA-N 0 0 222.284 2.752 50 0 BFAARN CCOC(=O)CSc1cccc(C)c1 ZINC000040695608 170229989 /nfs/dbraw/zinc/22/99/89/170229989.db2.gz HJSPKJGIDKTQSR-UHFFFAOYSA-N 0 0 210.298 2.650 50 0 BFAARN CCOC(=O)CSc1cccc2cccnc21 ZINC000000617289 170230162 /nfs/dbraw/zinc/23/01/62/170230162.db2.gz KUZAWDRHHATKNE-UHFFFAOYSA-N 0 0 247.319 2.890 50 0 BFAARN CCOC(=O)Cc1c(F)cccc1Cl ZINC000002570116 170235095 /nfs/dbraw/zinc/23/50/95/170235095.db2.gz CEWCLHPMDWPDNQ-UHFFFAOYSA-N 0 0 216.639 2.585 50 0 BFAARN CCOC(=O)Cc1cccc2occc21 ZINC000001387749 170235773 /nfs/dbraw/zinc/23/57/73/170235773.db2.gz IQHUIGZIFRCAFR-UHFFFAOYSA-N 0 0 204.225 2.538 50 0 BFAARN CCOC(=O)Cc1coc2ccccc12 ZINC000005177643 170236466 /nfs/dbraw/zinc/23/64/66/170236466.db2.gz LSGDCGDXQLDKGO-UHFFFAOYSA-N 0 0 204.225 2.538 50 0 BFAARN CCOC(=O)N(OC)c1ccc(Cl)cc1 ZINC000000400488 170238720 /nfs/dbraw/zinc/23/87/20/170238720.db2.gz IEJAZVCTKVBASX-UHFFFAOYSA-N 0 0 229.663 2.864 50 0 BFAARN CCOC(=O)N=c1[nH]c2c(s1)CCCC2 ZINC000013331288 170244216 /nfs/dbraw/zinc/24/42/16/170244216.db2.gz NPVRVHLVKZWQRI-UHFFFAOYSA-N 0 0 226.301 2.590 50 0 BFAARN CCOC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000002549387 170248192 /nfs/dbraw/zinc/24/81/92/170248192.db2.gz ZASLLZRPQBIMMY-MRVPVSSYSA-N 0 0 228.675 2.670 50 0 BFAARN CCOC(=O)[C@@H](CC)Oc1ccc(F)cc1F ZINC000084119805 170251001 /nfs/dbraw/zinc/25/10/01/170251001.db2.gz XMNUBMYMOABVGR-SNVBAGLBSA-N 0 0 244.237 2.685 50 0 BFAARN CCOC(=O)[C@@](C)(CC)c1ccccc1 ZINC000000393303 170260088 /nfs/dbraw/zinc/26/00/88/170260088.db2.gz XSCGESRBIGOGKZ-ZDUSSCGKSA-N 0 0 206.285 2.917 50 0 BFAARN CCOC(=O)[C@H](C)Oc1ccccc1Cl ZINC000002771828 170268978 /nfs/dbraw/zinc/26/89/78/170268978.db2.gz ZASLLZRPQBIMMY-QMMMGPOBSA-N 0 0 228.675 2.670 50 0 BFAARN CCOC(=O)[C@H](c1ccccc1)n1cccc1 ZINC000000165755 170279107 /nfs/dbraw/zinc/27/91/07/170279107.db2.gz KDWUERNOAYIKFV-ZDUSSCGKSA-N 0 0 229.279 2.641 50 0 BFAARN CCOC(=O)c1c(C)cc(Cl)nc1Cl ZINC000082046542 170287474 /nfs/dbraw/zinc/28/74/74/170287474.db2.gz IZRKHJUVHZLWLL-UHFFFAOYSA-N 0 0 234.082 2.874 50 0 BFAARN CCOC(=O)c1c(C)c2ccc(OC)cc2n1C ZINC000096345919 170287677 /nfs/dbraw/zinc/28/76/77/170287677.db2.gz VXPAMODDEMHLGM-UHFFFAOYSA-N 0 0 247.294 2.672 50 0 BFAARN CCOC(=O)c1c(C)n(C)c2ccc(C)cc21 ZINC000004685292 170288162 /nfs/dbraw/zinc/28/81/62/170288162.db2.gz ANRBCBJXUMZRIP-UHFFFAOYSA-N 0 0 231.295 2.972 50 0 BFAARN CCOC(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000000109912 170288417 /nfs/dbraw/zinc/28/84/17/170288417.db2.gz BUIZDUYEIRRDAV-UHFFFAOYSA-N 0 0 244.294 2.666 50 0 in-vivo BFAARN CCOC(=O)c1c(C)sc(C=O)c1Cl ZINC000048608133 170288608 /nfs/dbraw/zinc/28/86/08/170288608.db2.gz NYXNWKHMSRYHAE-UHFFFAOYSA-N 0 0 232.688 2.699 50 0 BFAARN CCOC(=O)c1c(C)oc2ccc(OC)cc21 ZINC000000281936 170288633 /nfs/dbraw/zinc/28/86/33/170288633.db2.gz JTVBUFPPKSXXJT-UHFFFAOYSA-N 0 0 234.251 2.927 50 0 BFAARN CCOC(=O)c1c[nH]c2c1cccc2Cl ZINC000098096574 170289670 /nfs/dbraw/zinc/28/96/70/170289670.db2.gz OEHWMSNKVGVIGD-UHFFFAOYSA-N 0 0 223.659 2.998 50 0 BFAARN CCOC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000001750455 170292588 /nfs/dbraw/zinc/29/25/88/170292588.db2.gz MIDALAPASRDTOZ-UHFFFAOYSA-N 0 0 234.082 2.752 50 0 BFAARN CCOC(=O)c1cc2cc(OCC)ccc2[nH]1 ZINC000000114592 170293611 /nfs/dbraw/zinc/29/36/11/170293611.db2.gz IMFWDOPIAXKRBO-UHFFFAOYSA-N 0 0 233.267 2.743 50 0 BFAARN CCOC(=O)c1cc2cc(CC)ccc2[nH]1 ZINC000001703141 170293716 /nfs/dbraw/zinc/29/37/16/170293716.db2.gz BPAHRSSJFSVBFO-UHFFFAOYSA-N 0 0 217.268 2.907 50 0 BFAARN CCOC(=O)c1cc2cc(N)ccc2s1 ZINC000000170453 170293902 /nfs/dbraw/zinc/29/39/02/170293902.db2.gz CHFISKGSWVIUIX-UHFFFAOYSA-N 0 0 221.281 2.660 50 0 BFAARN CCOC(=O)c1ccc(-c2csc(N)n2)cc1 ZINC000002574045 170294534 /nfs/dbraw/zinc/29/45/34/170294534.db2.gz ZRQYVQKHYUPKST-UHFFFAOYSA-N 0 0 248.307 2.569 50 0 BFAARN CCOC(=O)c1ccc(CSC)cc1 ZINC000082238036 170295257 /nfs/dbraw/zinc/29/52/57/170295257.db2.gz PTYLJIKSNUOZHZ-UHFFFAOYSA-N 0 0 210.298 2.726 50 0 BFAARN CCOC(=O)c1ccc(OC)c(Cl)c1 ZINC000002545423 170297366 /nfs/dbraw/zinc/29/73/66/170297366.db2.gz HEKNQCPDISZPCL-UHFFFAOYSA-N 0 0 214.648 2.525 50 0 BFAARN CCOC(=O)c1ccc2c(c1)nccc2OCC ZINC000218899983 170297671 /nfs/dbraw/zinc/29/76/71/170297671.db2.gz VEIBFPAMWJLWEV-UHFFFAOYSA-N 0 0 245.278 2.810 50 0 BFAARN CCOC(=O)c1ccc2[nH]c(C)cc2c1 ZINC000037625215 170297829 /nfs/dbraw/zinc/29/78/29/170297829.db2.gz YFKMUHCEYGQEJA-UHFFFAOYSA-N 0 0 203.241 2.653 50 0 BFAARN CCOC(=O)c1ccc2c(c1)ncn2C(C)C ZINC000095496130 170297919 /nfs/dbraw/zinc/29/79/19/170297919.db2.gz REWGFANBMHYIAX-UHFFFAOYSA-N 0 0 232.283 2.794 50 0 BFAARN CCOC(=O)c1cccc(Br)c1F ZINC000028278510 170298497 /nfs/dbraw/zinc/29/84/97/170298497.db2.gz GQNWAVFXHZEZKP-UHFFFAOYSA-N 0 0 247.063 2.765 50 0 BFAARN CCOC(=O)c1cccc(NC(=O)CC)c1C ZINC000071754886 170298716 /nfs/dbraw/zinc/29/87/16/170298716.db2.gz FHDNRTLQMUAVRB-UHFFFAOYSA-N 0 0 235.283 2.520 50 0 BFAARN CCOC(=O)c1csc2c1CCCC2 ZINC000051512116 170305911 /nfs/dbraw/zinc/30/59/11/170305911.db2.gz PRLFFGNMYPVCOW-UHFFFAOYSA-N 0 0 210.298 2.804 50 0 BFAARN CCOC(=O)c1ncoc1-c1ccccc1 ZINC000000165078 170308559 /nfs/dbraw/zinc/30/85/59/170308559.db2.gz LFBYYERWTHYROG-UHFFFAOYSA-N 0 0 217.224 2.518 50 0 BFAARN CCOC(Cc1ccc(F)cc1F)OCC ZINC000043502843 170315781 /nfs/dbraw/zinc/31/57/81/170315781.db2.gz HANYTLJFPJHBKS-UHFFFAOYSA-N 0 0 230.254 2.906 50 0 BFAARN CCOCC(=O)Nc1ccccc1C(C)C ZINC000002734040 170349062 /nfs/dbraw/zinc/34/90/62/170349062.db2.gz KKHYTDVXPOYFBX-UHFFFAOYSA-N 0 0 221.300 2.785 50 0 BFAARN CCOCCC(=O)N[C@H](C)c1cccc(C)c1C ZINC000071908777 170362168 /nfs/dbraw/zinc/36/21/68/170362168.db2.gz MYNHZNMNGXOOFZ-CYBMUJFWSA-N 0 0 249.354 2.907 50 0 BFAARN CCOCCCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000103366519 170365132 /nfs/dbraw/zinc/36/51/32/170365132.db2.gz NKILCNNPEZPNAB-TXEJJXNPSA-N 0 0 227.348 2.593 50 0 BFAARN CCOCCCNC(=O)c1ccc(Cl)s1 ZINC000036395912 170379329 /nfs/dbraw/zinc/37/93/29/170379329.db2.gz NRNBMZDRUVECPX-UHFFFAOYSA-N 0 0 247.747 2.558 50 0 BFAARN CCOCCCn1c2ccccc2nc1[C@H](C)O ZINC000040163896 170385441 /nfs/dbraw/zinc/38/54/41/170385441.db2.gz BERCSAVOVTUCOX-NSHDSACASA-N 0 0 248.326 2.516 50 0 BFAARN CCOc1cc(Cl)c(C=O)cc1OC ZINC000002776342 170523276 /nfs/dbraw/zinc/52/32/76/170523276.db2.gz YKZACVGMUVDWEA-UHFFFAOYSA-N 0 0 214.648 2.560 50 0 BFAARN CCOc1cc(O)cc(C(F)(F)F)c1F ZINC000261494405 170527743 /nfs/dbraw/zinc/52/77/43/170527743.db2.gz WTEFDJLNDZJING-UHFFFAOYSA-N 0 0 224.153 2.949 50 0 BFAARN CCOc1cc2nc(N)sc2cc1OCC ZINC000004205264 170530118 /nfs/dbraw/zinc/53/01/18/170530118.db2.gz LMUXEVKUJYREDK-UHFFFAOYSA-N 0 0 238.312 2.676 50 0 BFAARN CCOc1ccc(C(=O)N(CC)CC)cc1 ZINC000001598356 170536602 /nfs/dbraw/zinc/53/66/02/170536602.db2.gz BNKLTZHPOPBYQP-UHFFFAOYSA-N 0 0 221.300 2.567 50 0 BFAARN CCOc1ccc(I)cc1 ZINC000000403995 170548742 /nfs/dbraw/zinc/54/87/42/170548742.db2.gz VSIIHWOJPSSIDI-UHFFFAOYSA-N 0 0 248.063 2.690 50 0 BFAARN CCSc1nnc2c3cc(C)ccc3[nH]c2n1 ZINC000018190485 170658482 /nfs/dbraw/zinc/65/84/82/170658482.db2.gz GKHCPJRSVBGSAF-UHFFFAOYSA-N 0 0 244.323 2.927 50 0 BFAARN CC[C@@H](C)C(=O)N(c1ccccc1)[C@@H]1CCOC1 ZINC000192079469 170677147 /nfs/dbraw/zinc/67/71/47/170677147.db2.gz LUNLGNSYNGEFEE-TZMCWYRMSA-N 0 0 247.338 2.855 50 0 BFAARN CC[C@@H](C)NC(=O)NCc1ccccc1Cl ZINC000000137451 170742752 /nfs/dbraw/zinc/74/27/52/170742752.db2.gz MMJUJRNDBHUHAI-SECBINFHSA-N 0 0 240.734 2.938 50 0 BFAARN CC[C@@H](C)NC(=O)c1cc(-c2ccccc2)on1 ZINC000000815042 170747220 /nfs/dbraw/zinc/74/72/20/170747220.db2.gz LDNDXBBSMABXOQ-SNVBAGLBSA-N 0 0 244.294 2.870 50 0 BFAARN CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(OC)c1 ZINC000048309518 170772321 /nfs/dbraw/zinc/77/23/21/170772321.db2.gz VIGYEJISJWFCLU-GHMZBOCLSA-N 0 0 235.327 2.860 50 0 BFAARN CC[C@@H](C)[C@H](CO)Nc1ccc(Cl)cn1 ZINC000095963229 170794372 /nfs/dbraw/zinc/79/43/72/170794372.db2.gz TYBNVUAADAAULD-SCZZXKLOSA-N 0 0 228.723 2.554 50 0 BFAARN CC[C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000000482779 170804064 /nfs/dbraw/zinc/80/40/64/170804064.db2.gz OOWBFBYEOFBUCX-SNVBAGLBSA-N 0 0 241.356 2.962 50 0 BFAARN CC[C@@H](C)c1ccc(NC(=O)COC)cc1 ZINC000002751941 170804530 /nfs/dbraw/zinc/80/45/30/170804530.db2.gz FGCXBGDFQXKPOA-SNVBAGLBSA-N 0 0 221.300 2.785 50 0 BFAARN CC[C@@H](C)N1C(=S)N=NC1c1ccncc1 ZINC000012909887 170809494 /nfs/dbraw/zinc/80/94/94/170809494.db2.gz QKBZSXVXHKPDRC-MRVPVSSYSA-N 0 0 234.328 2.600 50 0 BFAARN CC[C@@H](SC[C@@H](C)c1ccccc1)C(N)=O ZINC000096496214 170949789 /nfs/dbraw/zinc/94/97/89/170949789.db2.gz XHXWFWMXSCAPCI-ZYHUDNBSSA-N 0 0 237.368 2.787 50 0 BFAARN CC[C@@H]1CCc2c(=O)[nH]c3ccccc3c2O1 ZINC000008665926 171060684 /nfs/dbraw/zinc/06/06/84/171060684.db2.gz AYHZSOKNJRWFHZ-SECBINFHSA-N 0 0 229.279 2.632 50 0 BFAARN CC[C@@H]1CN(C(=O)Nc2ccc(C)cc2)CCO1 ZINC000012892200 171066447 /nfs/dbraw/zinc/06/64/47/171066447.db2.gz NJMCGYOUVFUPKO-CYBMUJFWSA-N 0 0 248.326 2.638 50 0 BFAARN CC[C@@H]1CSC(Nc2ccccc2OC)=N1 ZINC000006910764 171114610 /nfs/dbraw/zinc/11/46/10/171114610.db2.gz YGJZHMZXLORZDM-SECBINFHSA-N 0 0 236.340 2.989 50 0 BFAARN CC[C@H](C(=O)NCC(C)C)c1ccccc1 ZINC000002057718 171227420 /nfs/dbraw/zinc/22/74/20/171227420.db2.gz CMNSWXNDTNZFDE-ZDUSSCGKSA-N 0 0 219.328 2.952 50 0 BFAARN CC[C@H](C(=O)Nc1cnccn1)c1ccccc1 ZINC000001053558 171235445 /nfs/dbraw/zinc/23/54/45/171235445.db2.gz KPQAZGJNBJCNDV-LBPRGKRZSA-N 0 0 241.294 2.609 50 0 BFAARN CC[C@H](C(=O)n1cccn1)c1ccccc1 ZINC000000474070 171241553 /nfs/dbraw/zinc/24/15/53/171241553.db2.gz GNVJCCFXOWCKFS-LBPRGKRZSA-N 0 0 214.268 2.717 50 0 BFAARN CC[C@H](C)C(=O)Nc1ccc(C(=O)OC)s1 ZINC000026111488 171254590 /nfs/dbraw/zinc/25/45/90/171254590.db2.gz SCIRCJLNTCZGDU-ZETCQYMHSA-N 0 0 241.312 2.519 50 0 BFAARN CC[C@H](C)NC(=O)CCCOc1ccccc1 ZINC000014399899 171321581 /nfs/dbraw/zinc/32/15/81/171321581.db2.gz ASPQNHKOEKHVLH-LBPRGKRZSA-N 0 0 235.327 2.760 50 0 BFAARN CC[C@H](C)NC(=O)CCc1ccc(F)c(F)c1 ZINC000040505717 171323650 /nfs/dbraw/zinc/32/36/50/171323650.db2.gz PBCKXFWZBFFRCP-VIFPVBQESA-N 0 0 241.281 2.812 50 0 BFAARN CC[C@H](C)NC(=O)COc1ccc(C)c(C)c1 ZINC000000318556 171326443 /nfs/dbraw/zinc/32/64/43/171326443.db2.gz QOBFOIOBXGQEGF-LBPRGKRZSA-N 0 0 235.327 2.597 50 0 BFAARN CC[C@H](C)NC(=O)Cc1ccc(Cl)cc1F ZINC000072117883 171328359 /nfs/dbraw/zinc/32/83/59/171328359.db2.gz WQFUALMHPJFIAP-QMMMGPOBSA-N 0 0 243.709 2.936 50 0 BFAARN CC[C@H](C)NC(=O)Nc1ccc(F)cc1 ZINC000012921754 171331378 /nfs/dbraw/zinc/33/13/78/171331378.db2.gz DAKFBOFAVJLZJO-QMMMGPOBSA-N 0 0 210.252 2.746 50 0 BFAARN CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000004612211 171333786 /nfs/dbraw/zinc/33/37/86/171333786.db2.gz LUMDRWWSKDYVFI-CYZMBNFOSA-N 0 0 217.312 2.705 50 0 BFAARN CC[C@H](C)NC(=O)c1cc(Cl)ccc1O ZINC000002044358 171336744 /nfs/dbraw/zinc/33/67/44/171336744.db2.gz RQYXVZYBAZYMNB-ZETCQYMHSA-N 0 0 227.691 2.574 50 0 BFAARN CC[C@H](C)NC(=O)c1cc2ccccc2o1 ZINC000004839110 171336761 /nfs/dbraw/zinc/33/67/61/171336761.db2.gz JQZILTPLRFQRJS-VIFPVBQESA-N 0 0 217.268 2.961 50 0 BFAARN CC[C@H](C)NC(=O)c1ccc(C)cc1C ZINC000000514666 171337804 /nfs/dbraw/zinc/33/78/04/171337804.db2.gz UPGJGWBPGRIIKD-NSHDSACASA-N 0 0 205.301 2.832 50 0 BFAARN CC[C@H](C)Nc1c(N)c(=O)oc2ccccc21 ZINC000017730600 171349901 /nfs/dbraw/zinc/34/99/01/171349901.db2.gz CZSJMKVVNKVDAI-QMMMGPOBSA-N 0 0 232.283 2.586 50 0 BFAARN CC[C@H](C)Sc1nc2nc(C)cc(C)n2n1 ZINC000015107910 171356728 /nfs/dbraw/zinc/35/67/28/171356728.db2.gz MHRJTIFANJMEBQ-VIFPVBQESA-N 0 0 236.344 2.632 50 0 BFAARN CC[C@H](CC[C@@H](C)O)C[C@@H]1CCCO1 ZINC000004087620 171430592 /nfs/dbraw/zinc/43/05/92/171430592.db2.gz WRDHXNUNGYABFV-UTUOFQBUSA-N 0 0 200.322 2.743 50 0 BFAARN CCc1c(Cl)nc(C)nc1N[C@@H]1C[C@@H]1C ZINC000170642838 171743262 /nfs/dbraw/zinc/74/32/62/171743262.db2.gz SSLZZUQOOKDKJO-IMTBSYHQSA-N 0 0 225.723 2.821 50 0 BFAARN CCc1ccc(-c2cc(C)nc(N)n2)cc1 ZINC000052837877 171778124 /nfs/dbraw/zinc/77/81/24/171778124.db2.gz JVBPLOVYZXRPRB-UHFFFAOYSA-N 0 0 213.284 2.597 50 0 BFAARN CCc1ccc(NC(=O)C2CCOCC2)cc1 ZINC000024635929 171817870 /nfs/dbraw/zinc/81/78/70/171817870.db2.gz RSDCMLNDYBQLPL-UHFFFAOYSA-N 0 0 233.311 2.614 50 0 BFAARN CCc1ccccc1O[C@@H](C)C(=O)NC(C)C ZINC000019931414 171891862 /nfs/dbraw/zinc/89/18/62/171891862.db2.gz NZGZRLCEZPFVLY-NSHDSACASA-N 0 0 235.327 2.541 50 0 BFAARN CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000000144519 171937355 /nfs/dbraw/zinc/93/73/55/171937355.db2.gz PLPLVENHKIILDV-UHFFFAOYSA-N 0 0 208.648 2.952 50 0 BFAARN CCc1nc(C)c(C(=O)NCCC2CC2)s1 ZINC000081019548 171950637 /nfs/dbraw/zinc/95/06/37/171950637.db2.gz PXMUHOXCSICFCL-UHFFFAOYSA-N 0 0 238.356 2.544 50 0 BFAARN CCc1nc(CN(C)Cc2ccco2)cs1 ZINC000042625380 171972872 /nfs/dbraw/zinc/97/28/72/171972872.db2.gz SSAPTDJEGDCRCE-UHFFFAOYSA-N 0 0 236.340 2.931 50 0 BFAARN CCc1nc2cc(OC(F)F)ccc2[nH]1 ZINC000014807275 172012606 /nfs/dbraw/zinc/01/26/06/172012606.db2.gz MRUPOZMEBWQYNA-UHFFFAOYSA-N 0 0 212.199 2.727 50 0 BFAARN CCc1nn2c(nc(C)c(C)c2C)c1C ZINC000000087528 172045744 /nfs/dbraw/zinc/04/57/44/172045744.db2.gz JNKMYDXGDXAMJD-UHFFFAOYSA-N 0 0 203.289 2.525 50 0 BFAARN CCC1N=NC(=S)N1c1ccc(Cl)cc1 ZINC000006395534 172061858 /nfs/dbraw/zinc/06/18/58/172061858.db2.gz VUHBPEKIPLNPAK-UHFFFAOYSA-N 0 0 239.731 2.772 50 0 BFAARN CCc1noc(C)c1C(=O)OCC1CCC1 ZINC000096442564 172075754 /nfs/dbraw/zinc/07/57/54/172075754.db2.gz CURQJUJNJOOTKB-UHFFFAOYSA-N 0 0 223.272 2.502 50 0 BFAARN CCc1noc(COc2ccccc2Cl)n1 ZINC000069486400 172084420 /nfs/dbraw/zinc/08/44/20/172084420.db2.gz RMRYMCIVJBDAHE-UHFFFAOYSA-N 0 0 238.674 2.864 50 0 BFAARN CCc1noc(COc2cccc(Cl)c2)n1 ZINC000069519011 172084949 /nfs/dbraw/zinc/08/49/49/172084949.db2.gz KZEAYIAVSQGRNJ-UHFFFAOYSA-N 0 0 238.674 2.864 50 0 BFAARN CCc1noc(CN2c3ccccc3C[C@H]2C)n1 ZINC000058311855 172085409 /nfs/dbraw/zinc/08/54/09/172085409.db2.gz WUESYMDBKGWEKW-SNVBAGLBSA-N 0 0 243.310 2.583 50 0 BFAARN CCc1oc2ccccc2c1CN(C)C(=O)NC ZINC000098001864 172112741 /nfs/dbraw/zinc/11/27/41/172112741.db2.gz VRTZGXMYFOOJSJ-UHFFFAOYSA-N 0 0 246.310 2.766 50 0 BFAARN CCc1onc(C)c1NC(=O)N(C)C1CCC1 ZINC000089414644 172125596 /nfs/dbraw/zinc/12/55/96/172125596.db2.gz QOGPHNPWEYQSHX-UHFFFAOYSA-N 0 0 237.303 2.562 50 0 BFAARN CCn1c(=S)[nH]nc1-c1ccc(OC)cc1 ZINC000005686874 172130836 /nfs/dbraw/zinc/13/08/36/172130836.db2.gz NAIPWRRJIAVUOG-UHFFFAOYSA-N 0 0 235.312 2.636 50 0 BFAARN CCn1c(=S)[nH]nc1-c1ccoc1C ZINC000005686876 172130953 /nfs/dbraw/zinc/13/09/53/172130953.db2.gz RGBAHSPETWCIOA-UHFFFAOYSA-N 0 0 209.274 2.529 50 0 BFAARN CCn1c2ccc(N)cc2nc1C(F)(F)F ZINC000021948228 172135194 /nfs/dbraw/zinc/13/51/94/172135194.db2.gz MWBBSOFPIYUTMQ-UHFFFAOYSA-N 0 0 229.205 2.657 50 0 BFAARN CCn1c(Cc2ccccc2)n[nH]c1=S ZINC000000567049 172144103 /nfs/dbraw/zinc/14/41/03/172144103.db2.gz GMKFDKUHIRAVBS-UHFFFAOYSA-N 0 0 219.313 2.551 50 0 BFAARN CCn1c2ccccc2nc1SC[C@H](C)O ZINC000021523243 172147428 /nfs/dbraw/zinc/14/74/28/172147428.db2.gz YHKKFWUWDWWTRU-VIFPVBQESA-N 0 0 236.340 2.529 50 0 BFAARN CCn1cc(-c2ccc(F)c(CO)c2)c(C)n1 ZINC000067674014 172148207 /nfs/dbraw/zinc/14/82/07/172148207.db2.gz OYUABGYKLYXGIA-UHFFFAOYSA-N 0 0 234.274 2.510 50 0 BFAARN CCn1cc(-c2nnc(-c3cccs3)o2)cn1 ZINC000002800322 172150109 /nfs/dbraw/zinc/15/01/09/172150109.db2.gz HXJYTQHIMDRAFI-UHFFFAOYSA-N 0 0 246.295 2.682 50 0 BFAARN CCn1cc(NC(=O)CCc2cccs2)cn1 ZINC000065538430 172179434 /nfs/dbraw/zinc/17/94/34/172179434.db2.gz OXIINBUBXXVALZ-UHFFFAOYSA-N 0 0 249.339 2.536 50 0 BFAARN CCn1cc(NC(=O)Nc2cccc(F)c2)cn1 ZINC000048351117 172180905 /nfs/dbraw/zinc/18/09/05/172180905.db2.gz XZHAUEPKDKRAGF-UHFFFAOYSA-N 0 0 248.261 2.686 50 0 BFAARN CCn1ccc(-c2[nH]cnc2-c2ccccc2)n1 ZINC000065387241 172199999 /nfs/dbraw/zinc/19/99/99/172199999.db2.gz NTYYKSCFGPMUFY-UHFFFAOYSA-N 0 0 238.294 2.960 50 0 BFAARN CCn1cccc1-c1nc(-c2ccncc2)no1 ZINC000064551289 172202249 /nfs/dbraw/zinc/20/22/49/172202249.db2.gz QXRDEDLVDJGJGK-UHFFFAOYSA-N 0 0 240.266 2.620 50 0 BFAARN CCn1cnc(-c2ccc(Cl)cc2)cc1=O ZINC000022605035 172230386 /nfs/dbraw/zinc/23/03/86/172230386.db2.gz MMZXSQWDUICEOX-UHFFFAOYSA-N 0 0 234.686 2.584 50 0 BFAARN CCn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000000143664 172233938 /nfs/dbraw/zinc/23/39/38/172233938.db2.gz NOSGAIOQXNUEDX-QMMMGPOBSA-N 0 0 248.351 2.603 50 0 BFAARN CN(C(=O)/C=C/c1ccco1)c1ccccc1 ZINC000001697045 172293549 /nfs/dbraw/zinc/29/35/49/172293549.db2.gz ZJVHYXGLZFZWMM-MDZDMXLPSA-N 0 0 227.263 2.956 50 0 BFAARN CN(C(=O)CC[C@H]1CCCO1)c1ccccc1 ZINC000040506396 172305845 /nfs/dbraw/zinc/30/58/45/172305845.db2.gz XOALGKAFIJQYDA-CYBMUJFWSA-N 0 0 233.311 2.609 50 0 BFAARN CN(C(=O)OC(C)(C)C)c1nccs1 ZINC000095836420 172324934 /nfs/dbraw/zinc/32/49/34/172324934.db2.gz YEFAMUXMAJVGDW-UHFFFAOYSA-N 0 0 214.290 2.514 50 0 BFAARN CN(C(=O)c1ccccc1)c1ccccc1 ZINC000000029212 172342520 /nfs/dbraw/zinc/34/25/20/172342520.db2.gz LCOPCEDFGGUYRD-UHFFFAOYSA-N 0 0 211.264 2.963 50 0 BFAARN CN(C(=O)c1ccccc1N)c1ccccc1 ZINC000001688172 172343213 /nfs/dbraw/zinc/34/32/13/172343213.db2.gz PAAMPFHGRZZYDQ-UHFFFAOYSA-N 0 0 226.279 2.545 50 0 BFAARN CN(C)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000015516862 172387729 /nfs/dbraw/zinc/38/77/29/172387729.db2.gz PACABHNPFSKHPG-UHFFFAOYSA-N 0 0 240.306 2.814 50 0 BFAARN CN(C)C(=O)c1ccc(Cl)cc1Cl ZINC000001670669 172389404 /nfs/dbraw/zinc/38/94/04/172389404.db2.gz MAKRFNZHAIRMQG-UHFFFAOYSA-N 0 0 218.083 2.695 50 0 BFAARN CN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012929596 172390968 /nfs/dbraw/zinc/39/09/68/172390968.db2.gz SVJACNKKXAKJEG-UHFFFAOYSA-N 0 0 242.322 2.749 50 0 BFAARN CN(C)C(=O)c1ccccc1-c1cccc(O)c1 ZINC000032511597 172392082 /nfs/dbraw/zinc/39/20/82/172392082.db2.gz GTTWMFVYJSQWCN-UHFFFAOYSA-N 0 0 241.290 2.761 50 0 BFAARN CN(C)C(=O)c1csc(-c2ccccc2)n1 ZINC000040473708 172392705 /nfs/dbraw/zinc/39/27/05/172392705.db2.gz GZQKEHAFDBVHCU-UHFFFAOYSA-N 0 0 232.308 2.512 50 0 BFAARN CN(C)c1ccc(NC(=O)c2ccoc2)cc1 ZINC000009322904 172556511 /nfs/dbraw/zinc/55/65/11/172556511.db2.gz FEPRVVGRMJPFJJ-UHFFFAOYSA-N 0 0 230.267 2.598 50 0 BFAARN CN(Cc1cc2ccccc2o1)c1cnccn1 ZINC000301486754 172843212 /nfs/dbraw/zinc/84/32/12/172843212.db2.gz XXACBZYKJVTRGD-UHFFFAOYSA-N 0 0 239.278 2.859 50 0 BFAARN CN(Cc1ccccc1)C(=O)OCC(F)(F)F ZINC000087304551 172869605 /nfs/dbraw/zinc/86/96/05/172869605.db2.gz JGLPBENCWCGPKN-UHFFFAOYSA-N 0 0 247.216 2.817 50 0 BFAARN CN(Cc1cccnc1)C(=O)NC1CCCCC1 ZINC000074903624 172884109 /nfs/dbraw/zinc/88/41/09/172884109.db2.gz TWCZOMZURLWEEU-UHFFFAOYSA-N 0 0 247.342 2.556 50 0 BFAARN CN(c1ccc(C(F)(F)F)cn1)n1cccc1 ZINC000000165437 172946303 /nfs/dbraw/zinc/94/63/03/172946303.db2.gz ZODCOQJLFPIRGA-UHFFFAOYSA-N 0 0 241.216 2.801 50 0 BFAARN CNC(=O)Oc1ccc(Cl)cc1Cl ZINC000000398384 173293223 /nfs/dbraw/zinc/29/32/23/173293223.db2.gz QPXYEFQTSZQARV-UHFFFAOYSA-N 0 0 220.055 2.712 50 0 BFAARN CNC(=O)Oc1cccc2c(F)cc(F)cc12 ZINC000071765842 173293516 /nfs/dbraw/zinc/29/35/16/173293516.db2.gz GGLVWGSOWMWOKG-UHFFFAOYSA-N 0 0 237.205 2.836 50 0 BFAARN CNC(=O)[C@@H](C)Sc1ccccc1Cl ZINC000039982341 173295908 /nfs/dbraw/zinc/29/59/08/173295908.db2.gz GQOYWHNFLQNMSV-SSDOTTSWSA-N 0 0 229.732 2.567 50 0 BFAARN CNC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000010052705 173300189 /nfs/dbraw/zinc/30/01/89/173300189.db2.gz LDWSHYSQMNWOKX-VHSXEESVSA-N 0 0 243.228 2.555 50 0 BFAARN CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000071895988 173300340 /nfs/dbraw/zinc/30/03/40/173300340.db2.gz QSSKDZHXZOHFBL-JGVFFNPUSA-N 0 0 244.121 2.843 50 0 BFAARN CNC(=O)c1cc2c(s1)CCCCCC2 ZINC000004195948 173310263 /nfs/dbraw/zinc/31/02/63/173310263.db2.gz LJPPDKFGWUSRRE-UHFFFAOYSA-N 0 0 223.341 2.767 50 0 BFAARN CNC(=O)c1sc(Nc2ccccc2)nc1C ZINC000006367227 173314862 /nfs/dbraw/zinc/31/48/62/173314862.db2.gz KQKIYRUTYAPIFW-UHFFFAOYSA-N 0 0 247.323 2.555 50 0 BFAARN CNC(=O)c1sc(-c2ccccc2)cc1OC ZINC000058229806 173315110 /nfs/dbraw/zinc/31/51/10/173315110.db2.gz PJECFSZFAOUTAE-UHFFFAOYSA-N 0 0 247.319 2.783 50 0 BFAARN CNC(=S)C12CC3CC(CC(C3)C1)C2 ZINC000003896861 173316198 /nfs/dbraw/zinc/31/61/98/173316198.db2.gz VLQCVEVVAOHWHQ-UHFFFAOYSA-N 0 0 209.358 2.750 50 0 BFAARN CNC(=S)Nc1ccc(-c2ccccc2)cn1 ZINC000034543092 173316565 /nfs/dbraw/zinc/31/65/65/173316565.db2.gz GAUQDXJOKPYNCQ-UHFFFAOYSA-N 0 0 243.335 2.665 50 0 BFAARN COC(=O)CCSCc1ccc(C)cc1 ZINC000016970802 173565056 /nfs/dbraw/zinc/56/50/56/173565056.db2.gz WRHHPYRVOBOVLD-UHFFFAOYSA-N 0 0 224.325 2.791 50 0 BFAARN COC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000001599358 173613869 /nfs/dbraw/zinc/61/38/69/173613869.db2.gz OWLZIJMSCPKFJJ-UHFFFAOYSA-N 0 0 222.284 2.536 50 0 BFAARN COC(=O)Cc1ccc2ccccc2c1 ZINC000033822432 173642465 /nfs/dbraw/zinc/64/24/65/173642465.db2.gz BGYOCQOJCMPTCY-UHFFFAOYSA-N 0 0 200.237 2.555 50 0 BFAARN COC(=O)[C@@H](C)CSCc1ccccc1 ZINC000000396239 173676396 /nfs/dbraw/zinc/67/63/96/173676396.db2.gz VIAAAKCYRCELPR-JTQLQIEISA-N 0 0 224.325 2.729 50 0 BFAARN COC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl ZINC000004199692 173761383 /nfs/dbraw/zinc/76/13/83/173761383.db2.gz PRDLECAGOIAWMW-JTQLQIEISA-N 0 0 245.105 2.675 50 0 BFAARN COC(=O)c1cccc(-c2cccc(C)n2)c1 ZINC000065410344 173892923 /nfs/dbraw/zinc/89/29/23/173892923.db2.gz MZEYCZYYYHNSFG-UHFFFAOYSA-N 0 0 227.263 2.844 50 0 BFAARN COC(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000071373494 173893056 /nfs/dbraw/zinc/89/30/56/173893056.db2.gz OWKUDSAXXSXSKN-UHFFFAOYSA-N 0 0 233.292 2.905 50 0 BFAARN COC(=O)c1cnc(-c2ccccc2)nc1Cl ZINC000000335964 173906038 /nfs/dbraw/zinc/90/60/38/173906038.db2.gz CFHSQIFEGKNHQK-UHFFFAOYSA-N 0 0 248.669 2.584 50 0 BFAARN COC(=O)c1cnc(Cc2ccccc2)s1 ZINC000071873602 173907059 /nfs/dbraw/zinc/90/70/59/173907059.db2.gz OUGMYGHEKUAAKG-UHFFFAOYSA-N 0 0 233.292 2.521 50 0 BFAARN COC(=O)C1=NC(c2ccc(C)cc2)OC1=S ZINC000001277910 173915390 /nfs/dbraw/zinc/91/53/90/173915390.db2.gz DELDXICJODNSEN-UHFFFAOYSA-N 0 0 249.291 2.725 50 0 BFAARN COC(=O)c1nccnc1-c1ccc(Cl)cc1 ZINC000090411153 173917945 /nfs/dbraw/zinc/91/79/45/173917945.db2.gz HAGPLXHPHTWLHI-UHFFFAOYSA-N 0 0 248.669 2.584 50 0 BFAARN COCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000000402149 174058209 /nfs/dbraw/zinc/05/82/09/174058209.db2.gz WEIBZBIFXJWFFP-UHFFFAOYSA-N 0 0 241.290 2.939 50 0 BFAARN COCCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000096013890 174122290 /nfs/dbraw/zinc/12/22/90/174122290.db2.gz HULSAKWJRXDCNS-UHFFFAOYSA-N 0 0 249.354 2.850 50 0 BFAARN COCCC(=O)Nc1cccc(C)c1Cl ZINC000096443960 174137504 /nfs/dbraw/zinc/13/75/04/174137504.db2.gz WPPYWYRTLZHJSN-UHFFFAOYSA-N 0 0 227.691 2.623 50 0 BFAARN COCCCCC(=O)Nc1cccc(F)c1C ZINC000073394175 174176412 /nfs/dbraw/zinc/17/64/12/174176412.db2.gz NTRZHNGLNPJLNB-UHFFFAOYSA-N 0 0 239.290 2.889 50 0 BFAARN COCCCc1nc(-c2cccnc2)cs1 ZINC000071921683 174265838 /nfs/dbraw/zinc/26/58/38/174265838.db2.gz SIBILHYRVDXFAL-UHFFFAOYSA-N 0 0 234.324 2.784 50 0 BFAARN COCCC[S@](=O)Cc1ccccc1Cl ZINC000191206244 174265956 /nfs/dbraw/zinc/26/59/56/174265956.db2.gz ROVOAUZELNTGMR-HNNXBMFYSA-N 0 0 246.759 2.625 50 0 BFAARN COCCNc1nc(-c2ccccc2)cs1 ZINC000004188833 174341628 /nfs/dbraw/zinc/34/16/28/174341628.db2.gz NZVCXPXYRBNTIA-UHFFFAOYSA-N 0 0 234.324 2.868 50 0 BFAARN COCCSCc1nc2ccccc2o1 ZINC000095962402 174376496 /nfs/dbraw/zinc/37/64/96/174376496.db2.gz SZGRDMCUWMNXOI-UHFFFAOYSA-N 0 0 223.297 2.707 50 0 BFAARN COCC[C@@H](C)Nc1ccc(-n2ccnc2)cc1 ZINC000097037190 174385931 /nfs/dbraw/zinc/38/59/31/174385931.db2.gz NCZKJQYWZKXSCC-GFCCVEGCSA-N 0 0 245.326 2.709 50 0 BFAARN COC[C@H](C)OC(=O)c1ccc(Cl)s1 ZINC000071905100 174553721 /nfs/dbraw/zinc/55/37/21/174553721.db2.gz UAZCYUNPEAAQAN-LURJTMIESA-N 0 0 234.704 2.593 50 0 BFAARN COCc1cccc(NCc2cccnc2)c1 ZINC000036918034 174633258 /nfs/dbraw/zinc/63/32/58/174633258.db2.gz ZAJMFVXJJTZMQM-UHFFFAOYSA-N 0 0 228.295 2.840 50 0 BFAARN COCc1noc(-c2ccc(Cl)c(F)c2)n1 ZINC000096487418 174648023 /nfs/dbraw/zinc/64/80/23/174648023.db2.gz LWNPQEFCQDYGHW-UHFFFAOYSA-N 0 0 242.637 2.676 50 0 BFAARN COc1cc(C(=O)Nc2ccncc2)ccc1C ZINC000017586036 174949270 /nfs/dbraw/zinc/94/92/70/174949270.db2.gz BWCLKBAHPBHJML-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1cc(C=O)ccc1OCC(C)C ZINC000000035840 174977074 /nfs/dbraw/zinc/97/70/74/174977074.db2.gz AIAGRBSXKXJZFB-UHFFFAOYSA-N 0 0 208.257 2.543 50 0 BFAARN COc1cc(NC(=O)c2ccco2)cc(OC)c1 ZINC000000435928 175000468 /nfs/dbraw/zinc/00/04/68/175000468.db2.gz QNNRVXWYVRTTDI-UHFFFAOYSA-N 0 0 247.250 2.549 50 0 BFAARN COc1cc(OC)nc(/C=C/c2ccccc2)n1 ZINC000067561548 175011629 /nfs/dbraw/zinc/01/16/29/175011629.db2.gz ZMOFEZKHEJCODB-CMDGGOBGSA-N 0 0 242.278 2.664 50 0 BFAARN COc1cc2c(cc1OC)C(=O)CCCC2 ZINC000019726989 175023757 /nfs/dbraw/zinc/02/37/57/175023757.db2.gz NTIRRHBDKLOJTR-UHFFFAOYSA-N 0 0 220.268 2.613 50 0 BFAARN COc1cc2oc(=O)cc(C)c2cc1Cl ZINC000000278231 175029113 /nfs/dbraw/zinc/02/91/13/175029113.db2.gz OKSSQQBNCPWKGZ-UHFFFAOYSA-N 0 0 224.643 2.763 50 0 biogenic BFAARN COc1ccc(-c2cc(C=O)ccn2)cc1 ZINC000041226839 175031061 /nfs/dbraw/zinc/03/10/61/175031061.db2.gz UIHQNAJUCHLWFI-UHFFFAOYSA-N 0 0 213.236 2.570 50 0 BFAARN COc1ccc(-c2ccc(C)c(N)c2)cn1 ZINC000044272150 175032806 /nfs/dbraw/zinc/03/28/06/175032806.db2.gz CKMUHNNPHLKULG-UHFFFAOYSA-N 0 0 214.268 2.648 50 0 BFAARN COc1ccc(-c2ccc(C)nc2N)c(OC)c1 ZINC000032565229 175032857 /nfs/dbraw/zinc/03/28/57/175032857.db2.gz DGSDWXDLDYSRJF-UHFFFAOYSA-N 0 0 244.294 2.656 50 0 BFAARN COc1ccc(-c2ccc(C(N)=O)c(F)c2)cc1 ZINC000069616140 175032920 /nfs/dbraw/zinc/03/29/20/175032920.db2.gz IKHLAKWZPYHODD-UHFFFAOYSA-N 0 0 245.253 2.600 50 0 BFAARN COc1ccc(-c2ccc(O)c(C=O)c2)cc1 ZINC000016946431 175034591 /nfs/dbraw/zinc/03/45/91/175034591.db2.gz WKGITZPAFQLBOL-UHFFFAOYSA-N 0 0 228.247 2.880 50 0 BFAARN COc1ccc(-c2ccccc2C(N)=O)cc1F ZINC000032541062 175035210 /nfs/dbraw/zinc/03/52/10/175035210.db2.gz UBDABIFVFYRPSW-UHFFFAOYSA-N 0 0 245.253 2.600 50 0 BFAARN COc1ccc(-c2ccncc2)cc1C=O ZINC000039018990 175036219 /nfs/dbraw/zinc/03/62/19/175036219.db2.gz OOTSXFWEFCBQQP-UHFFFAOYSA-N 0 0 213.236 2.570 50 0 BFAARN COc1ccc(-c2n[nH]cc2C=O)cc1Cl ZINC000068561932 175037705 /nfs/dbraw/zinc/03/77/05/175037705.db2.gz ASGUODFIAVYWLG-UHFFFAOYSA-N 0 0 236.658 2.551 50 0 BFAARN COc1ccc(-c2nc(N)sc2C)cc1F ZINC000004942661 175040179 /nfs/dbraw/zinc/04/01/79/175040179.db2.gz UCQLOVVUGKHPEF-UHFFFAOYSA-N 0 0 238.287 2.848 50 0 BFAARN COc1ccc(-c2nccn2C)c2cccnc12 ZINC000096161165 175040423 /nfs/dbraw/zinc/04/04/23/175040423.db2.gz STDJPJRSXUHJNO-UHFFFAOYSA-N 0 0 239.278 2.644 50 0 BFAARN COc1ccc(/C=C/[N+](=O)[O-])c(Cl)c1OC ZINC000025726004 175048004 /nfs/dbraw/zinc/04/80/04/175048004.db2.gz PXDQNCVFROGRNW-AATRIKPKSA-N 0 0 243.646 2.605 50 0 BFAARN COc1ccc(C=Cc2n[nH]c(=S)[nH]2)cc1 ZINC000016957322 175048010 /nfs/dbraw/zinc/04/80/10/175048010.db2.gz SWKAJZUQUXPLLN-QPJJXVBHSA-N 0 0 233.296 2.646 50 0 BFAARN COc1ccc(Br)cc1F ZINC000000409296 175051372 /nfs/dbraw/zinc/05/13/72/175051372.db2.gz DWNXGZBXFDNKOR-UHFFFAOYSA-N 0 0 205.026 2.597 50 0 BFAARN COc1ccc(C(=O)NC2CCCC2)c(F)c1 ZINC000007134184 175058368 /nfs/dbraw/zinc/05/83/68/175058368.db2.gz DQPKVWSVUGIYLM-UHFFFAOYSA-N 0 0 237.274 2.507 50 0 BFAARN COc1ccc(C(=O)Nc2cccc(C)n2)cc1 ZINC000000326768 175063667 /nfs/dbraw/zinc/06/36/67/175063667.db2.gz DLBISYHVGWNYHF-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(C(=O)Nc2ncccc2C)cc1 ZINC000011535899 175064511 /nfs/dbraw/zinc/06/45/11/175064511.db2.gz WHDYNKANLGZSFT-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 BFAARN COc1ccc(C(=O)OCc2ccco2)cc1 ZINC000006787022 175065586 /nfs/dbraw/zinc/06/55/86/175065586.db2.gz UPDKVZMALAWNBJ-UHFFFAOYSA-N 0 0 232.235 2.645 50 0 BFAARN COc1ccc(C)cc1CCNC(=O)C=C(C)C ZINC000025827444 175075342 /nfs/dbraw/zinc/07/53/42/175075342.db2.gz UDAQQTQNUJAECL-UHFFFAOYSA-N 0 0 247.338 2.629 50 0 BFAARN COc1ccc(C)cc1NC(=O)c1cccn1C ZINC000067848909 175077482 /nfs/dbraw/zinc/07/74/82/175077482.db2.gz YIDATYUPKMQLSP-UHFFFAOYSA-N 0 0 244.294 2.594 50 0 BFAARN COc1ccc(C)cc1NC(=O)C(C)C ZINC000001230106 175077687 /nfs/dbraw/zinc/07/76/87/175077687.db2.gz WYLBLKGQYCXNRQ-UHFFFAOYSA-N 0 0 207.273 2.598 50 0 BFAARN COc1ccc(CC(=O)c2ccccn2)cc1 ZINC000000500129 175087607 /nfs/dbraw/zinc/08/76/07/175087607.db2.gz YGPQVDXDYXGKIN-UHFFFAOYSA-N 0 0 227.263 2.516 50 0 BFAARN COc1ccc(CNC(=O)C2CCCC2)cc1 ZINC000000375384 175103796 /nfs/dbraw/zinc/10/37/96/175103796.db2.gz ZYUUTRPXZHRTBC-UHFFFAOYSA-N 0 0 233.311 2.502 50 0 BFAARN COc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000075244063 175105072 /nfs/dbraw/zinc/10/50/72/175105072.db2.gz OVAFZCTWIMXZLF-UHFFFAOYSA-N 0 0 237.299 2.720 50 0 BFAARN COc1ccc(COC(=O)c2ccsc2)cn1 ZINC000096442952 175113741 /nfs/dbraw/zinc/11/37/41/175113741.db2.gz COQIALGDGWNGQF-UHFFFAOYSA-N 0 0 249.291 2.509 50 0 BFAARN COc1ccc(F)c(C(F)(F)F)c1C=O ZINC000091252081 175124939 /nfs/dbraw/zinc/12/49/39/175124939.db2.gz AYOBDUXUFBKTIY-UHFFFAOYSA-N 0 0 222.137 2.666 50 0 BFAARN COc1ccc(I)c(C)c1 ZINC000039406678 175135366 /nfs/dbraw/zinc/13/53/66/175135366.db2.gz QFUGOWDTHUONFO-UHFFFAOYSA-N 0 0 248.063 2.608 50 0 BFAARN COc1ccc(N(C)C(=O)c2ccco2)cc1 ZINC000000472138 175136485 /nfs/dbraw/zinc/13/64/85/175136485.db2.gz KWZIPNWXCQNQQY-UHFFFAOYSA-N 0 0 231.251 2.565 50 0 BFAARN COc1ccc(N)cc1NC(=O)c1cccs1 ZINC000020157209 175138614 /nfs/dbraw/zinc/13/86/14/175138614.db2.gz NEYGVUFMERYELP-UHFFFAOYSA-N 0 0 248.307 2.591 50 0 BFAARN COc1ccc(NC(=O)C2CCCC2)cc1 ZINC000000475204 175140927 /nfs/dbraw/zinc/14/09/27/175140927.db2.gz YKQPMEUETFVVNA-UHFFFAOYSA-N 0 0 219.284 2.824 50 0 BFAARN COc1ccc(NC(=O)CC(C)C)c(OC)c1 ZINC000000030449 175141116 /nfs/dbraw/zinc/14/11/16/175141116.db2.gz HAUFNTXBRMMGIF-UHFFFAOYSA-N 0 0 237.299 2.688 50 0 BFAARN COc1ccc(NC(=O)NC(C)C)cc1Cl ZINC000004002113 175143384 /nfs/dbraw/zinc/14/33/84/175143384.db2.gz HYMDWGHBDKRMPC-UHFFFAOYSA-N 0 0 242.706 2.879 50 0 BFAARN COc1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000000398419 175143471 /nfs/dbraw/zinc/14/34/71/175143471.db2.gz IXNHTIQNLQFRDQ-LLVKDONJSA-N 0 0 248.326 2.959 50 0 BFAARN COc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1Cl ZINC000005463857 175147603 /nfs/dbraw/zinc/14/76/03/175147603.db2.gz NFJNXCKNGOHUAQ-CBAPKCEASA-N 0 0 239.702 2.943 50 0 BFAARN COc1ccc(NC(=O)c2occc2C)cc1 ZINC000009387100 175148268 /nfs/dbraw/zinc/14/82/68/175148268.db2.gz BRNGUQKZTFNDLZ-UHFFFAOYSA-N 0 0 231.251 2.849 50 0 BFAARN COc1ccc(NCc2ccco2)cc1OC ZINC000000316924 175152217 /nfs/dbraw/zinc/15/22/17/175152217.db2.gz UZZVBYZSDQDKBX-UHFFFAOYSA-N 0 0 233.267 2.909 50 0 BFAARN COc1ccc(NCc2ccc(C)o2)cn1 ZINC000019877606 175152540 /nfs/dbraw/zinc/15/25/40/175152540.db2.gz DSNXVBNZCOYSCB-UHFFFAOYSA-N 0 0 218.256 2.604 50 0 BFAARN COc1ccc(Nc2ncc3c(n2)CCC3)cc1 ZINC000065362512 175156497 /nfs/dbraw/zinc/15/64/97/175156497.db2.gz DZTRWURGVDMWQQ-UHFFFAOYSA-N 0 0 241.294 2.718 50 0 BFAARN COc1ccc(O)c(C(=O)c2ccccc2)c1 ZINC000000336961 175157609 /nfs/dbraw/zinc/15/76/09/175157609.db2.gz RIFCEURUCJPMOQ-UHFFFAOYSA-N 0 0 228.247 2.632 50 0 BFAARN COc1ccc(OC)c(CNc2cccnc2)c1 ZINC000019884491 175166396 /nfs/dbraw/zinc/16/63/96/175166396.db2.gz CHSSHMNZPDZQDK-UHFFFAOYSA-N 0 0 244.294 2.711 50 0 BFAARN COc1ccc(OC)c([C@@H]2CCCC[C@@H]2O)c1 ZINC000001715776 175167877 /nfs/dbraw/zinc/16/78/77/175167877.db2.gz IPBLFABLABBHLF-AAEUAGOBSA-N 0 0 236.311 2.722 50 0 BFAARN COc1ccc(S[C@H](C)C(C)=O)cc1 ZINC000034980885 175174936 /nfs/dbraw/zinc/17/49/36/175174936.db2.gz AHVQLHLCUTVWLW-SECBINFHSA-N 0 0 210.298 2.765 50 0 BFAARN COc1ccc(SCc2noc(C)n2)cc1 ZINC000057709771 175175074 /nfs/dbraw/zinc/17/50/74/175175074.db2.gz ZFPHKIZAZJDEPF-UHFFFAOYSA-N 0 0 236.296 2.679 50 0 BFAARN COc1ccc([C@H]2CCCC[C@@H]2O)cc1OC ZINC000001431471 175194385 /nfs/dbraw/zinc/19/43/85/175194385.db2.gz WJLUOTSDBABMCM-NEPJUHHUSA-N 0 0 236.311 2.722 50 0 BFAARN COc1ccc2c(c1OC)CCCCC2=O ZINC000000401397 175221824 /nfs/dbraw/zinc/22/18/24/175221824.db2.gz IOVMPYNOJGIQRR-UHFFFAOYSA-N 0 0 220.268 2.613 50 0 BFAARN COc1ccc2ccccc2c1-c1cc(N)n[nH]1 ZINC000004234688 175225653 /nfs/dbraw/zinc/22/56/53/175225653.db2.gz MHPDQYCAIAIAKG-UHFFFAOYSA-N 0 0 239.278 2.821 50 0 BFAARN COc1ccc2nc(NC(=O)C3CC3)sc2c1 ZINC000000419826 175229055 /nfs/dbraw/zinc/22/90/55/175229055.db2.gz TYZQOTDNVBPGAW-UHFFFAOYSA-N 0 0 248.307 2.653 50 0 BFAARN COc1ccc2nc(SC(C)=O)nc(C)c2c1 ZINC000000182117 175229487 /nfs/dbraw/zinc/22/94/87/175229487.db2.gz OOGQAWAGWHITIV-UHFFFAOYSA-N 0 0 248.307 2.585 50 0 BFAARN COc1cccc(-c2ccncc2C=O)c1 ZINC000021148533 175234830 /nfs/dbraw/zinc/23/48/30/175234830.db2.gz FHVZBEVLBIYKKX-UHFFFAOYSA-N 0 0 213.236 2.570 50 0 biogenic BFAARN COc1cccc(-c2nc(N)sc2C)c1 ZINC000041656401 175236166 /nfs/dbraw/zinc/23/61/66/175236166.db2.gz VKYHLQQEHCPAKI-UHFFFAOYSA-N 0 0 220.297 2.709 50 0 BFAARN COc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000000947050 175237084 /nfs/dbraw/zinc/23/70/84/175237084.db2.gz UUQOVKHXRMYKDO-UHFFFAOYSA-N 0 0 243.310 2.680 50 0 BFAARN COc1cccc(-c2nsc(Cl)n2)c1 ZINC000047218927 175238663 /nfs/dbraw/zinc/23/86/63/175238663.db2.gz UHVIBQUUKBUFQN-UHFFFAOYSA-N 0 0 226.688 2.867 50 0 BFAARN COc1cccc(C(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000012341429 175243928 /nfs/dbraw/zinc/24/39/28/175243928.db2.gz AKECETWCFXSJHA-TXEJJXNPSA-N 0 0 247.338 2.813 50 0 BFAARN COc1cccc(C(=O)Nc2cccc(C)n2)c1 ZINC000000092708 175246130 /nfs/dbraw/zinc/24/61/30/175246130.db2.gz RGDXTZSZZQXINX-UHFFFAOYSA-N 0 0 242.278 2.651 50 0 in-vivo BFAARN COc1cccc(C(=O)c2ncccc2C)c1 ZINC000043616278 175246837 /nfs/dbraw/zinc/24/68/37/175246837.db2.gz PZTBRZYGPOYGQO-UHFFFAOYSA-N 0 0 227.263 2.630 50 0 BFAARN COc1cccc(C(=O)c2ccsc2)c1 ZINC000037464056 175246919 /nfs/dbraw/zinc/24/69/19/175246919.db2.gz NPAJLYAHYZLZNQ-UHFFFAOYSA-N 0 0 218.277 2.988 50 0 BFAARN COc1cccc(C(=O)Oc2ccccc2)c1 ZINC000003181321 175247489 /nfs/dbraw/zinc/24/74/89/175247489.db2.gz ZAUTUSIGKHWTSX-UHFFFAOYSA-N 0 0 228.247 2.914 50 0 BFAARN COc1cccc(CNC(=O)[C@@H]2CC=CCC2)c1 ZINC000025422553 175262677 /nfs/dbraw/zinc/26/26/77/175262677.db2.gz JIECKBPOWUGXFY-CYBMUJFWSA-N 0 0 245.322 2.668 50 0 BFAARN COc1cccc(CNc2cnccc2OC)c1 ZINC000095972283 175269107 /nfs/dbraw/zinc/26/91/07/175269107.db2.gz JCNHJEMVHFAZGA-UHFFFAOYSA-N 0 0 244.294 2.711 50 0 BFAARN COc1cccc(CSc2ncccn2)c1 ZINC000006485023 175270558 /nfs/dbraw/zinc/27/05/58/175270558.db2.gz AILGHDJQWDYIIP-UHFFFAOYSA-N 0 0 232.308 2.778 50 0 BFAARN C=CC(=O)N1CCC[C@@H]1c1cccc(OC)c1 ZINC000037829552 487630235 /nfs/dbraw/zinc/63/02/35/487630235.db2.gz AZRYKLSURDMFOQ-CYBMUJFWSA-N 0 0 231.295 2.545 50 0 BFAARN COc1cccc(N)c1C(=O)c1ccccc1 ZINC000042784264 175275206 /nfs/dbraw/zinc/27/52/06/175275206.db2.gz SMJHAUJCHKCDBX-UHFFFAOYSA-N 0 0 227.263 2.508 50 0 BFAARN COc1cccc(NC(=O)N2CCC[C@H](C)C2)c1 ZINC000013048368 175276569 /nfs/dbraw/zinc/27/65/69/175276569.db2.gz GJHWBPNYAUULQF-NSHDSACASA-N 0 0 248.326 2.959 50 0 BFAARN COc1cccc(NC(=O)c2ccccc2)c1 ZINC000000128522 175278383 /nfs/dbraw/zinc/27/83/83/175278383.db2.gz UCXCRDPOWBLPHN-UHFFFAOYSA-N 0 0 227.263 2.948 50 0 biogenic BFAARN COc1cccc(NC(=S)NCC(C)C)c1 ZINC000000459132 175278423 /nfs/dbraw/zinc/27/84/23/175278423.db2.gz WDDDNILCRWSEFX-UHFFFAOYSA-N 0 0 238.356 2.638 50 0 BFAARN COc1cccc(NC(=O)c2ccoc2C)c1 ZINC000006254742 175278433 /nfs/dbraw/zinc/27/84/33/175278433.db2.gz LSGPRQFQBPXXSH-UHFFFAOYSA-N 0 0 231.251 2.849 50 0 BFAARN COc1cccc(OCCc2c(C)n[nH]c2C)c1 ZINC000000340890 175283491 /nfs/dbraw/zinc/28/34/91/175283491.db2.gz SNFYJUATAWYARV-UHFFFAOYSA-N 0 0 246.310 2.657 50 0 BFAARN COc1cccc([C@@H](C)NC(=O)C2CCC2)c1 ZINC000006729459 175287057 /nfs/dbraw/zinc/28/70/57/175287057.db2.gz SMNHQEQOITXGKY-SNVBAGLBSA-N 0 0 233.311 2.673 50 0 BFAARN COc1cccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000005696800 175292688 /nfs/dbraw/zinc/29/26/88/175292688.db2.gz CXLVKRUTZUTCPU-KWBADKCTSA-N 0 0 233.311 2.528 50 0 BFAARN COc1cccc([C@H]2CCCCC2=O)c1 ZINC000000389801 175296072 /nfs/dbraw/zinc/29/60/72/175296072.db2.gz KACQSVYTBQDRGP-GFCCVEGCSA-N 0 0 204.269 2.922 50 0 BFAARN COc1cccc([C@H]2CCCC[C@@H]2O)c1 ZINC000001765736 175296038 /nfs/dbraw/zinc/29/60/38/175296038.db2.gz MXBZVUAIQKNHIE-OLZOCXBDSA-N 0 0 206.285 2.714 50 0 BFAARN COc1ccccc1-n1nc(C(C)(C)C)cc1N ZINC000002527279 175312779 /nfs/dbraw/zinc/31/27/79/175312779.db2.gz KPZNCKLMOFGREF-UHFFFAOYSA-N 0 0 245.326 2.761 50 0 BFAARN COc1ccccc1C(=O)N1CCC(C)CC1 ZINC000005427598 175317715 /nfs/dbraw/zinc/31/77/15/175317715.db2.gz JJGVGKONRYWSEW-UHFFFAOYSA-N 0 0 233.311 2.567 50 0 BFAARN COc1ccccc1CC(=O)Nc1ccccc1 ZINC000003480918 175321416 /nfs/dbraw/zinc/32/14/16/175321416.db2.gz GOWSCBGTYCETJN-UHFFFAOYSA-N 0 0 241.290 2.876 50 0 BFAARN COc1ccccc1NCc1ccco1 ZINC000007276564 175337368 /nfs/dbraw/zinc/33/73/68/175337368.db2.gz DSMUKPMDAGHCJJ-UHFFFAOYSA-N 0 0 203.241 2.900 50 0 BFAARN COc1ccccc1OCCn1cnc(C)c1C ZINC000089547625 175341986 /nfs/dbraw/zinc/34/19/86/175341986.db2.gz ILDILBWJYRRQFJ-UHFFFAOYSA-N 0 0 246.310 2.588 50 0 BFAARN COc1ccccc1[C@@H](C)NC(=O)c1ccco1 ZINC000009218753 175345405 /nfs/dbraw/zinc/34/54/05/175345405.db2.gz FZUSZVOFQIZJFW-SNVBAGLBSA-N 0 0 245.278 2.779 50 0 BFAARN COc1ccncc1NC(=O)CC1CCCC1 ZINC000069350401 175375875 /nfs/dbraw/zinc/37/58/75/175375875.db2.gz FLHOQNBIRUJUBG-UHFFFAOYSA-N 0 0 234.299 2.609 50 0 BFAARN COc1ncc(-c2c(C)cccc2C)c(OC)n1 ZINC000065410266 175397250 /nfs/dbraw/zinc/39/72/50/175397250.db2.gz OJGPHPBFGAHNLL-UHFFFAOYSA-N 0 0 244.294 2.778 50 0 BFAARN COc1ncc(C)cc1NC(=O)[C@H]1CC=CCC1 ZINC000098016177 175397849 /nfs/dbraw/zinc/39/78/49/175397849.db2.gz XOBSLQZQIFCLCO-NSHDSACASA-N 0 0 246.310 2.693 50 0 BFAARN CSCCC(=O)Nc1cc(F)ccc1C ZINC000012852888 175469415 /nfs/dbraw/zinc/46/94/15/175469415.db2.gz UVJDLLGIPPNXOQ-UHFFFAOYSA-N 0 0 227.304 2.826 50 0 BFAARN CSc1ccc(C(=O)Nc2cc(C)on2)cc1 ZINC000005222874 175574792 /nfs/dbraw/zinc/57/47/92/175574792.db2.gz LNWNYHILJMQALP-UHFFFAOYSA-N 0 0 248.307 2.957 50 0 BFAARN CSc1nc(Cl)cc(NC(C)C)n1 ZINC000015021625 175588005 /nfs/dbraw/zinc/58/80/05/175588005.db2.gz UFIHRHMWSNBGPR-UHFFFAOYSA-N 0 0 217.725 2.672 50 0 BFAARN CSc1nnc2c3cc(C)ccc3n(C)c2n1 ZINC000002870766 175593361 /nfs/dbraw/zinc/59/33/61/175593361.db2.gz RBGCMYDNKMHFJA-UHFFFAOYSA-N 0 0 244.323 2.547 50 0 BFAARN C[C@@H](CO)Oc1ccc2ccccc2c1 ZINC000000480894 175758992 /nfs/dbraw/zinc/75/89/92/175758992.db2.gz MIOCXGZKIFRNRK-JTQLQIEISA-N 0 0 202.253 2.599 50 0 BFAARN C[C@@H](NC(=O)c1cccc(N)c1)c1ccccc1 ZINC000000041954 175849530 /nfs/dbraw/zinc/84/95/30/175849530.db2.gz ZNBFXLWERBRCIT-LLVKDONJSA-N 0 0 240.306 2.760 50 0 BFAARN C[C@@H](NC(=O)c1ccco1)c1ccc(F)cc1 ZINC000007304185 175850853 /nfs/dbraw/zinc/85/08/53/175850853.db2.gz XULPCVZNQOJWGU-SECBINFHSA-N 0 0 233.242 2.910 50 0 BFAARN C[C@@H](O)c1ccccc1NC(=O)c1ccccc1 ZINC000034082874 176000025 /nfs/dbraw/zinc/00/00/25/176000025.db2.gz MUTYBRCSBLSQCI-LLVKDONJSA-N 0 0 241.290 2.992 50 0 BFAARN C[C@@H](OC(=O)c1ccccc1)C(F)(F)F ZINC000003200663 176001782 /nfs/dbraw/zinc/00/17/82/176001782.db2.gz QJEBGIHVFQQNJB-SSDOTTSWSA-N 0 0 218.174 2.794 50 0 BFAARN C[C@@H](SCc1ccccc1)C(=O)NC1CC1 ZINC000000566367 176009215 /nfs/dbraw/zinc/00/92/15/176009215.db2.gz ILEAALLKZCMWCI-SNVBAGLBSA-N 0 0 235.352 2.587 50 0 BFAARN C[C@@H](Sc1nnc(N)s1)c1ccccc1 ZINC000000341762 176010798 /nfs/dbraw/zinc/01/07/98/176010798.db2.gz WUTIQTORPJRSTB-SSDOTTSWSA-N 0 0 237.353 2.974 50 0 BFAARN C[C@@H](c1cc2ccccc2s1)N(O)C(N)=O ZINC000000000850 176012896 /nfs/dbraw/zinc/01/28/96/176012896.db2.gz MWLSOWXNZPKENC-ZETCQYMHSA-N 0 0 236.296 2.732 50 0 fda BFAARN C[C@@H](c1ccc(F)cc1)N1CCO[C@H](C)C1 ZINC000032865551 176015317 /nfs/dbraw/zinc/01/53/17/176015317.db2.gz QQULBPAWSHVMCJ-MNOVXSKESA-N 0 0 223.291 2.607 50 0 BFAARN C[C@@H](c1ccccc1)N1C(=O)OC(C)(C)[C@]1(C)O ZINC000000090598 176020946 /nfs/dbraw/zinc/02/09/46/176020946.db2.gz VYPJIHOZAOLARI-HZMBPMFUSA-N 0 0 249.310 2.687 50 0 BFAARN C[C@H](c1nc([C@@H]2CCOC2)no1)c1ccccc1 ZINC000252492331 176024208 /nfs/dbraw/zinc/02/42/08/176024208.db2.gz MJDFWWJHCZLUGT-CMPLNLGQSA-N 0 0 244.294 2.725 50 0 BFAARN C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000033868090 176025303 /nfs/dbraw/zinc/02/53/03/176025303.db2.gz ZOLWZYIMYQTEKB-JTQLQIEISA-N 0 0 225.719 2.733 50 0 BFAARN C[C@@H]1C(=O)C[C@H](c2ccco2)N[C@H]1c1ccco1 ZINC000019537248 176043567 /nfs/dbraw/zinc/04/35/67/176043567.db2.gz ODBXCYFSKSAVDY-GPCCPHFNSA-N 0 0 245.278 2.854 50 0 BFAARN C[C@H]1c2ccc(Br)cc2NC1=O ZINC000100322294 176047640 /nfs/dbraw/zinc/04/76/40/176047640.db2.gz ABTRLWBSKIYPKP-YFKPBYRVSA-N 0 0 226.073 2.505 50 0 BFAARN C[C@@H]1CCCCN1Cc1nc(C(C)(C)C)no1 ZINC000048341295 176074242 /nfs/dbraw/zinc/07/42/42/176074242.db2.gz DWWCIKCLIZOBKO-SNVBAGLBSA-N 0 0 237.347 2.742 50 0 BFAARN C[C@@H]1CCCC[C@H]1NC(=O)COc1ccccc1 ZINC000000388986 176086179 /nfs/dbraw/zinc/08/61/79/176086179.db2.gz HRMBSUOPIATDGS-TZMCWYRMSA-N 0 0 247.338 2.760 50 0 BFAARN C[C@@H]1CCCC[C@H]1NC(=O)CC(F)(F)F ZINC000043070927 176086792 /nfs/dbraw/zinc/08/67/92/176086792.db2.gz WHJAJWGWXYOJFY-HTQZYQBOSA-N 0 0 223.238 2.634 50 0 BFAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000239338674 176237668 /nfs/dbraw/zinc/23/76/68/176237668.db2.gz KXMYNLHMKBLLLU-RTXFEEFZSA-N 0 0 243.306 2.612 50 0 BFAARN C[C@@H]1CCc2sc(C(=O)NC3CC3)cc2C1 ZINC000008077196 176240027 /nfs/dbraw/zinc/24/00/27/176240027.db2.gz PWVDVPGEMCFCOQ-MRVPVSSYSA-N 0 0 235.352 2.765 50 0 BFAARN C[C@@H]1C[N@H+](CCC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000237446998 176286750 /nfs/dbraw/zinc/28/67/50/176286750.db2.gz WZLWUSHJUJQOJR-OCCSQVGLSA-N 0 0 247.338 2.587 50 0 BFAARN C[C@@H]1C[C@@H](C)CN(C(=O)Cc2cccs2)C1 ZINC000001456511 176360263 /nfs/dbraw/zinc/36/02/63/176360263.db2.gz BZZMDFFKTWQPAE-GHMZBOCLSA-N 0 0 237.368 2.795 50 0 BFAARN C[C@@H]1C[C@@H](Sc2ncccc2Cl)C(=O)O1 ZINC000040493677 176383738 /nfs/dbraw/zinc/38/37/38/176383738.db2.gz PXAPMOVMHCGKJK-HTRCEHHLSA-N 0 0 243.715 2.531 50 0 BFAARN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCC2CC2)o1 ZINC000027467269 176405843 /nfs/dbraw/zinc/40/58/43/176405843.db2.gz GZZFZYWRWCYFPS-FOSUXSCJSA-N 0 0 245.322 2.942 50 0 BFAARN C[C@@H]1C[C@H]1C(=O)N(C)CC1CCCCC1 ZINC000043979910 176430333 /nfs/dbraw/zinc/43/03/33/176430333.db2.gz DSAMOXVUXWYRKI-ZYHUDNBSSA-N 0 0 209.333 2.681 50 0 BFAARN C[C@@]1(C2CC2)NN=C(c2ccccc2)S1 ZINC000000432673 176529618 /nfs/dbraw/zinc/52/96/18/176529618.db2.gz NSYZZGAACDBMJT-GFCCVEGCSA-N 0 0 218.325 2.811 50 0 BFAARN C[C@@]12C[C@@H](c3ccccc3O1)N1CCSC1=N2 ZINC000003592528 176550002 /nfs/dbraw/zinc/55/00/02/176550002.db2.gz ZFZCTTNYVFIHIA-GWCFXTLKSA-N 0 0 246.335 2.645 50 0 BFAARN C[C@H](NC(=O)c1ccccc1F)c1ccco1 ZINC000008360268 176819906 /nfs/dbraw/zinc/81/99/06/176819906.db2.gz FPGIQPYXWISMEM-VIFPVBQESA-N 0 0 233.242 2.910 50 0 BFAARN C[C@H](O)c1cc(Br)cs1 ZINC000039291212 177016557 /nfs/dbraw/zinc/01/65/57/177016557.db2.gz DPTFBIIZOCHASS-BYPYZUCNSA-N 0 0 207.092 2.564 50 0 BFAARN C[C@H](O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000000383816 177017555 /nfs/dbraw/zinc/01/75/55/177017555.db2.gz INEZYUZGFVKXPD-NSHDSACASA-N 0 0 241.290 2.992 50 0 BFAARN C[C@H](OC(=O)c1ccccc1)C(F)(F)F ZINC000003200661 177020309 /nfs/dbraw/zinc/02/03/09/177020309.db2.gz QJEBGIHVFQQNJB-ZETCQYMHSA-N 0 0 218.174 2.794 50 0 BFAARN C[C@H](c1ccccn1)N(C)Cc1cncs1 ZINC000097058763 177042314 /nfs/dbraw/zinc/04/23/14/177042314.db2.gz FZUHMAYEVUJOKB-SNVBAGLBSA-N 0 0 233.340 2.731 50 0 BFAARN C[C@H](c1ccccn1)[N@H+](C)CCc1ccncc1 ZINC000097051114 177042767 /nfs/dbraw/zinc/04/27/67/177042767.db2.gz WWUKJJDVJQLRCE-CYBMUJFWSA-N 0 0 241.338 2.712 50 0 BFAARN C[C@H](c1nc(-c2cccs2)no1)n1cccn1 ZINC000020601793 177052436 /nfs/dbraw/zinc/05/24/36/177052436.db2.gz DTMCLMJHDQIQNR-MRVPVSSYSA-N 0 0 246.295 2.604 50 0 BFAARN C[C@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccccc1 ZINC000000247229 177056275 /nfs/dbraw/zinc/05/62/75/177056275.db2.gz ALAYLHOMFJAZKV-MWLCHTKSSA-N 0 0 232.279 2.516 50 0 BFAARN C[C@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccccc1 ZINC000000247224 177056312 /nfs/dbraw/zinc/05/63/12/177056312.db2.gz ALAYLHOMFJAZKV-KOLCDFICSA-N 0 0 232.279 2.516 50 0 BFAARN C[C@H]1Sc2ccccc2NC(=O)[C@@H]1C ZINC000004336418 177060108 /nfs/dbraw/zinc/06/01/08/177060108.db2.gz GTUFEXDPRZPSSZ-HTQZYQBOSA-N 0 0 207.298 2.755 50 0 BFAARN C[C@H]1C(=O)O[C@@H](c2ccccc2)C(C)(C)C1=O ZINC000000194874 177060709 /nfs/dbraw/zinc/06/07/09/177060709.db2.gz UMJRKBNYWMJTJT-SKDRFNHKSA-N 0 0 232.279 2.516 50 0 BFAARN C[C@@H]1c2ccc(Br)cc2NC1=O ZINC000004963158 177060715 /nfs/dbraw/zinc/06/07/15/177060715.db2.gz ABTRLWBSKIYPKP-RXMQYKEDSA-N 0 0 226.073 2.505 50 0 BFAARN C[C@H]1CC2=C(CC1(CO)CO)C(C)(C)CCC2 ZINC000000360705 177068076 /nfs/dbraw/zinc/06/80/76/177068076.db2.gz CHMPDCQZTABMHZ-NSHDSACASA-N 0 0 238.371 2.894 50 0 biogenic BFAARN C[C@H]1CCCCN1C(=O)c1ccc(F)c(F)c1 ZINC000000444560 177073543 /nfs/dbraw/zinc/07/35/43/177073543.db2.gz QKPHMSFLFGGVDU-VIFPVBQESA-N 0 0 239.265 2.979 50 0 BFAARN C[C@H]1CCCCN1Cc1nnc(-c2ccco2)o1 ZINC000058013789 177078366 /nfs/dbraw/zinc/07/83/66/177078366.db2.gz DVAOUVRCSOEBRD-JTQLQIEISA-N 0 0 247.298 2.704 50 0 BFAARN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccoc1 ZINC000032787804 177080463 /nfs/dbraw/zinc/08/04/63/177080463.db2.gz ZVAFQZJUJIITQD-JQWIXIFHSA-N 0 0 221.300 2.930 50 0 BFAARN C[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000032747702 177091581 /nfs/dbraw/zinc/09/15/81/177091581.db2.gz PDQUUMDIZMXOOE-NWDGAFQWSA-N 0 0 207.317 2.601 50 0 BFAARN C[C@H]1CCCN(C(=O)c2ccc(Cl)nc2)C1 ZINC000001463523 177094280 /nfs/dbraw/zinc/09/42/80/177094280.db2.gz HRVYSCHTBOJEOY-VIFPVBQESA-N 0 0 238.718 2.607 50 0 BFAARN C[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000000029757 177094409 /nfs/dbraw/zinc/09/44/09/177094409.db2.gz JOEUOTUBSKBWPN-JTQLQIEISA-N 0 0 221.275 2.698 50 0 BFAARN C[C@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000065549026 177094752 /nfs/dbraw/zinc/09/47/52/177094752.db2.gz YTGOPHAGXBSSKO-JTQLQIEISA-N 0 0 247.342 2.549 50 0 BFAARN C[C@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000019813409 177094999 /nfs/dbraw/zinc/09/49/99/177094999.db2.gz PUQGZFKUNICEDQ-VIFPVBQESA-N 0 0 238.718 2.607 50 0 BFAARN C[C@H]1CCCN(CC(=O)c2ccccc2F)C1 ZINC000003306803 177096532 /nfs/dbraw/zinc/09/65/32/177096532.db2.gz NCUQLIHPAJDEAY-NSHDSACASA-N 0 0 235.302 2.740 50 0 BFAARN C[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000036644457 177101568 /nfs/dbraw/zinc/10/15/68/177101568.db2.gz WKWQQYZEOKAZRA-VIFPVBQESA-N 0 0 239.340 2.678 50 0 BFAARN C[C@H]1CCC[C@]2(C1)Nc1ccccc1C(=O)N2 ZINC000066128179 177128222 /nfs/dbraw/zinc/12/82/22/177128222.db2.gz QFNGBFKANBGZQH-HZMBPMFUSA-N 0 0 230.311 2.748 50 0 BFAARN C[C@H]1CCC[C@H](C)N1C(=O)c1ccccc1N ZINC000000309804 177131542 /nfs/dbraw/zinc/13/15/42/177131542.db2.gz ZNDUKWZNBHOKHB-QWRGUYRKSA-N 0 0 232.327 2.672 50 0 BFAARN C[C@@H]1CC[C@H](C)N(C(=O)[C@H]2CCCS2)C1 ZINC000341951024 177183183 /nfs/dbraw/zinc/18/31/83/177183183.db2.gz UJJYIJHLRJPAHB-OUAUKWLOSA-N 0 0 227.373 2.529 50 0 BFAARN C[C@H]1C[N@H+](CCCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000299753677 177247441 /nfs/dbraw/zinc/24/74/41/177247441.db2.gz YYGVVKJGQUULKB-FZMZJTMJSA-N 0 0 233.311 2.544 50 0 BFAARN C[C@@H]1C[C@H](C)CN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000245202901 177310839 /nfs/dbraw/zinc/31/08/39/177310839.db2.gz XBRHKOKFAOVBSD-FRRDWIJNSA-N 0 0 221.344 2.847 50 0 BFAARN C[C@H]1C[C@@H]1c1nc(-c2cnc3ccccn23)no1 ZINC000225553434 177351961 /nfs/dbraw/zinc/35/19/61/177351961.db2.gz LNMPVLLCUBCXLA-IUCAKERBSA-N 0 0 240.266 2.508 50 0 BFAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2F)C1 ZINC000000029731 177357292 /nfs/dbraw/zinc/35/72/92/177357292.db2.gz ISFAADVEKICCHK-QWRGUYRKSA-N 0 0 235.302 2.944 50 0 BFAARN C[C@H]1C[C@H]1C(=O)NC1CCCCCCC1 ZINC000013329323 177376411 /nfs/dbraw/zinc/37/64/11/177376411.db2.gz SEFREKPHHHXHTH-CMPLNLGQSA-N 0 0 209.333 2.872 50 0 BFAARN C[C@H]1C[C@H]1C(=O)Nc1cccc2cccnc21 ZINC000012972115 177376848 /nfs/dbraw/zinc/37/68/48/177376848.db2.gz PIEGJDNAXPKJAG-GXSJLCMTSA-N 0 0 226.279 2.829 50 0 BFAARN C[C@H]1C[C@H]1C(=O)NCc1ccc(Cl)s1 ZINC000025521846 177376995 /nfs/dbraw/zinc/37/69/95/177376995.db2.gz RTIWXPPOCRZDDI-POYBYMJQSA-N 0 0 229.732 2.674 50 0 BFAARN C[C@H]1C[C@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000025560564 177377234 /nfs/dbraw/zinc/37/72/34/177377234.db2.gz QAFGZNIKOOFRDJ-POYBYMJQSA-N 0 0 222.313 2.615 50 0 BFAARN C[C@H]1C[C@H]1NC(=O)c1ncoc1-c1cccs1 ZINC000069702381 177385897 /nfs/dbraw/zinc/38/58/97/177385897.db2.gz PVYXXYHNJTZART-JGVFFNPUSA-N 0 0 248.307 2.541 50 0 BFAARN C[C@@H]1C[C@@H]1C(=O)N1c2ccccc2C[C@@H]1C ZINC000032975279 177390834 /nfs/dbraw/zinc/39/08/34/177390834.db2.gz LJAPGMXRDZGHSK-SCVCMEIPSA-N 0 0 215.296 2.620 50 0 BFAARN C[C@H]1[C@@H](c2ccccc2)CCN1c1cnccn1 ZINC000267574414 177422220 /nfs/dbraw/zinc/42/22/20/177422220.db2.gz XWKLFHKWBAZNMJ-JSGCOSHPSA-N 0 0 239.322 2.859 50 0 BFAARN C[C@H]1c2cc3ccccc3cc2S1(=O)=O ZINC000045027656 177437265 /nfs/dbraw/zinc/43/72/65/177437265.db2.gz SLHSKYQPKSHENQ-QMMMGPOBSA-N 0 0 218.277 2.688 50 0 BFAARN C[C@H]1c2ccsc2CCN1C(=O)C1CC1 ZINC000032781419 177440040 /nfs/dbraw/zinc/44/00/40/177440040.db2.gz PFDOIQIRVHGUAZ-QMMMGPOBSA-N 0 0 221.325 2.604 50 0 BFAARN Cc1[nH]c2ccc(O)cc2c1C(=O)OC(C)C ZINC000040165593 177511399 /nfs/dbraw/zinc/51/13/99/177511399.db2.gz AJWSCYJIOFQSEJ-UHFFFAOYSA-N 0 0 233.267 2.747 50 0 BFAARN Cc1c(F)c(F)cc(C2=NC(C)(C)CO2)c1F ZINC000034454699 177604568 /nfs/dbraw/zinc/60/45/68/177604568.db2.gz SLWCAJZXIPUHCV-UHFFFAOYSA-N 0 0 243.228 2.968 50 0 BFAARN CC[C@@H]1[C@H](C)C[C@@H]2[C@H]3CCC(=O)[C@H]3C[C@H](O)[C@@H]12 ZINC000071786377 262790738 /nfs/dbraw/zinc/79/07/38/262790738.db2.gz LJCJWLCWXYGYFD-XJIFNNGISA-N 0 0 236.355 2.645 50 0 BFAARN O=C(c1noc2c1CCCCC2)N1CCCCC1 ZINC000007000039 487763601 /nfs/dbraw/zinc/76/36/01/487763601.db2.gz BGQGADXNFGJYKK-UHFFFAOYSA-N 0 0 248.326 2.570 50 0 BFAARN CC/C=C(\C)C(=O)NCc1cccc(OC)c1 ZINC000046042121 487870940 /nfs/dbraw/zinc/87/09/40/487870940.db2.gz LPVDDCAADGMNKR-IZZDOVSWSA-N 0 0 233.311 2.668 50 0 BFAARN CC(=O)[C@@H]1CC=C(Br)CC1 ZINC000085483017 322961616 /nfs/dbraw/zinc/96/16/16/322961616.db2.gz MFZYGUCXBQSIAS-SSDOTTSWSA-N 0 0 203.079 2.654 50 0 BFAARN CC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001594419 322810472 /nfs/dbraw/zinc/81/04/72/322810472.db2.gz WMEOMAYOFHGZIF-UHFFFAOYSA-N 0 0 226.275 2.512 50 0 BFAARN Cc1occc1C(=O)N(C)C1CCCCC1 ZINC000053574216 323077164 /nfs/dbraw/zinc/07/71/64/323077164.db2.gz XKCTVZIAYZJSHW-UHFFFAOYSA-N 0 0 221.300 2.993 50 0 BFAARN O=C(c1ccccc1)N1CCCCCCC1=O ZINC000039646516 323236425 /nfs/dbraw/zinc/23/64/25/323236425.db2.gz GKEQHVWNPDVHMC-UHFFFAOYSA-N 0 0 231.295 2.620 50 0 BFAARN C=CCOC(=O)OC1=CC(=O)[C@H](C)CCC1 ZINC000043198608 323236753 /nfs/dbraw/zinc/23/67/53/323236753.db2.gz AMQMIGYDWJAPTE-SECBINFHSA-N 0 0 224.256 2.599 50 0 BFAARN Cc1occc1SCC(=O)N(C)CC1CC1 ZINC000131298686 325135189 /nfs/dbraw/zinc/13/51/89/325135189.db2.gz VSPOBLTYBIWHRO-UHFFFAOYSA-N 0 0 239.340 2.549 50 0 BFAARN O=C(OCc1nc(C2CC2)cs1)c1ccoc1 ZINC000091142102 488032696 /nfs/dbraw/zinc/03/26/96/488032696.db2.gz WPMABYJRXDOBCH-UHFFFAOYSA-N 0 0 249.291 2.971 50 0 BFAARN O=C(OCC[C@H]1CCCO1)c1cccc(F)c1 ZINC000084372021 488047533 /nfs/dbraw/zinc/04/75/33/488047533.db2.gz HJEMVJIDEKDIHW-GFCCVEGCSA-N 0 0 238.258 2.552 50 0 BFAARN Nc1nc2c(ccc3c2CCCC3)s1 ZINC000000026450 487470714 /nfs/dbraw/zinc/47/07/14/487470714.db2.gz ZNNICKYRKHFDDV-UHFFFAOYSA-N 0 0 204.298 2.757 50 0 BFAARN COc1ccccc1Cc1nnc(C2CCC2)[nH]1 ZINC000670437952 487487690 /nfs/dbraw/zinc/48/76/90/487487690.db2.gz DVIKMJFWWKMKJU-UHFFFAOYSA-N 0 0 243.310 2.672 50 0 BFAARN COCc1nc(-c2csc3c2CCCC3)n[nH]1 ZINC000670445992 487493359 /nfs/dbraw/zinc/49/33/59/487493359.db2.gz BSGDEOYRJMPAIB-UHFFFAOYSA-N 0 0 249.339 2.558 50 0 BFAARN Cc1ccc(OC2CN([C@H]3CCSC3)C2)cc1 ZINC000670449815 487501808 /nfs/dbraw/zinc/50/18/08/487501808.db2.gz DJNREQJHUGALPO-LBPRGKRZSA-N 0 0 249.379 2.564 50 0 BFAARN CCCCNc1nc2cccnc2s1 ZINC000004367096 487503681 /nfs/dbraw/zinc/50/36/81/487503681.db2.gz CAISUURRTUXNQZ-UHFFFAOYSA-N 0 0 207.302 2.903 50 0 BFAARN Cc1nnc(NCc2ccccc2Cl)o1 ZINC000095976656 487776190 /nfs/dbraw/zinc/77/61/90/487776190.db2.gz SBHOTBHDHGWKNG-UHFFFAOYSA-N 0 0 223.663 2.644 50 0 BFAARN C[C@H](OCC1CC1)C(=O)OC1CCCCC1 ZINC000120227396 488150871 /nfs/dbraw/zinc/15/08/71/488150871.db2.gz OUUDDYTZQFINIW-JTQLQIEISA-N 0 0 226.316 2.677 50 0 BFAARN CC(=O)c1sc(NCC2CCC2)nc1C ZINC000063630394 488177767 /nfs/dbraw/zinc/17/77/67/488177767.db2.gz OEQSFJNKABNTMS-UHFFFAOYSA-N 0 0 224.329 2.866 50 0 BFAARN CC(C)N(Cc1cscn1)Cc1ccccn1 ZINC000048253426 490176718 /nfs/dbraw/zinc/17/67/18/490176718.db2.gz AGOBAHIKBVSQQF-UHFFFAOYSA-N 0 0 247.367 2.949 50 0 BFAARN CC(F)(F)c1ccc(Br)nc1 ZINC000077011098 490326834 /nfs/dbraw/zinc/32/68/34/490326834.db2.gz LWABLOQAGMPPFX-UHFFFAOYSA-N 0 0 222.032 2.956 50 0 BFAARN CC(=O)c1cccc(COC(=O)c2ccoc2)c1 ZINC000089331310 518421056 /nfs/dbraw/zinc/42/10/56/518421056.db2.gz PALGBLDKCHAWSP-UHFFFAOYSA-N 0 0 244.246 2.839 50 0 BFAARN CC(C)[C@@H]1OC[C@@H]2Cc3ccccc3[C@H]2O1 ZINC000245377621 519807494 /nfs/dbraw/zinc/80/74/94/519807494.db2.gz NOBNLHDWQDMAEA-FPMFFAJLSA-N 0 0 218.296 2.929 50 0 biogenic BFAARN CCCCCCNC(=O)Cc1cccs1 ZINC000002743558 520086311 /nfs/dbraw/zinc/08/63/11/520086311.db2.gz INAPEAREYPRSNR-UHFFFAOYSA-N 0 0 225.357 2.987 50 0 BFAARN CCCC[C@H](CC)[C@H](O)[C@@H](C)[C@H](C)O ZINC000253611612 521183116 /nfs/dbraw/zinc/18/31/16/521183116.db2.gz LJGRJTMTDBCJEG-FIQHERPVSA-N 0 0 202.338 2.581 50 0 BFAARN CCOc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000244842361 521254711 /nfs/dbraw/zinc/25/47/11/521254711.db2.gz UPIVXKPPLYIXHK-UHIISALHSA-N 0 0 247.338 2.919 50 0 BFAARN COC[C@H](NCc1ccc(C)o1)c1ccc(C)o1 ZINC000078975468 522748724 /nfs/dbraw/zinc/74/87/24/522748724.db2.gz PLXVAVXHVDNDLR-ZDUSSCGKSA-N 0 0 249.310 2.967 50 0 BFAARN COCCCCC(=O)NC/C=C/c1ccccc1 ZINC000071902895 523095255 /nfs/dbraw/zinc/09/52/55/523095255.db2.gz WPVLXNVFQSEIDO-JXMROGBWSA-N 0 0 247.338 2.633 50 0 BFAARN C[S@](=O)/C(Cl)=C/c1cccs1 ZINC000252508110 525380064 /nfs/dbraw/zinc/38/00/64/525380064.db2.gz XDCGAOUMMVCFIZ-ZRQQLDRUSA-N 0 0 206.719 2.664 50 0 BFAARN CCCN1CCCc2cc(C=O)ccc21 ZINC000004478369 534913793 /nfs/dbraw/zinc/91/37/93/534913793.db2.gz BLVSBKBIMXVVOY-UHFFFAOYSA-N 0 0 203.285 2.662 50 0 BFAARN Cc1cnn(CCCOCCc2ccccc2)c1 ZINC000089702484 526261507 /nfs/dbraw/zinc/26/15/07/526261507.db2.gz IQNNEFROFOMPLL-UHFFFAOYSA-N 0 0 244.338 2.841 50 0 BFAARN c1ccc(SCc2nc(C3CC3)no2)nc1 ZINC000040066959 526489530 /nfs/dbraw/zinc/48/95/30/526489530.db2.gz PIEDXFIQXBWOPL-UHFFFAOYSA-N 0 0 233.296 2.634 50 0 BFAARN Clc1cnc(N2CCC(=C3CC3)CC2)nc1 ZINC000253409153 526997140 /nfs/dbraw/zinc/99/71/40/526997140.db2.gz ZOHCMMKOLGAOOW-UHFFFAOYSA-N 0 0 235.718 2.821 50 0 BFAARN CCC(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 ZINC000075403645 535317842 /nfs/dbraw/zinc/31/78/42/535317842.db2.gz NQTXCOUQKZLRON-QMMMGPOBSA-N 0 0 239.702 2.864 50 0 BFAARN COc1ccccc1N=c1scc(C)n1C ZINC000263608300 537076946 /nfs/dbraw/zinc/07/69/46/537076946.db2.gz TUTOJNRLMBSQCP-UHFFFAOYSA-N 0 0 234.324 2.636 50 0 BFAARN C/C=C/COC(=O)CSC(C)(C)C ZINC000096999653 537908200 /nfs/dbraw/zinc/90/82/00/537908200.db2.gz SVPFAWQSTZHTNU-AATRIKPKSA-N 0 0 202.319 2.637 50 0 BFAARN CC(C)(C)OCCOCCC(=O)OC(C)(C)C ZINC000160994575 566325844 /nfs/dbraw/zinc/32/58/44/566325844.db2.gz JRSVIJLNFRRZLA-UHFFFAOYSA-N 0 0 246.347 2.550 50 0 BFAARN CC(C)C[C@@H](C(=O)NC(C)C)n1cccc1 ZINC000888104981 583185178 /nfs/dbraw/zinc/18/51/78/583185178.db2.gz SVSDEOXGUSMAMP-LBPRGKRZSA-N 0 0 222.332 2.600 50 0 BFAARN COc1cc(-c2ccc(C=O)cc2C)ccn1 ZINC000122662959 582965838 /nfs/dbraw/zinc/96/58/38/582965838.db2.gz YYBOHTXLHDCPDM-UHFFFAOYSA-N 0 0 227.263 2.878 50 0 BFAARN C=CC(=O)Nc1ccnc(OC2CCCCC2)c1 ZINC000888098795 583181173 /nfs/dbraw/zinc/18/11/73/583181173.db2.gz QFCZDBYASLWVSN-UHFFFAOYSA-N 0 0 246.310 2.918 50 0 BFAARN C=CC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000791380404 585979733 /nfs/dbraw/zinc/97/97/33/585979733.db2.gz QPJRATHUJYSWIM-LKFCYVNXSA-N 0 0 233.286 2.751 50 0 BFAARN C=CC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000848979434 588422331 /nfs/dbraw/zinc/42/23/31/588422331.db2.gz WMKVOZSWMDJNSZ-PWSUYJOCSA-N 0 0 233.286 2.716 50 0 BFAARN C=CC(=O)NCc1c(C)oc2ccccc21 ZINC000863970409 589329762 /nfs/dbraw/zinc/32/97/62/589329762.db2.gz IMDPWMRKBGMUFY-UHFFFAOYSA-N 0 0 215.252 2.543 50 0 BFAARN C=CC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000863971437 589330482 /nfs/dbraw/zinc/33/04/82/589330482.db2.gz TUAAYBWBFLUPRK-LBPRGKRZSA-N 0 0 249.285 2.684 50 0 BFAARN C=CC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000863971384 589330640 /nfs/dbraw/zinc/33/06/40/589330640.db2.gz QZPSTAIWTALKPD-RBSFLKMASA-N 0 0 241.334 2.967 50 0 BFAARN COCc1nccc(NCc2sccc2C)n1 ZINC000871002185 589709001 /nfs/dbraw/zinc/70/90/01/589709001.db2.gz MXPJRBHRETTZLC-UHFFFAOYSA-N 0 0 249.339 2.605 50 0 BFAARN CCn1nccc1-c1n[nH]c(C)c1C(F)(F)F ZINC000871010842 589710687 /nfs/dbraw/zinc/71/06/87/589710687.db2.gz JUWFGQHBRGEGRS-UHFFFAOYSA-N 0 0 244.220 2.620 50 0 BFAARN C/C=C(/F)C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000885971546 592118650 /nfs/dbraw/zinc/11/86/50/592118650.db2.gz NOCJOUWGVCSRJJ-KLVUZYOQSA-N 0 0 249.285 2.890 50 0 BFAARN O=C1NCC/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000075172884 592312457 /nfs/dbraw/zinc/31/24/57/592312457.db2.gz FHSYOTAYRALNBW-VQHVLOKHSA-N 0 0 241.212 2.609 50 0 BFAARN O=c1c2ccccc2ncn1-c1ccccc1F ZINC000000032602 631288442 /nfs/dbraw/zinc/28/84/42/631288442.db2.gz UQQDBFGCCOCPAG-UHFFFAOYSA-N 0 0 240.237 2.525 50 0 BFAARN CO[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000000032167 631288459 /nfs/dbraw/zinc/28/84/59/631288459.db2.gz SMGKQBBUCCCFBY-OAHLLOKOSA-N 0 0 241.290 2.762 50 0 BFAARN Cc1cc(C)n(-c2ccc(C=O)c(C)c2)n1 ZINC000050575431 632020642 /nfs/dbraw/zinc/02/06/42/632020642.db2.gz NZLPNXGOJDFNAZ-UHFFFAOYSA-N 0 0 214.268 2.610 50 0 BFAARN CCOc1ncccc1-c1c(C)nn(CC)c1C ZINC000426395407 635699517 /nfs/dbraw/zinc/69/95/17/635699517.db2.gz PZABYVAHMZJCLJ-UHFFFAOYSA-N 0 0 245.326 2.981 50 0 BFAARN Cc1nn(C(F)F)cc1-c1cccnc1 ZINC000426597183 635734252 /nfs/dbraw/zinc/73/42/52/635734252.db2.gz GOHJTZDROYPGMJ-UHFFFAOYSA-N 0 0 209.199 2.649 50 0 BFAARN Cc1ccc(NC(=O)[C@H](C)n2cccc2)cc1 ZINC000888103916 635385012 /nfs/dbraw/zinc/38/50/12/635385012.db2.gz KTELVWUHMCXASP-LBPRGKRZSA-N 0 0 228.295 2.996 50 0 BFAARN CCOC(=O)/C=C1\CCc2c1cccc2C ZINC000147300613 635818716 /nfs/dbraw/zinc/81/87/16/635818716.db2.gz JUSSDDFFZXUUFZ-PKNBQFBNSA-N 0 0 216.280 2.888 50 0 BFAARN COc1ccc2ccc([C@H](C)CO)cc2c1 ZINC000167663012 640740577 /nfs/dbraw/zinc/74/05/77/640740577.db2.gz SFQZDMDISBKQMU-SNVBAGLBSA-N 0 0 216.280 2.944 50 0 BFAARN Cc1cc(Br)cc(N)c1OCCF ZINC000087774158 641026063 /nfs/dbraw/zinc/02/60/63/641026063.db2.gz RVEIVQSOJQXNGO-UHFFFAOYSA-N 0 0 248.095 2.688 50 0 BFAARN Cc1cc(-c2cn[nH]c2)c2ccccc2n1 ZINC000032533097 641353799 /nfs/dbraw/zinc/35/37/99/641353799.db2.gz DRXDRQQHQGWCOY-UHFFFAOYSA-N 0 0 209.252 2.933 50 0 BFAARN O=C(/C=C\c1cccs1)NC1CCCC1 ZINC000033405286 642130687 /nfs/dbraw/zinc/13/06/87/642130687.db2.gz NDBJCGVOOJBEPO-FPLPWBNLSA-N 0 0 221.325 2.820 50 0 BFAARN C[C@H](CCCC(C)(C)O)C[C@@H]1OC[C@H](C)O1 ZINC000000295522 642766828 /nfs/dbraw/zinc/76/68/28/642766828.db2.gz AKZXNDJMPSPJQM-GRYCIOLGSA-N 0 0 230.348 2.715 50 0 BFAARN CC1(C)CN2C(c3ccc(Cl)cc3)N2C1 ZINC000019169536 643039439 /nfs/dbraw/zinc/03/94/39/643039439.db2.gz GRLMWLSCQPITMV-UHFFFAOYSA-N 0 0 222.719 2.911 50 0 BFAARN CCCCN1CCc2c3ccccc3[nH]c2C1=O ZINC000002495642 643139967 /nfs/dbraw/zinc/13/99/67/643139967.db2.gz GMTVDMHBAFKTOI-UHFFFAOYSA-N 0 0 242.322 2.966 50 0 aggregator BFAARN C/C(=C/C(=O)NCc1cc(C)on1)C(C)(C)C ZINC000078932391 643140903 /nfs/dbraw/zinc/14/09/03/643140903.db2.gz NEZYTEBLGQCUQE-TWGQIWQCSA-N 0 0 236.315 2.592 50 0 BFAARN Cc1cc(-c2cnc3ccccc3c2)nc(N)n1 ZINC000019144654 643296668 /nfs/dbraw/zinc/29/66/68/643296668.db2.gz MNAMGOVMSLIVMF-UHFFFAOYSA-N 0 0 236.278 2.582 50 0 BFAARN Cc1cc(C(=O)N2CCCC[C@@H]2C)c(C)n1C ZINC000298271255 643607445 /nfs/dbraw/zinc/60/74/45/643607445.db2.gz JKCNDFSCBRBMJX-JTQLQIEISA-N 0 0 234.343 2.657 50 0 BFAARN CCC[C@@H]1CN(c2ccccc2)CCC1=O ZINC000231157254 643635742 /nfs/dbraw/zinc/63/57/42/643635742.db2.gz AIAZZXROARFTME-GFCCVEGCSA-N 0 0 217.312 2.882 50 0 BFAARN Fc1ccc(C=Cc2n[nH]c(=S)[nH]2)cc1 ZINC000083314897 644404703 /nfs/dbraw/zinc/40/47/03/644404703.db2.gz PFXVFTIGERGZIQ-UTCJRWHESA-N 0 0 221.260 2.777 50 0 BFAARN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc2n1CCCC2 ZINC000952991993 644449476 /nfs/dbraw/zinc/44/94/76/644449476.db2.gz HIBZIOPIJPNMKP-JQWIXIFHSA-N 0 0 249.358 2.533 50 0 BFAARN CC(C)(C)OC(=O)N[C@@H]1CO[C@H]1c1ccccc1 ZINC000952992355 644449762 /nfs/dbraw/zinc/44/97/62/644449762.db2.gz KPUGRXZBDTYJQP-NEPJUHHUSA-N 0 0 249.310 2.651 50 0 BFAARN Cc1cc(C(=O)C2CC2)c(C)c(C)c1O ZINC000088120888 644509410 /nfs/dbraw/zinc/50/94/10/644509410.db2.gz RQRDQYYIESLPFR-UHFFFAOYSA-N 0 0 204.269 2.910 50 0 BFAARN OCc1ccncc1NC/C=C/c1ccccc1 ZINC000095978122 644785061 /nfs/dbraw/zinc/78/50/61/644785061.db2.gz XQXCKPCGMSQXLT-QPJJXVBHSA-N 0 0 240.306 2.699 50 0 BFAARN O=C1CC2(CCCCC2)Oc2cc(O)cc(O)c21 ZINC000034477942 645408590 /nfs/dbraw/zinc/40/85/90/645408590.db2.gz RJIBQCUXRPWOCQ-UHFFFAOYSA-N 0 0 248.278 2.766 50 0 BFAARN Nc1nc2c(s1)C[C@H]1CCCC[C@@H]1C2 ZINC000034617907 645607192 /nfs/dbraw/zinc/60/71/92/645607192.db2.gz JHUMDYXYRRVVRQ-HTQZYQBOSA-N 0 0 208.330 2.630 50 0 BFAARN Cn1nc(-c2ccc(Cl)cc2Cl)cc1N ZINC000011851210 645635544 /nfs/dbraw/zinc/63/55/44/645635544.db2.gz JFGKYDDRATZVJW-UHFFFAOYSA-N 0 0 242.109 2.976 50 0 BFAARN C=CC(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000142376970 712342149 /nfs/dbraw/zinc/34/21/49/712342149.db2.gz KAXFYNCRAWYANC-CYBMUJFWSA-N 0 0 215.296 2.926 50 0 BFAARN CC(C)c1nnc2sc([C@@H]3CC34CCC4)nn21 ZINC000071755295 711088196 /nfs/dbraw/zinc/08/81/96/711088196.db2.gz PGHUVLVTNWQZAC-QMMMGPOBSA-N 0 0 248.355 2.967 50 0 BFAARN O[C@H]1CCCC[C@H]1N1CCCc2ccccc21 ZINC000037693774 711481262 /nfs/dbraw/zinc/48/12/62/711481262.db2.gz YYBGJBFHLQOMBN-CABCVRRESA-N 0 0 231.339 2.743 50 0 BFAARN C[C@H]1CCC(=O)C[C@H]1OCc1ccco1 ZINC000725359202 711664114 /nfs/dbraw/zinc/66/41/14/711664114.db2.gz CFXRZHPGMXGUEQ-JOYOIKCWSA-N 0 0 208.257 2.554 50 0 BFAARN COc1ccc(-c2ccn(C(C)C)n2)cn1 ZINC000114116371 712689367 /nfs/dbraw/zinc/68/93/67/712689367.db2.gz CDTHWQBHUMVEAO-UHFFFAOYSA-N 0 0 217.272 2.535 50 0 BFAARN O[C@H]1CCCC[C@@H]1N1CCCc2ccccc21 ZINC000037693775 712741775 /nfs/dbraw/zinc/74/17/75/712741775.db2.gz YYBGJBFHLQOMBN-GJZGRUSLSA-N 0 0 231.339 2.743 50 0 BFAARN Cc1cc(C2(C(=O)Nc3ccccc3)CC2)no1 ZINC000409417246 972013403 /nfs/dbraw/zinc/01/34/03/972013403.db2.gz CDAZYRHWZNZMEG-UHFFFAOYSA-N 0 0 242.278 2.653 50 0 BFAARN C[C@@H](CO)SCc1nsc2ccccc12 ZINC000585118484 972147814 /nfs/dbraw/zinc/14/78/14/972147814.db2.gz QJUKYIPCDVTZPW-QMMMGPOBSA-N 0 0 239.365 2.910 50 0 BFAARN Cc1nocc1NC(=O)N[C@H]1CC12CCCCC2 ZINC000585119530 972153005 /nfs/dbraw/zinc/15/30/05/972153005.db2.gz JWUXVPXHLZPHIC-NSHDSACASA-N 0 0 249.314 2.827 50 0 BFAARN Cc1ccsc1COc1ccc(C)nn1 ZINC000585652448 959539683 /nfs/dbraw/zinc/53/96/83/959539683.db2.gz ZZQPWQITIBPTDT-UHFFFAOYSA-N 0 0 220.297 2.734 50 0 BFAARN C=CC(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000952884418 967112785 /nfs/dbraw/zinc/11/27/85/967112785.db2.gz CTYQZABWTVQVGX-SECBINFHSA-N 0 0 217.259 2.504 50 0 BFAARN Cc1cc(/C=C/Br)cnc1F ZINC000685964350 968090389 /nfs/dbraw/zinc/09/03/89/968090389.db2.gz BNARJTMSWPFFMP-NSCUHMNNSA-N 0 0 216.053 2.895 50 0 BFAARN COc1nccnc1-c1ccc2oc(C)nc2c1 ZINC000200510321 970114754 /nfs/dbraw/zinc/11/47/54/970114754.db2.gz BEPYFTYYCDGIOF-UHFFFAOYSA-N 0 0 241.250 2.602 50 0 BFAARN Nc1ccccc1-c1cnc2ccccc2n1 ZINC000200539938 970122007 /nfs/dbraw/zinc/12/20/07/970122007.db2.gz MGSWIMFFICBFOJ-UHFFFAOYSA-N 0 0 221.263 2.879 50 0 BFAARN Cc1ccsc1COc1ccnc(C)n1 ZINC000585652472 973918137 /nfs/dbraw/zinc/91/81/37/973918137.db2.gz NRKSKJROFXPQQU-UHFFFAOYSA-N 0 0 220.297 2.734 50 0 BFAARN Cc1ccnc(O[C@@H]2CCc3ccccc32)n1 ZINC000585652336 973918224 /nfs/dbraw/zinc/91/82/24/973918224.db2.gz XLKQLZJJWQPEFQ-CYBMUJFWSA-N 0 0 226.279 2.851 50 0 BFAARN CC(C)(C)c1ccc(O[C@H]2CCSC2)nn1 ZINC000585652636 973920024 /nfs/dbraw/zinc/92/00/24/973920024.db2.gz QROODKZXNBSORA-VIFPVBQESA-N 0 0 238.356 2.658 50 0 BFAARN C=CC(=O)N1C[C@@H](c2ccsc2)C[C@H]1C ZINC000952834757 974050468 /nfs/dbraw/zinc/05/04/68/974050468.db2.gz LECGJEFCAQCBFY-KOLCDFICSA-N 0 0 221.325 2.639 50 0 BFAARN C=CC(=O)N1C[C@H](c2ccsc2)C[C@@H]1C ZINC000952834756 974053612 /nfs/dbraw/zinc/05/36/12/974053612.db2.gz LECGJEFCAQCBFY-GXSJLCMTSA-N 0 0 221.325 2.639 50 0 BFAARN COc1ccc(N[C@@H]2COC[C@@H]2C)cc1Cl ZINC000687996754 985452376 /nfs/dbraw/zinc/45/23/76/985452376.db2.gz KRPUYNMAUAYVBK-GZMMTYOYSA-N 0 0 241.718 2.795 50 0 BFAARN CC[C@H](Cn1ccnc1)[NH2+]Cc1cc(C)c(C)o1 ZINC001506405547 988771746 /nfs/dbraw/zinc/77/17/46/988771746.db2.gz FZCAJJLMSZSQJK-CYBMUJFWSA-N 0 0 247.342 2.661 50 0 BFAARN CC[C@@H](Cn1ccnc1)[NH2+]Cc1cc(C)c(C)o1 ZINC001506405549 988772085 /nfs/dbraw/zinc/77/20/85/988772085.db2.gz FZCAJJLMSZSQJK-ZDUSSCGKSA-N 0 0 247.342 2.661 50 0 BFAARN CN(CC(C)(C)CO)c1ccc2ccccc2n1 ZINC001506396427 988775984 /nfs/dbraw/zinc/77/59/84/988775984.db2.gz IPNJWJQHVPQTQA-UHFFFAOYSA-N 0 0 244.338 2.690 50 0 BFAARN CCn1nc(C)nc1-c1cc(C)c(OC)c(C)c1 ZINC001506410007 988777829 /nfs/dbraw/zinc/77/78/29/988777829.db2.gz CGMXATSRVIJSNB-UHFFFAOYSA-N 0 0 245.326 2.899 50 0 BFAARN CCc1nc2cc(-c3ccncc3)cnc2[nH]1 ZINC001506421945 988780820 /nfs/dbraw/zinc/78/08/20/988780820.db2.gz LVEFKSVFRJCMLH-UHFFFAOYSA-N 0 0 224.267 2.582 50 0 BFAARN Cc1csc(CN(C)c2ccncc2F)n1 ZINC001506429626 988784919 /nfs/dbraw/zinc/78/49/19/988784919.db2.gz SIPUTSOOOIELHK-UHFFFAOYSA-N 0 0 237.303 2.622 50 0 BFAARN CCCc1cnc(C)nc1NC[C@H]1CCCOC1 ZINC001529105409 990330087 /nfs/dbraw/zinc/33/00/87/990330087.db2.gz ATDZWBZPGJRJBM-GFCCVEGCSA-N 0 0 249.358 2.576 50 0 BFAARN